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 2wvh_1_B DATA FIRST_RESID 2 DATA SEQUENCE SYTVGTYLAE RLVQIGLKHH FAVAGDYNLV LLDNLLLNKN MEQVYCCNEL DATA SEQUENCE NCGFSAEGYA RAKGAAAAVV TYSVGALSAF DAIGGAYAEN LPVILISGAP DATA SEQUENCE NNNDHAAGHV LHHALGKTDY HYQLEMAKNI TAAAEAIYTP EEAPAKIDHV DATA SEQUENCE IKTALREKKP VYLEIACNIA SMPCAAPGPA SALFNDEASD EASLNAAVEE DATA SEQUENCE TLKFIANRDK VAVLVGSKLR AAGAEEAAVK FADALGGAVA TMAAAKSFFP DATA SEQUENCE EENPHYIGTS WGEVSYPGVE KTMKEADAVI ALAPVFNDYS TTGWTDIPDP DATA SEQUENCE KKLVLAEPRS VVVNGIRFPS VHLKDYLTRL AQKVSKKTGA LDFFKSLNAG DATA SEQUENCE ELKKAAPADP SAPLVNAEIA RQVEALLTPN TTVIAETGDS WFNAQRMKLP DATA SEQUENCE NGARVEYEMQ WGHIGWSVPA AFGYAVGAPE RRNILMVGDG SFQLTAQEVA DATA SEQUENCE QMVRLKLPVI IFLINNYGYT IEVMIHDGPY NNIKNWDYAG LMEVFNGNGG DATA SEQUENCE YDSGAGKGLK AKTGGELAEA IKVALANTDG PTLIECFIGR EDCTEELVKW DATA SEQUENCE GKRVAAANSR KPVNK 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 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.513 174.600 -0.146 0.000 1.055 2 S CA 0.000 58.182 58.200 -0.029 0.000 1.107 2 S CB 0.000 63.216 63.200 0.026 0.000 0.593 3 Y N 1.079 121.407 120.300 0.046 0.000 2.487 3 Y HA 0.747 5.316 4.550 0.032 0.000 0.337 3 Y C 1.156 177.094 175.900 0.062 0.000 1.076 3 Y CA 0.080 58.220 58.100 0.066 0.000 1.115 3 Y CB 2.202 40.736 38.460 0.123 0.000 1.235 3 Y HN 1.027 nan 8.280 nan 0.000 0.468 4 T N -2.830 111.852 114.554 0.213 0.000 2.949 4 T HA 0.365 4.734 4.350 0.032 0.000 0.287 4 T C 0.817 175.613 174.700 0.160 0.000 1.034 4 T CA -0.742 61.439 62.100 0.136 0.000 1.018 4 T CB 1.016 69.928 68.868 0.073 0.000 1.135 4 T HN 0.338 nan 8.240 nan 0.000 0.532 5 V N 1.511 121.472 119.914 0.078 0.000 2.282 5 V HA -0.095 4.044 4.120 0.032 0.000 0.249 5 V C 2.881 179.028 176.094 0.087 0.000 1.057 5 V CA 2.653 64.978 62.300 0.042 0.000 1.032 5 V CB -1.507 30.313 31.823 -0.006 0.000 0.645 5 V HN 1.109 nan 8.190 nan 0.000 0.447 6 G N -0.113 108.730 108.800 0.073 0.000 2.402 6 G HA2 -0.257 3.722 3.960 0.032 0.000 0.216 6 G HA3 -0.257 3.722 3.960 0.032 0.000 0.216 6 G C 1.730 176.684 174.900 0.091 0.000 1.162 6 G CA 1.564 46.700 45.100 0.060 0.000 0.777 6 G HN 0.593 nan 8.290 nan 0.000 0.539 7 T N -2.864 111.774 114.554 0.140 0.000 3.023 7 T HA -0.025 4.344 4.350 0.032 0.000 0.266 7 T C 2.048 176.940 174.700 0.321 0.000 1.093 7 T CA 0.939 63.146 62.100 0.178 0.000 1.129 7 T CB -0.303 68.632 68.868 0.111 0.000 0.899 7 T HN 0.258 nan 8.240 nan 0.000 0.491 8 Y N 1.717 122.133 120.300 0.193 0.000 2.163 8 Y HA 0.062 4.631 4.550 0.032 0.000 0.288 8 Y C 2.156 178.047 175.900 -0.016 0.000 1.136 8 Y CA 1.123 59.249 58.100 0.042 0.000 1.147 8 Y CB -0.579 37.868 38.460 -0.021 0.000 0.987 8 Y HN 0.215 nan 8.280 nan 0.000 0.509 9 L N 0.688 122.054 121.223 0.239 0.000 2.042 9 L HA -0.140 4.219 4.340 0.032 0.000 0.210 9 L C 2.400 179.265 176.870 -0.009 0.000 1.076 9 L CA 2.258 57.157 54.840 0.097 0.000 0.749 9 L CB -1.398 40.684 42.059 0.038 0.000 0.893 9 L HN 0.261 nan 8.230 nan 0.000 0.432 10 A N -0.747 122.069 122.820 -0.008 0.000 1.883 10 A HA -0.262 4.077 4.320 0.032 0.000 0.217 10 A C 2.264 179.830 177.584 -0.031 0.000 1.186 10 A CA 1.791 53.801 52.037 -0.044 0.000 0.624 10 A CB -0.784 18.206 19.000 -0.017 0.000 0.822 10 A HN 0.571 nan 8.150 nan 0.000 0.444 11 E N -0.112 120.078 120.200 -0.017 0.000 2.077 11 E HA -0.178 4.191 4.350 0.032 0.000 0.193 11 E C 2.172 178.702 176.600 -0.118 0.000 0.989 11 E CA 1.273 57.642 56.400 -0.051 0.000 0.800 11 E CB -0.173 29.486 29.700 -0.067 0.000 0.746 11 E HN 0.366 nan 8.360 nan 0.000 0.452 12 R N 0.157 120.550 120.500 -0.179 0.000 2.081 12 R HA -0.077 4.282 4.340 0.032 0.000 0.235 12 R C 2.532 178.786 176.300 -0.077 0.000 1.131 12 R CA 1.188 57.197 56.100 -0.151 0.000 0.960 12 R CB -1.037 29.181 30.300 -0.137 0.000 0.856 12 R HN 0.343 nan 8.270 nan 0.000 0.436 13 L N 0.130 121.318 121.223 -0.058 0.000 2.046 13 L HA -0.156 4.203 4.340 0.032 0.000 0.208 13 L C 2.483 179.355 176.870 0.003 0.000 1.077 13 L CA 1.034 55.857 54.840 -0.028 0.000 0.747 13 L CB -0.608 41.422 42.059 -0.049 0.000 0.896 13 L HN -0.052 nan 8.230 nan 0.000 0.432 14 V N -0.398 119.512 119.914 -0.007 0.000 2.343 14 V HA -0.305 3.834 4.120 0.032 0.000 0.247 14 V C 2.465 178.575 176.094 0.026 0.000 1.051 14 V CA 1.679 63.984 62.300 0.008 0.000 1.036 14 V CB -0.518 31.303 31.823 -0.003 0.000 0.654 14 V HN 0.505 nan 8.190 nan 0.000 0.451 15 Q N -0.239 119.569 119.800 0.013 0.000 2.170 15 Q HA -0.143 4.216 4.340 0.032 0.000 0.203 15 Q C 2.099 178.193 176.000 0.157 0.000 0.976 15 Q CA 1.907 57.741 55.803 0.051 0.000 0.858 15 Q CB -0.244 28.497 28.738 0.006 0.000 0.907 15 Q HN 0.873 nan 8.270 nan 0.000 0.433 16 I N -4.304 116.343 120.570 0.128 0.000 3.684 16 I HA 0.283 4.472 4.170 0.032 0.000 0.304 16 I C 0.941 177.212 176.117 0.256 0.000 1.278 16 I CA 0.795 62.244 61.300 0.249 0.000 1.272 16 I CB 0.100 38.110 38.000 0.018 0.000 1.029 16 I HN 0.184 nan 8.210 nan 0.000 0.458 17 G N 1.364 110.254 108.800 0.150 0.000 2.168 17 G HA2 -0.167 3.812 3.960 0.032 0.000 0.197 17 G HA3 -0.167 3.812 3.960 0.032 0.000 0.197 17 G C -0.240 174.731 174.900 0.119 0.000 0.997 17 G CA -0.364 44.801 45.100 0.107 0.000 0.658 17 G HN 0.217 nan 8.290 nan 0.000 0.513 18 L N 0.702 122.008 121.223 0.138 0.000 2.410 18 L HA 0.470 4.829 4.340 0.032 0.000 0.273 18 L C 1.421 178.360 176.870 0.115 0.000 1.152 18 L CA 0.351 55.308 54.840 0.195 0.000 0.855 18 L CB 1.056 43.205 42.059 0.151 0.000 1.129 18 L HN -0.001 nan 8.230 nan 0.000 0.463 19 K N 1.927 122.428 120.400 0.168 0.000 2.355 19 K HA 0.246 4.585 4.320 0.032 0.000 0.198 19 K C -0.364 175.936 176.600 -0.500 0.000 1.039 19 K CA 0.110 56.334 56.287 -0.105 0.000 1.075 19 K CB 0.341 32.801 32.500 -0.067 0.000 0.870 19 K HN 0.612 nan 8.250 nan 0.000 0.540 20 H N -0.450 118.535 119.070 -0.141 0.000 3.012 20 H HA 0.347 4.921 4.556 0.031 0.000 0.367 20 H C -0.426 174.572 175.328 -0.551 0.000 1.211 20 H CA -0.954 54.800 56.048 -0.490 0.000 1.139 20 H CB 1.344 30.643 29.762 -0.771 0.000 1.838 20 H HN 0.046 nan 8.280 nan 0.000 0.550 21 H N 0.317 119.098 119.070 -0.482 0.000 2.821 21 H HA 0.478 5.053 4.556 0.032 0.000 0.373 21 H C -1.547 173.455 175.328 -0.543 0.000 1.165 21 H CA -0.933 54.877 56.048 -0.396 0.000 1.154 21 H CB 1.285 30.947 29.762 -0.167 0.000 1.765 21 H HN 0.352 nan 8.280 nan 0.000 0.549 22 F N 0.693 120.590 119.950 -0.088 0.000 2.450 22 F HA 0.687 5.233 4.527 0.031 0.000 0.332 22 F C 0.290 176.102 175.800 0.019 0.000 1.093 22 F CA -0.380 57.566 58.000 -0.090 0.000 1.003 22 F CB 2.108 41.084 39.000 -0.041 0.000 1.151 22 F HN 0.857 nan 8.300 nan 0.000 0.474 23 A N 1.543 124.468 122.820 0.176 0.000 2.549 23 A HA 0.818 5.157 4.320 0.032 0.000 0.297 23 A C -1.926 175.813 177.584 0.258 0.000 1.061 23 A CA -0.708 51.456 52.037 0.212 0.000 0.690 23 A CB 1.596 20.731 19.000 0.225 0.000 1.287 23 A HN 0.493 nan 8.150 nan 0.000 0.402 24 V N 1.711 121.740 119.914 0.191 0.000 2.443 24 V HA 0.623 4.762 4.120 0.032 0.000 0.293 24 V C 0.679 176.837 176.094 0.106 0.000 1.021 24 V CA -0.314 62.072 62.300 0.144 0.000 0.848 24 V CB 1.166 33.039 31.823 0.084 0.000 0.998 24 V HN 1.454 nan 8.190 nan 0.000 0.424 25 A N 3.698 126.567 122.820 0.080 0.000 2.498 25 A HA 0.758 5.097 4.320 0.032 0.000 0.239 25 A C 0.651 178.248 177.584 0.022 0.000 1.068 25 A CA 0.708 52.771 52.037 0.043 0.000 0.766 25 A CB 0.350 19.340 19.000 -0.017 0.000 1.003 25 A HN 1.352 nan 8.150 nan 0.000 0.497 26 G N 0.294 109.111 108.800 0.028 0.000 2.677 26 G HA2 0.464 4.443 3.960 0.032 0.000 0.291 26 G HA3 0.464 4.443 3.960 0.032 0.000 0.291 26 G C -0.058 174.852 174.900 0.017 0.000 1.435 26 G CA 0.205 45.312 45.100 0.012 0.000 0.826 26 G HN 0.674 nan 8.290 nan 0.000 0.491 27 D N -0.963 119.424 120.400 -0.022 0.000 2.350 27 D HA -0.119 4.540 4.640 0.032 0.000 0.216 27 D C 0.831 177.057 176.300 -0.124 0.000 0.968 27 D CA 1.017 54.960 54.000 -0.095 0.000 0.894 27 D CB -0.034 40.673 40.800 -0.156 0.000 0.909 27 D HN 0.333 nan 8.370 nan 0.000 0.520 28 Y N 0.552 120.906 120.300 0.090 0.000 2.466 28 Y HA 0.130 4.701 4.550 0.036 0.000 0.272 28 Y C 1.141 177.072 175.900 0.051 0.000 1.169 28 Y CA 0.320 58.463 58.100 0.073 0.000 1.285 28 Y CB -0.081 38.439 38.460 0.101 0.000 1.078 28 Y HN 0.155 nan 8.280 nan 0.000 0.523 29 N N -1.603 117.195 118.700 0.163 0.000 2.143 29 N HA 0.044 4.803 4.740 0.032 0.000 0.229 29 N C 0.836 176.395 175.510 0.082 0.000 1.294 29 N CA 0.142 53.261 53.050 0.115 0.000 0.883 29 N CB -0.836 37.716 38.487 0.107 0.000 1.148 29 N HN 0.232 nan 8.380 nan 0.000 0.511 30 L N -0.007 121.254 121.223 0.063 0.000 2.017 30 L HA -0.066 4.293 4.340 0.032 0.000 0.208 30 L C 1.900 178.798 176.870 0.047 0.000 1.073 30 L CA 1.170 56.037 54.840 0.045 0.000 0.745 30 L CB -0.431 41.639 42.059 0.019 0.000 0.894 30 L HN 0.023 nan 8.230 nan 0.000 0.432 31 V N -0.116 119.824 119.914 0.045 0.000 2.358 31 V HA -0.271 3.868 4.120 0.032 0.000 0.246 31 V C 2.408 178.528 176.094 0.042 0.000 1.047 31 V CA 1.458 63.782 62.300 0.039 0.000 1.035 31 V CB -0.411 31.434 31.823 0.037 0.000 0.658 31 V HN 0.309 nan 8.190 nan 0.000 0.452 32 L N -0.078 121.173 121.223 0.047 0.000 2.013 32 L HA -0.192 4.167 4.340 0.032 0.000 0.212 32 L C 2.224 179.121 176.870 0.044 0.000 1.073 32 L CA 1.986 56.849 54.840 0.038 0.000 0.753 32 L CB -0.642 41.438 42.059 0.035 0.000 0.890 32 L HN 0.209 nan 8.230 nan 0.000 0.432 33 L N -0.764 120.500 121.223 0.070 0.000 2.042 33 L HA -0.236 4.123 4.340 0.032 0.000 0.210 33 L C 2.317 179.245 176.870 0.096 0.000 1.076 33 L CA 1.427 56.331 54.840 0.108 0.000 0.749 33 L CB -0.942 41.202 42.059 0.141 0.000 0.893 33 L HN 0.327 nan 8.230 nan 0.000 0.432 34 D N -0.003 120.437 120.400 0.067 0.000 2.104 34 D HA -0.181 4.478 4.640 0.032 0.000 0.194 34 D C 1.970 178.295 176.300 0.042 0.000 0.994 34 D CA 1.108 55.139 54.000 0.052 0.000 0.830 34 D CB -0.319 40.502 40.800 0.035 0.000 0.959 34 D HN 0.340 nan 8.370 nan 0.000 0.452 35 N N 0.385 119.106 118.700 0.035 0.000 2.166 35 N HA -0.078 4.681 4.740 0.032 0.000 0.186 35 N C 2.125 177.649 175.510 0.023 0.000 1.019 35 N CA 0.464 53.530 53.050 0.026 0.000 0.856 35 N CB -0.063 38.441 38.487 0.029 0.000 0.993 35 N HN 0.218 nan 8.380 nan 0.000 0.426 36 L N 1.083 122.317 121.223 0.019 0.000 2.083 36 L HA -0.111 4.248 4.340 0.032 0.000 0.209 36 L C 2.284 179.193 176.870 0.064 0.000 1.083 36 L CA 0.684 55.521 54.840 -0.006 0.000 0.752 36 L CB -0.357 41.645 42.059 -0.096 0.000 0.899 36 L HN 0.138 nan 8.230 nan 0.000 0.433 37 L N -0.507 120.766 121.223 0.084 0.000 2.265 37 L HA -0.208 4.151 4.340 0.032 0.000 0.215 37 L C 2.376 179.267 176.870 0.035 0.000 1.117 37 L CA 0.823 55.707 54.840 0.073 0.000 0.782 37 L CB -0.278 41.826 42.059 0.074 0.000 0.914 37 L HN 0.310 nan 8.230 nan 0.000 0.441 38 L N -0.731 120.504 121.223 0.022 0.000 2.201 38 L HA -0.139 4.220 4.340 0.032 0.000 0.212 38 L C 1.182 178.047 176.870 -0.008 0.000 1.105 38 L CA 0.406 55.246 54.840 -0.000 0.000 0.775 38 L CB -0.448 41.603 42.059 -0.013 0.000 0.913 38 L HN 0.299 nan 8.230 nan 0.000 0.440 39 N N 1.000 119.702 118.700 0.004 0.000 2.406 39 N HA 0.002 4.761 4.740 0.032 0.000 0.251 39 N C 0.454 175.960 175.510 -0.006 0.000 1.069 39 N CA 0.080 53.129 53.050 -0.001 0.000 0.947 39 N CB 0.982 39.473 38.487 0.008 0.000 1.111 39 N HN -0.015 nan 8.380 nan 0.000 0.497 40 K N 2.249 122.638 120.400 -0.018 0.000 2.444 40 K HA 0.117 4.456 4.320 0.032 0.000 0.193 40 K C 0.313 176.887 176.600 -0.044 0.000 1.024 40 K CA 0.077 56.346 56.287 -0.030 0.000 1.077 40 K CB 0.250 32.734 32.500 -0.027 0.000 0.833 40 K HN 0.497 nan 8.250 nan 0.000 0.517 41 N N 1.129 119.806 118.700 -0.039 0.000 2.398 41 N HA 0.024 4.783 4.740 0.032 0.000 0.188 41 N C 0.672 176.135 175.510 -0.079 0.000 1.122 41 N CA 0.283 53.303 53.050 -0.049 0.000 0.866 41 N CB 0.230 38.700 38.487 -0.030 0.000 0.970 41 N HN 0.381 nan 8.380 nan 0.000 0.462 42 M N -1.681 117.866 119.600 -0.088 0.000 2.569 42 M HA 0.488 4.987 4.480 0.032 0.000 0.279 42 M C -1.571 174.612 176.300 -0.194 0.000 1.253 42 M CA -0.807 54.398 55.300 -0.160 0.000 0.867 42 M CB 2.526 35.081 32.600 -0.074 0.000 1.727 42 M HN -0.299 nan 8.290 nan 0.000 0.467 43 E N 1.119 121.102 120.200 -0.361 0.000 2.214 43 E HA 0.342 4.711 4.350 0.032 0.000 0.274 43 E C -1.427 174.848 176.600 -0.542 0.000 0.977 43 E CA -0.803 55.391 56.400 -0.343 0.000 0.827 43 E CB 2.263 31.789 29.700 -0.290 0.000 1.130 43 E HN 0.614 nan 8.360 nan 0.000 0.394 44 Q N 1.994 121.457 119.800 -0.563 0.000 2.331 44 Q HA 0.303 4.662 4.340 0.032 0.000 0.257 44 Q C -1.409 174.021 176.000 -0.950 0.000 0.957 44 Q CA -0.487 54.770 55.803 -0.909 0.000 0.923 44 Q CB 1.052 29.468 28.738 -0.537 0.000 1.212 44 Q HN 0.261 nan 8.270 nan 0.000 0.443 45 V N 5.352 124.686 119.914 -0.967 0.000 2.398 45 V HA 0.329 4.468 4.120 0.032 0.000 0.286 45 V C -0.947 174.813 176.094 -0.557 0.000 1.026 45 V CA -0.681 61.185 62.300 -0.723 0.000 0.868 45 V CB 0.736 32.159 31.823 -0.666 0.000 0.982 45 V HN 0.657 nan 8.190 nan 0.000 0.443 46 Y N 2.524 122.854 120.300 0.049 0.000 2.352 46 Y HA 0.629 5.197 4.550 0.031 0.000 0.326 46 Y C 0.516 176.484 175.900 0.112 0.000 1.166 46 Y CA -0.701 57.442 58.100 0.072 0.000 1.182 46 Y CB 1.232 39.705 38.460 0.022 0.000 1.216 46 Y HN 0.559 nan 8.280 nan 0.000 0.474 47 C N 0.337 119.782 119.300 0.243 0.000 2.719 47 C HA 0.381 4.860 4.460 0.032 0.000 0.327 47 C C 1.490 176.509 174.990 0.047 0.000 1.238 47 C CA -0.765 58.321 59.018 0.113 0.000 1.727 47 C CB 1.408 29.234 27.740 0.144 0.000 2.256 47 C HN 1.117 nan 8.230 nan 0.000 0.489 48 C N 1.577 120.858 119.300 -0.032 0.000 2.548 48 C HA -0.023 4.456 4.460 0.032 0.000 0.284 48 C C 1.070 176.059 174.990 -0.002 0.000 1.252 48 C CA 1.098 60.095 59.018 -0.035 0.000 1.725 48 C CB -1.460 26.233 27.740 -0.077 0.000 2.098 48 C HN 1.013 nan 8.230 nan 0.000 0.471 49 N N -0.067 118.634 118.700 0.002 0.000 2.545 49 N HA 0.339 5.098 4.740 0.032 0.000 0.289 49 N C -0.271 175.246 175.510 0.012 0.000 1.279 49 N CA -0.566 52.491 53.050 0.011 0.000 0.824 49 N CB 0.394 38.890 38.487 0.015 0.000 1.395 49 N HN 0.055 nan 8.380 nan 0.000 0.526 50 E N -0.555 119.644 120.200 -0.002 0.000 2.208 50 E HA 0.014 4.383 4.350 0.032 0.000 0.193 50 E C 1.367 177.935 176.600 -0.053 0.000 0.988 50 E CA 0.356 56.745 56.400 -0.018 0.000 0.828 50 E CB -0.191 29.485 29.700 -0.040 0.000 0.763 50 E HN 0.535 nan 8.360 nan 0.000 0.478 51 L N 1.106 122.298 121.223 -0.052 0.000 2.017 51 L HA -0.161 4.198 4.340 0.032 0.000 0.208 51 L C 1.356 178.163 176.870 -0.105 0.000 1.073 51 L CA 1.794 56.566 54.840 -0.113 0.000 0.745 51 L CB -0.473 41.578 42.059 -0.013 0.000 0.894 51 L HN 0.039 nan 8.230 nan 0.000 0.432 52 N N -1.083 117.629 118.700 0.021 0.000 2.188 52 N HA -0.193 4.566 4.740 0.032 0.000 0.184 52 N C 2.037 177.571 175.510 0.041 0.000 1.018 52 N CA 1.401 54.499 53.050 0.079 0.000 0.858 52 N CB -1.081 37.428 38.487 0.037 0.000 0.989 52 N HN 0.541 nan 8.380 nan 0.000 0.426 53 C N 0.630 119.939 119.300 0.016 0.000 2.413 53 C HA -0.029 4.450 4.460 0.032 0.000 0.276 53 C C 2.746 177.706 174.990 -0.050 0.000 1.236 53 C CA 1.405 60.440 59.018 0.028 0.000 1.735 53 C CB -1.279 26.501 27.740 0.068 0.000 2.031 53 C HN 0.515 nan 8.230 nan 0.000 0.474 54 G N -0.877 107.868 108.800 -0.092 0.000 2.421 54 G HA2 -0.149 3.830 3.960 0.032 0.000 0.216 54 G HA3 -0.149 3.830 3.960 0.032 0.000 0.216 54 G C 1.333 176.171 174.900 -0.104 0.000 1.171 54 G CA 0.815 45.831 45.100 -0.140 0.000 0.775 54 G HN 0.479 nan 8.290 nan 0.000 0.543 55 F N 1.756 121.697 119.950 -0.014 0.000 2.293 55 F HA 0.037 4.585 4.527 0.034 0.000 0.300 55 F C 2.998 178.736 175.800 -0.103 0.000 1.086 55 F CA 0.849 58.852 58.000 0.005 0.000 1.375 55 F CB -0.487 38.522 39.000 0.013 0.000 1.045 55 F HN 0.084 nan 8.300 nan 0.000 0.516 56 S N -0.057 115.624 115.700 -0.032 0.000 2.368 56 S HA -0.151 4.338 4.470 0.032 0.000 0.225 56 S C 2.415 176.619 174.600 -0.660 0.000 1.030 56 S CA 1.062 59.066 58.200 -0.327 0.000 0.999 56 S CB -0.638 62.324 63.200 -0.397 0.000 0.844 56 S HN 0.348 nan 8.310 nan 0.000 0.459 57 A N 1.480 123.937 122.820 -0.606 0.000 1.933 57 A HA -0.134 4.205 4.320 0.032 0.000 0.218 57 A C 2.084 179.675 177.584 0.012 0.000 1.175 57 A CA 1.414 53.266 52.037 -0.309 0.000 0.628 57 A CB -0.527 18.430 19.000 -0.071 0.000 0.814 57 A HN 0.452 nan 8.150 nan 0.000 0.444 58 E N -0.078 120.170 120.200 0.079 0.000 2.058 58 E HA -0.171 4.198 4.350 0.032 0.000 0.194 58 E C 2.159 178.904 176.600 0.243 0.000 0.997 58 E CA 1.438 57.967 56.400 0.215 0.000 0.801 58 E CB -0.491 29.439 29.700 0.384 0.000 0.746 58 E HN 0.502 nan 8.360 nan 0.000 0.450 59 G N -0.295 108.616 108.800 0.185 0.000 2.418 59 G HA2 -0.296 3.683 3.960 0.032 0.000 0.217 59 G HA3 -0.296 3.683 3.960 0.032 0.000 0.217 59 G C 1.530 176.551 174.900 0.201 0.000 1.158 59 G CA 0.843 46.060 45.100 0.195 0.000 0.771 59 G HN 0.369 nan 8.290 nan 0.000 0.545 60 Y N 1.915 122.206 120.300 -0.015 0.000 2.181 60 Y HA -0.015 4.554 4.550 0.031 0.000 0.288 60 Y C 2.914 178.830 175.900 0.027 0.000 1.146 60 Y CA 1.397 59.495 58.100 -0.002 0.000 1.164 60 Y CB -0.198 38.337 38.460 0.126 0.000 0.982 60 Y HN 0.245 nan 8.280 nan 0.000 0.515 61 A N 0.255 123.204 122.820 0.214 0.000 2.019 61 A HA -0.176 4.163 4.320 0.032 0.000 0.219 61 A C 2.218 179.842 177.584 0.066 0.000 1.164 61 A CA 1.581 53.699 52.037 0.134 0.000 0.644 61 A CB -0.535 18.558 19.000 0.153 0.000 0.805 61 A HN 0.538 nan 8.150 nan 0.000 0.449 62 R N -0.739 119.838 120.500 0.127 0.000 2.148 62 R HA 0.017 4.376 4.340 0.032 0.000 0.227 62 R C 2.264 178.609 176.300 0.076 0.000 1.103 62 R CA 1.073 57.279 56.100 0.177 0.000 0.983 62 R CB -0.256 30.256 30.300 0.354 0.000 0.874 62 R HN 0.510 nan 8.270 nan 0.000 0.451 63 A N 0.489 123.200 122.820 -0.181 0.000 1.943 63 A HA 0.017 4.356 4.320 0.032 0.000 0.213 63 A C 1.565 178.927 177.584 -0.371 0.000 1.181 63 A CA 0.817 52.551 52.037 -0.504 0.000 0.653 63 A CB 0.319 18.693 19.000 -1.042 0.000 0.833 63 A HN -0.021 nan 8.150 nan 0.000 0.451 64 K N -2.060 118.123 120.400 -0.362 0.000 2.402 64 K HA 0.276 4.615 4.320 0.032 0.000 0.203 64 K C 1.135 177.671 176.600 -0.106 0.000 1.077 64 K CA 0.819 56.937 56.287 -0.282 0.000 1.051 64 K CB 0.993 33.227 32.500 -0.445 0.000 0.907 64 K HN 0.659 nan 8.250 nan 0.000 0.554 65 G N 1.069 109.834 108.800 -0.059 0.000 2.279 65 G HA2 -0.217 3.762 3.960 0.032 0.000 0.223 65 G HA3 -0.217 3.762 3.960 0.032 0.000 0.223 65 G C 0.227 175.157 174.900 0.050 0.000 1.015 65 G CA 0.107 45.207 45.100 0.001 0.000 0.621 65 G HN 0.630 nan 8.290 nan 0.000 0.506 66 A N -0.969 121.906 122.820 0.091 0.000 2.602 66 A HA 1.155 5.494 4.320 0.032 0.000 0.290 66 A C -0.277 177.459 177.584 0.254 0.000 1.114 66 A CA 0.646 52.763 52.037 0.133 0.000 0.683 66 A CB 0.943 20.006 19.000 0.106 0.000 1.281 66 A HN 2.292 nan 8.150 nan 0.000 0.416 67 A N -1.105 121.850 122.820 0.226 0.000 2.586 67 A HA 1.015 5.354 4.320 0.032 0.000 0.290 67 A C -0.773 176.912 177.584 0.168 0.000 1.086 67 A CA 0.035 52.242 52.037 0.284 0.000 0.665 67 A CB 0.602 19.816 19.000 0.356 0.000 1.279 67 A HN 2.672 nan 8.150 nan 0.000 0.423 68 A N -0.604 122.320 122.820 0.173 0.000 2.520 68 A HA 0.965 5.304 4.320 0.032 0.000 0.298 68 A C -0.509 177.194 177.584 0.199 0.000 1.051 68 A CA 0.111 52.229 52.037 0.135 0.000 0.690 68 A CB 1.346 20.392 19.000 0.076 0.000 1.281 68 A HN 2.566 nan 8.150 nan 0.000 0.402 69 A N 1.119 124.025 122.820 0.144 0.000 2.374 69 A HA 0.716 5.055 4.320 0.032 0.000 0.305 69 A C -1.109 176.543 177.584 0.113 0.000 1.053 69 A CA -0.475 51.660 52.037 0.163 0.000 0.726 69 A CB 1.410 20.478 19.000 0.113 0.000 1.229 69 A HN 1.408 nan 8.150 nan 0.000 0.431 70 V N 3.267 123.262 119.914 0.134 0.000 2.409 70 V HA 0.647 4.786 4.120 0.032 0.000 0.291 70 V C 0.191 176.342 176.094 0.094 0.000 1.020 70 V CA -0.358 61.999 62.300 0.095 0.000 0.848 70 V CB 0.975 32.862 31.823 0.107 0.000 0.990 70 V HN 1.152 nan 8.190 nan 0.000 0.430 71 V N 1.622 121.574 119.914 0.062 0.000 3.156 71 V HA 0.795 4.934 4.120 0.032 0.000 0.311 71 V C -0.206 175.922 176.094 0.057 0.000 1.208 71 V CA -0.598 61.732 62.300 0.050 0.000 1.063 71 V CB 1.985 33.817 31.823 0.015 0.000 1.098 71 V HN 0.690 nan 8.190 nan 0.000 0.452 72 T N -0.493 114.088 114.554 0.046 0.000 2.912 72 T HA 0.508 4.877 4.350 0.032 0.000 0.280 72 T C -1.007 173.754 174.700 0.101 0.000 0.989 72 T CA -0.274 61.887 62.100 0.102 0.000 0.995 72 T CB 0.936 69.852 68.868 0.080 0.000 1.077 72 T HN 0.805 nan 8.240 nan 0.000 0.531 73 Y N 2.233 122.577 120.300 0.072 0.000 2.442 73 Y HA 0.291 4.857 4.550 0.027 0.000 0.330 73 Y C 1.452 177.362 175.900 0.018 0.000 1.129 73 Y CA 1.296 59.396 58.100 0.000 0.000 1.365 73 Y CB -0.028 38.337 38.460 -0.159 0.000 1.233 73 Y HN 0.980 nan 8.280 nan 0.000 0.529 74 S N 0.911 116.187 115.700 -0.708 0.000 1.577 74 S HA -0.357 4.132 4.470 0.032 0.000 0.240 74 S C 1.360 175.834 174.600 -0.210 0.000 0.755 74 S CA 2.029 59.946 58.200 -0.472 0.000 1.398 74 S CB -1.969 61.105 63.200 -0.209 0.000 1.552 74 S HN 1.148 nan 8.310 nan 0.000 0.510 75 V N 0.743 120.575 119.914 -0.138 0.000 2.427 75 V HA 0.172 4.311 4.120 0.032 0.000 0.248 75 V C 2.180 178.194 176.094 -0.135 0.000 1.051 75 V CA 2.518 64.741 62.300 -0.127 0.000 1.048 75 V CB -1.510 30.192 31.823 -0.201 0.000 0.666 75 V HN 0.696 nan 8.190 nan 0.000 0.456 76 G N -0.390 108.322 108.800 -0.146 0.000 2.471 76 G HA2 0.123 4.102 3.960 0.032 0.000 0.211 76 G HA3 0.123 4.102 3.960 0.032 0.000 0.211 76 G C 1.729 176.518 174.900 -0.185 0.000 1.194 76 G CA 0.851 45.879 45.100 -0.120 0.000 0.816 76 G HN 0.797 nan 8.290 nan 0.000 0.545 77 A N 0.507 123.173 122.820 -0.257 0.000 1.908 77 A HA 0.031 4.370 4.320 0.032 0.000 0.218 77 A C 2.376 179.469 177.584 -0.818 0.000 1.181 77 A CA 1.492 53.274 52.037 -0.425 0.000 0.627 77 A CB -0.499 18.273 19.000 -0.379 0.000 0.818 77 A HN 0.284 nan 8.150 nan 0.000 0.445 78 L N 0.768 121.578 121.223 -0.689 0.000 2.012 78 L HA -0.192 4.167 4.340 0.032 0.000 0.210 78 L C 3.034 179.718 176.870 -0.310 0.000 1.073 78 L CA 2.533 56.998 54.840 -0.626 0.000 0.748 78 L CB -0.794 41.106 42.059 -0.264 0.000 0.891 78 L HN 0.591 nan 8.230 nan 0.000 0.431 79 S N -1.189 114.401 115.700 -0.184 0.000 2.402 79 S HA -0.088 4.401 4.470 0.032 0.000 0.229 79 S C 2.119 176.676 174.600 -0.071 0.000 1.021 79 S CA 0.656 58.816 58.200 -0.066 0.000 0.974 79 S CB -0.747 62.432 63.200 -0.035 0.000 0.800 79 S HN 0.330 nan 8.310 nan 0.000 0.484 80 A N 1.303 124.045 122.820 -0.130 0.000 2.024 80 A HA 0.067 4.406 4.320 0.032 0.000 0.220 80 A C 1.799 179.415 177.584 0.054 0.000 1.164 80 A CA 1.138 53.125 52.037 -0.084 0.000 0.643 80 A CB -1.000 17.963 19.000 -0.061 0.000 0.806 80 A HN 0.478 nan 8.150 nan 0.000 0.451 81 F N 0.539 120.468 119.950 -0.035 0.000 2.202 81 F HA -0.160 4.389 4.527 0.036 0.000 0.301 81 F C 2.159 177.950 175.800 -0.014 0.000 1.082 81 F CA 1.082 59.067 58.000 -0.025 0.000 1.313 81 F CB -0.896 38.099 39.000 -0.007 0.000 1.024 81 F HN 0.334 nan 8.300 nan 0.000 0.495 82 D N 0.112 120.643 120.400 0.218 0.000 2.097 82 D HA -0.149 4.510 4.640 0.032 0.000 0.195 82 D C 2.255 178.600 176.300 0.074 0.000 0.989 82 D CA 1.449 55.616 54.000 0.278 0.000 0.827 82 D CB -0.174 40.793 40.800 0.279 0.000 0.966 82 D HN 0.179 nan 8.370 nan 0.000 0.456 83 A N 0.475 123.106 122.820 -0.315 0.000 1.969 83 A HA -0.090 4.249 4.320 0.032 0.000 0.218 83 A C 2.255 179.671 177.584 -0.279 0.000 1.169 83 A CA 0.722 52.374 52.037 -0.643 0.000 0.635 83 A CB -0.403 18.041 19.000 -0.926 0.000 0.810 83 A HN 0.262 nan 8.150 nan 0.000 0.445 84 I N 0.104 120.587 120.570 -0.146 0.000 2.252 84 I HA -0.146 4.043 4.170 0.032 0.000 0.245 84 I C 2.668 178.654 176.117 -0.218 0.000 1.102 84 I CA 1.349 62.596 61.300 -0.089 0.000 1.385 84 I CB -1.938 36.086 38.000 0.041 0.000 1.064 84 I HN 0.333 nan 8.210 nan 0.000 0.414 85 G N 0.739 109.334 108.800 -0.342 0.000 2.442 85 G HA2 -0.210 3.769 3.960 0.032 0.000 0.219 85 G HA3 -0.210 3.769 3.960 0.032 0.000 0.219 85 G C 1.760 175.816 174.900 -1.407 0.000 1.141 85 G CA 0.919 45.599 45.100 -0.701 0.000 0.763 85 G HN 0.475 nan 8.290 nan 0.000 0.554 86 G N 1.088 108.930 108.800 -1.598 0.000 2.418 86 G HA2 0.027 4.006 3.960 0.032 0.000 0.217 86 G HA3 0.027 4.006 3.960 0.032 0.000 0.217 86 G C 2.053 176.685 174.900 -0.446 0.000 1.158 86 G CA 1.531 45.780 45.100 -1.418 0.000 0.771 86 G HN 0.656 nan 8.290 nan 0.000 0.545 87 A N -0.349 122.335 122.820 -0.227 0.000 1.972 87 A HA -0.003 4.336 4.320 0.032 0.000 0.219 87 A C 2.195 179.737 177.584 -0.069 0.000 1.169 87 A CA 1.627 53.626 52.037 -0.062 0.000 0.635 87 A CB -0.586 18.410 19.000 -0.007 0.000 0.810 87 A HN 0.453 nan 8.150 nan 0.000 0.446 88 Y N 0.480 120.648 120.300 -0.221 0.000 2.163 88 Y HA -0.067 4.508 4.550 0.042 0.000 0.288 88 Y C 2.683 178.513 175.900 -0.117 0.000 1.136 88 Y CA 1.258 59.263 58.100 -0.158 0.000 1.147 88 Y CB -0.462 37.891 38.460 -0.179 0.000 0.987 88 Y HN 0.304 nan 8.280 nan 0.000 0.509 89 A N -0.161 122.696 122.820 0.062 0.000 1.972 89 A HA -0.141 4.198 4.320 0.032 0.000 0.219 89 A C 1.760 179.367 177.584 0.038 0.000 1.169 89 A CA 1.874 53.983 52.037 0.121 0.000 0.635 89 A CB -0.380 18.773 19.000 0.255 0.000 0.810 89 A HN 0.516 nan 8.150 nan 0.000 0.446 90 E N 0.084 120.274 120.200 -0.016 0.000 2.476 90 E HA 0.044 4.413 4.350 0.032 0.000 0.196 90 E C -0.545 176.043 176.600 -0.020 0.000 1.029 90 E CA -0.209 56.187 56.400 -0.007 0.000 0.896 90 E CB -0.169 29.535 29.700 0.007 0.000 1.012 90 E HN 0.600 nan 8.360 nan 0.000 0.475 91 N N 0.808 119.458 118.700 -0.083 0.000 2.738 91 N HA -0.202 4.557 4.740 0.032 0.000 0.249 91 N C -0.730 174.743 175.510 -0.062 0.000 1.047 91 N CA 0.629 53.612 53.050 -0.113 0.000 0.707 91 N CB -1.570 36.866 38.487 -0.084 0.000 0.937 91 N HN 0.219 nan 8.380 nan 0.000 0.545 92 L N 0.353 121.549 121.223 -0.044 0.000 2.333 92 L HA 0.429 4.788 4.340 0.032 0.000 0.280 92 L C -2.091 174.776 176.870 -0.005 0.000 1.004 92 L CA -1.818 53.024 54.840 0.004 0.000 0.820 92 L CB 2.016 44.111 42.059 0.061 0.000 1.247 92 L HN -0.228 nan 8.230 nan 0.000 0.416 93 P HA 0.087 nan 4.420 nan 0.000 0.256 93 P C -0.593 176.727 177.300 0.034 0.000 1.688 93 P CA -0.026 63.073 63.100 -0.001 0.000 1.162 93 P CB 0.202 31.898 31.700 -0.007 0.000 1.870 94 V N 5.069 125.007 119.914 0.039 0.000 2.407 94 V HA 0.284 4.423 4.120 0.032 0.000 0.278 94 V C 0.665 176.789 176.094 0.051 0.000 1.037 94 V CA -0.529 61.808 62.300 0.062 0.000 0.900 94 V CB 1.335 33.197 31.823 0.065 0.000 0.983 94 V HN 0.291 nan 8.190 nan 0.000 0.459 95 I N 5.947 126.549 120.570 0.052 0.000 2.297 95 I HA 0.289 4.478 4.170 0.032 0.000 0.291 95 I C -0.364 175.778 176.117 0.042 0.000 1.033 95 I CA -0.373 60.946 61.300 0.032 0.000 1.253 95 I CB 1.236 39.240 38.000 0.007 0.000 1.396 95 I HN 0.409 nan 8.210 nan 0.000 0.476 96 L N 8.961 130.217 121.223 0.055 0.000 2.260 96 L HA 0.507 4.866 4.340 0.032 0.000 0.289 96 L C -0.662 176.187 176.870 -0.035 0.000 1.057 96 L CA 0.101 54.980 54.840 0.066 0.000 0.811 96 L CB 0.542 42.708 42.059 0.177 0.000 1.184 96 L HN 0.384 nan 8.230 nan 0.000 0.429 97 I N 4.300 124.842 120.570 -0.047 0.000 2.362 97 I HA 0.403 4.592 4.170 0.032 0.000 0.289 97 I C 0.086 176.151 176.117 -0.086 0.000 0.994 97 I CA 0.062 61.290 61.300 -0.119 0.000 1.158 97 I CB 1.750 39.701 38.000 -0.082 0.000 1.315 97 I HN 0.577 nan 8.210 nan 0.000 0.451 98 S N 3.957 119.563 115.700 -0.156 0.000 2.472 98 S HA 0.772 5.261 4.470 0.032 0.000 0.303 98 S C 0.226 174.826 174.600 0.000 0.000 1.099 98 S CA -0.624 57.555 58.200 -0.035 0.000 1.077 98 S CB 1.038 64.256 63.200 0.029 0.000 1.031 98 S HN 0.791 nan 8.310 nan 0.000 0.487 99 G N 2.061 110.906 108.800 0.075 0.000 2.636 99 G HA2 0.584 4.563 3.960 0.032 0.000 0.246 99 G HA3 0.584 4.563 3.960 0.032 0.000 0.246 99 G C -0.204 174.755 174.900 0.099 0.000 1.216 99 G CA 0.122 45.287 45.100 0.107 0.000 0.854 99 G HN 1.140 nan 8.290 nan 0.000 0.572 100 A N 1.401 124.203 122.820 -0.031 0.000 2.593 100 A HA 0.882 5.221 4.320 0.032 0.000 0.290 100 A C -2.930 174.328 177.584 -0.543 0.000 1.126 100 A CA -1.315 50.536 52.037 -0.309 0.000 0.695 100 A CB 1.196 20.127 19.000 -0.116 0.000 1.290 100 A HN 0.511 nan 8.150 nan 0.000 0.414 101 P HA 0.021 nan 4.420 nan 0.000 0.269 101 P C -0.348 176.827 177.300 -0.209 0.000 1.217 101 P CA -0.312 62.356 63.100 -0.721 0.000 0.783 101 P CB 0.338 31.460 31.700 -0.962 0.000 0.898 102 N N 2.829 121.496 118.700 -0.055 0.000 2.292 102 N HA -0.114 4.645 4.740 0.032 0.000 0.258 102 N C 1.039 176.565 175.510 0.027 0.000 1.261 102 N CA 0.223 53.288 53.050 0.026 0.000 0.845 102 N CB 0.231 38.746 38.487 0.047 0.000 1.064 102 N HN 0.367 nan 8.380 nan 0.000 0.471 103 N N 3.722 122.490 118.700 0.112 0.000 2.520 103 N HA -0.133 4.626 4.740 0.032 0.000 0.185 103 N C 0.321 175.925 175.510 0.157 0.000 1.068 103 N CA 0.894 54.069 53.050 0.208 0.000 0.911 103 N CB -0.271 38.325 38.487 0.182 0.000 0.961 103 N HN 0.473 nan 8.380 nan 0.000 0.446 104 N N 0.543 119.291 118.700 0.079 0.000 2.494 104 N HA -0.052 4.707 4.740 0.032 0.000 0.182 104 N C -0.076 175.449 175.510 0.025 0.000 1.076 104 N CA 0.568 53.652 53.050 0.056 0.000 0.908 104 N CB 0.069 38.594 38.487 0.062 0.000 0.967 104 N HN 0.353 nan 8.380 nan 0.000 0.449 105 D N -0.115 120.264 120.400 -0.034 0.000 2.339 105 D HA 0.015 4.674 4.640 0.032 0.000 0.217 105 D C 0.211 176.389 176.300 -0.203 0.000 1.050 105 D CA 0.258 54.206 54.000 -0.088 0.000 0.856 105 D CB 0.198 40.916 40.800 -0.137 0.000 0.922 105 D HN 0.294 nan 8.370 nan 0.000 0.518 106 H N 0.475 119.517 119.070 -0.047 0.000 2.525 106 H HA 0.332 4.905 4.556 0.029 0.000 0.339 106 H C 1.036 176.327 175.328 -0.061 0.000 1.109 106 H CA -0.120 55.909 56.048 -0.032 0.000 1.352 106 H CB 1.441 31.109 29.762 -0.157 0.000 1.461 106 H HN -0.045 nan 8.280 nan 0.000 0.533 107 A N 1.999 124.865 122.820 0.077 0.000 2.704 107 A HA -0.217 4.122 4.320 0.032 0.000 0.299 107 A C 1.248 178.795 177.584 -0.062 0.000 1.507 107 A CA 1.150 53.192 52.037 0.008 0.000 0.776 107 A CB -1.862 17.140 19.000 0.003 0.000 1.027 107 A HN 0.856 nan 8.150 nan 0.000 0.475 108 A N -1.239 121.499 122.820 -0.137 0.000 2.508 108 A HA 0.585 4.924 4.320 0.032 0.000 0.250 108 A C 2.122 179.509 177.584 -0.329 0.000 1.208 108 A CA 1.251 53.085 52.037 -0.338 0.000 0.960 108 A CB -0.338 18.259 19.000 -0.672 0.000 1.099 108 A HN 2.603 nan 8.150 nan 0.000 0.542 109 G N 0.083 108.815 108.800 -0.113 0.000 2.198 109 G HA2 -0.272 3.707 3.960 0.032 0.000 0.260 109 G HA3 -0.272 3.707 3.960 0.032 0.000 0.260 109 G C -0.134 174.856 174.900 0.150 0.000 1.025 109 G CA 0.635 45.740 45.100 0.009 0.000 0.769 109 G HN 0.817 nan 8.290 nan 0.000 0.507 110 H N -1.056 118.065 119.070 0.085 0.000 2.488 110 H HA 0.459 5.034 4.556 0.032 0.000 0.322 110 H C -0.003 175.428 175.328 0.172 0.000 1.078 110 H CA -1.141 54.966 56.048 0.098 0.000 1.260 110 H CB 1.858 31.659 29.762 0.066 0.000 1.425 110 H HN 0.094 nan 8.280 nan 0.000 0.471 111 V N 6.139 126.205 119.914 0.253 0.000 2.432 111 V HA 0.154 4.293 4.120 0.032 0.000 0.275 111 V C 0.128 176.357 176.094 0.224 0.000 1.043 111 V CA -0.346 62.095 62.300 0.236 0.000 0.925 111 V CB 0.777 32.684 31.823 0.140 0.000 0.985 111 V HN 0.525 nan 8.190 nan 0.000 0.466 112 L N 3.987 125.396 121.223 0.310 0.000 2.334 112 L HA 0.539 4.898 4.340 0.032 0.000 0.273 112 L C 0.399 177.423 176.870 0.256 0.000 1.013 112 L CA -0.772 54.195 54.840 0.213 0.000 0.816 112 L CB 1.616 43.709 42.059 0.056 0.000 1.278 112 L HN 0.638 nan 8.230 nan 0.000 0.431 113 H N 2.634 121.759 119.070 0.091 0.000 2.852 113 H HA -0.031 4.545 4.556 0.034 0.000 0.362 113 H C -0.067 175.353 175.328 0.153 0.000 1.122 113 H CA 0.627 56.673 56.048 -0.003 0.000 1.419 113 H CB 0.512 30.140 29.762 -0.224 0.000 1.401 113 H HN 0.617 nan 8.280 nan 0.000 0.609 114 H N -1.230 117.643 119.070 -0.328 0.000 2.992 114 H HA -0.169 4.405 4.556 0.030 0.000 0.266 114 H C -0.480 174.989 175.328 0.234 0.000 1.200 114 H CA 0.762 56.788 56.048 -0.036 0.000 1.135 114 H CB -1.773 28.133 29.762 0.239 0.000 1.282 114 H HN 0.713 nan 8.280 nan 0.000 0.351 115 A N -0.357 122.662 122.820 0.332 0.000 2.524 115 A HA 0.680 5.019 4.320 0.032 0.000 0.286 115 A C 1.165 178.879 177.584 0.218 0.000 1.203 115 A CA -0.334 51.977 52.037 0.456 0.000 0.736 115 A CB 0.546 19.980 19.000 0.723 0.000 1.322 115 A HN 0.068 nan 8.150 nan 0.000 0.424 116 L N 0.341 121.628 121.223 0.107 0.000 2.465 116 L HA 0.187 4.546 4.340 0.032 0.000 0.224 116 L C 1.706 178.562 176.870 -0.024 0.000 1.145 116 L CA 1.305 56.102 54.840 -0.072 0.000 0.834 116 L CB -0.311 41.562 42.059 -0.309 0.000 0.944 116 L HN 1.330 nan 8.230 nan 0.000 0.451 117 G N -0.413 108.412 108.800 0.043 0.000 2.163 117 G HA2 -0.213 3.766 3.960 0.032 0.000 0.213 117 G HA3 -0.213 3.766 3.960 0.032 0.000 0.213 117 G C 0.307 175.212 174.900 0.009 0.000 0.991 117 G CA -0.192 44.933 45.100 0.042 0.000 0.653 117 G HN 0.311 nan 8.290 nan 0.000 0.518 118 K N -0.562 119.810 120.400 -0.047 0.000 2.416 118 K HA 0.660 4.999 4.320 0.032 0.000 0.244 118 K C 1.502 178.010 176.600 -0.155 0.000 1.044 118 K CA 0.032 56.260 56.287 -0.098 0.000 0.972 118 K CB 0.661 33.072 32.500 -0.148 0.000 1.286 118 K HN 0.195 nan 8.250 nan 0.000 0.500 119 T N -2.318 112.129 114.554 -0.178 0.000 3.092 119 T HA 0.090 4.459 4.350 0.032 0.000 0.258 119 T C -0.356 174.147 174.700 -0.328 0.000 1.031 119 T CA -0.410 61.603 62.100 -0.145 0.000 0.925 119 T CB -0.391 68.474 68.868 -0.004 0.000 1.036 119 T HN 0.561 nan 8.240 nan 0.000 0.544 120 D N 0.120 120.182 120.400 -0.564 0.000 2.419 120 D HA 0.364 5.023 4.640 0.032 0.000 0.234 120 D C -1.000 174.854 176.300 -0.743 0.000 1.014 120 D CA -1.346 52.400 54.000 -0.425 0.000 0.919 120 D CB 0.817 41.567 40.800 -0.084 0.000 1.366 120 D HN 0.178 nan 8.370 nan 0.000 0.490 121 Y N -0.756 119.635 120.300 0.153 0.000 2.685 121 Y HA 0.147 4.717 4.550 0.034 0.000 0.257 121 Y C 0.818 176.821 175.900 0.172 0.000 1.053 121 Y CA -0.605 57.586 58.100 0.152 0.000 1.106 121 Y CB 0.218 38.667 38.460 -0.019 0.000 1.193 121 Y HN 0.615 nan 8.280 nan 0.000 0.602 122 H N -2.127 117.104 119.070 0.268 0.000 2.586 122 H HA 0.024 4.582 4.556 0.003 0.000 0.273 122 H C 1.297 176.715 175.328 0.150 0.000 0.997 122 H CA 0.242 56.418 56.048 0.213 0.000 1.177 122 H CB -0.379 29.492 29.762 0.183 0.000 1.471 122 H HN 0.569 nan 8.280 nan 0.000 0.538 123 Y N 1.417 121.701 120.300 -0.027 0.000 2.224 123 Y HA -0.132 4.425 4.550 0.013 0.000 0.289 123 Y C 2.553 178.509 175.900 0.095 0.000 1.146 123 Y CA 1.274 59.377 58.100 0.006 0.000 1.182 123 Y CB -0.538 37.886 38.460 -0.059 0.000 0.983 123 Y HN 0.186 nan 8.280 nan 0.000 0.524 124 Q N 0.534 120.093 119.800 -0.402 0.000 2.079 124 Q HA -0.172 4.187 4.340 0.032 0.000 0.200 124 Q C 2.222 178.191 176.000 -0.052 0.000 0.974 124 Q CA 1.681 57.391 55.803 -0.156 0.000 0.840 124 Q CB -0.210 28.327 28.738 -0.336 0.000 0.898 124 Q HN 0.594 nan 8.270 nan 0.000 0.430 125 L N 1.164 122.380 121.223 -0.012 0.000 2.012 125 L HA -0.187 4.172 4.340 0.032 0.000 0.210 125 L C 2.008 178.814 176.870 -0.107 0.000 1.073 125 L CA 1.908 56.703 54.840 -0.075 0.000 0.748 125 L CB -0.449 41.706 42.059 0.160 0.000 0.891 125 L HN 0.182 nan 8.230 nan 0.000 0.431 126 E N -0.486 119.731 120.200 0.028 0.000 2.110 126 E HA -0.219 4.150 4.350 0.032 0.000 0.193 126 E C 2.202 178.774 176.600 -0.047 0.000 0.988 126 E CA 1.753 58.173 56.400 0.033 0.000 0.804 126 E CB -0.370 29.417 29.700 0.146 0.000 0.745 126 E HN 0.605 nan 8.360 nan 0.000 0.458 127 M N 0.228 119.803 119.600 -0.041 0.000 2.099 127 M HA -0.098 4.401 4.480 0.032 0.000 0.262 127 M C 2.405 178.457 176.300 -0.414 0.000 1.067 127 M CA 1.558 56.792 55.300 -0.109 0.000 1.124 127 M CB -0.336 32.323 32.600 0.099 0.000 1.353 127 M HN 0.045 nan 8.290 nan 0.000 0.410 128 A N 0.552 122.990 122.820 -0.636 0.000 1.978 128 A HA -0.179 4.160 4.320 0.032 0.000 0.220 128 A C 2.052 179.329 177.584 -0.511 0.000 1.170 128 A CA 1.654 53.129 52.037 -0.936 0.000 0.636 128 A CB -0.596 17.674 19.000 -1.218 0.000 0.810 128 A HN 0.450 nan 8.150 nan 0.000 0.448 129 K N 0.004 120.212 120.400 -0.321 0.000 2.280 129 K HA -0.094 4.245 4.320 0.032 0.000 0.202 129 K C 1.223 177.710 176.600 -0.189 0.000 1.047 129 K CA 1.133 57.310 56.287 -0.183 0.000 0.942 129 K CB -0.182 32.258 32.500 -0.100 0.000 0.739 129 K HN 0.488 nan 8.250 nan 0.000 0.457 130 N N 1.113 119.672 118.700 -0.234 0.000 2.459 130 N HA -0.061 4.698 4.740 0.032 0.000 0.181 130 N C 1.353 176.675 175.510 -0.313 0.000 1.046 130 N CA 1.014 53.932 53.050 -0.220 0.000 0.904 130 N CB 0.294 38.676 38.487 -0.174 0.000 0.964 130 N HN 0.392 nan 8.380 nan 0.000 0.444 131 I N -2.582 117.764 120.570 -0.374 0.000 3.813 131 I HA 0.265 4.454 4.170 0.032 0.000 0.323 131 I C -0.363 175.547 176.117 -0.344 0.000 1.536 131 I CA -0.481 60.543 61.300 -0.460 0.000 1.083 131 I CB 0.567 38.348 38.000 -0.364 0.000 1.265 131 I HN -0.242 nan 8.210 nan 0.000 0.507 132 T N -2.941 111.492 114.554 -0.201 0.000 2.865 132 T HA 0.751 5.120 4.350 0.032 0.000 0.294 132 T C 0.601 175.399 174.700 0.162 0.000 1.119 132 T CA -0.086 62.049 62.100 0.059 0.000 1.007 132 T CB 2.368 71.248 68.868 0.020 0.000 1.225 132 T HN 0.011 nan 8.240 nan 0.000 0.515 133 A N 0.166 123.103 122.820 0.196 0.000 2.132 133 A HA 0.764 5.103 4.320 0.032 0.000 0.213 133 A C 1.081 178.701 177.584 0.059 0.000 1.154 133 A CA 0.600 52.718 52.037 0.136 0.000 0.753 133 A CB -0.547 18.488 19.000 0.057 0.000 0.826 133 A HN 1.604 nan 8.150 nan 0.000 0.469 134 A N -1.564 121.284 122.820 0.047 0.000 2.589 134 A HA 0.732 5.071 4.320 0.032 0.000 0.296 134 A C -0.852 176.790 177.584 0.096 0.000 1.062 134 A CA 0.126 52.195 52.037 0.054 0.000 0.686 134 A CB 0.716 19.675 19.000 -0.069 0.000 1.282 134 A HN 1.616 nan 8.150 nan 0.000 0.404 135 A N 1.619 124.523 122.820 0.139 0.000 2.466 135 A HA 0.733 5.072 4.320 0.032 0.000 0.284 135 A C -1.299 176.407 177.584 0.203 0.000 1.049 135 A CA -0.377 51.790 52.037 0.217 0.000 0.760 135 A CB 1.163 20.239 19.000 0.127 0.000 1.274 135 A HN 0.637 nan 8.150 nan 0.000 0.412 136 E N 0.820 121.140 120.200 0.200 0.000 2.293 136 E HA 0.664 5.033 4.350 0.032 0.000 0.270 136 E C -0.694 175.916 176.600 0.016 0.000 0.879 136 E CA -0.600 55.854 56.400 0.089 0.000 0.756 136 E CB 2.457 32.189 29.700 0.052 0.000 1.208 136 E HN 0.896 nan 8.360 nan 0.000 0.428 137 A N 3.265 126.040 122.820 -0.075 0.000 2.317 137 A HA 0.703 5.042 4.320 0.032 0.000 0.327 137 A C -0.310 176.967 177.584 -0.512 0.000 1.178 137 A CA -0.628 51.228 52.037 -0.300 0.000 0.817 137 A CB 0.372 19.153 19.000 -0.365 0.000 1.189 137 A HN 0.553 nan 8.150 nan 0.000 0.489 138 I N 2.599 122.859 120.570 -0.516 0.000 2.354 138 I HA 0.268 4.457 4.170 0.032 0.000 0.286 138 I C -0.521 175.342 176.117 -0.424 0.000 1.007 138 I CA -0.128 60.937 61.300 -0.391 0.000 1.167 138 I CB 1.101 38.974 38.000 -0.210 0.000 1.320 138 I HN 0.804 nan 8.210 nan 0.000 0.458 139 Y N 3.016 123.279 120.300 -0.062 0.000 2.498 139 Y HA 0.115 4.680 4.550 0.024 0.000 0.259 139 Y C 1.360 177.233 175.900 -0.044 0.000 1.086 139 Y CA -0.260 57.798 58.100 -0.070 0.000 1.287 139 Y CB 0.411 38.788 38.460 -0.138 0.000 1.146 139 Y HN 0.516 nan 8.280 nan 0.000 0.523 140 T N -3.810 110.786 114.554 0.070 0.000 2.906 140 T HA 0.359 4.728 4.350 0.032 0.000 0.295 140 T C -2.437 172.255 174.700 -0.013 0.000 1.061 140 T CA -2.408 59.712 62.100 0.033 0.000 1.000 140 T CB 2.638 71.525 68.868 0.031 0.000 1.103 140 T HN -0.352 nan 8.240 nan 0.000 0.486 141 P HA -0.018 nan 4.420 nan 0.000 0.217 141 P C 1.065 178.326 177.300 -0.065 0.000 1.150 141 P CA 1.005 64.083 63.100 -0.037 0.000 0.832 141 P CB 0.102 31.793 31.700 -0.015 0.000 0.787 142 E N -0.090 120.081 120.200 -0.048 0.000 2.153 142 E HA -0.166 4.203 4.350 0.032 0.000 0.194 142 E C 1.741 178.291 176.600 -0.084 0.000 0.988 142 E CA 1.039 57.404 56.400 -0.059 0.000 0.811 142 E CB -0.664 29.015 29.700 -0.035 0.000 0.746 142 E HN 0.457 nan 8.360 nan 0.000 0.466 143 E N -0.016 120.137 120.200 -0.078 0.000 2.371 143 E HA 0.047 4.416 4.350 0.032 0.000 0.194 143 E C 1.863 178.385 176.600 -0.131 0.000 1.012 143 E CA 0.424 56.771 56.400 -0.089 0.000 0.860 143 E CB 0.075 29.736 29.700 -0.065 0.000 0.811 143 E HN 0.257 nan 8.360 nan 0.000 0.502 144 A N 2.353 125.075 122.820 -0.163 0.000 1.865 144 A HA -0.124 4.215 4.320 0.032 0.000 0.217 144 A C -0.290 177.101 177.584 -0.322 0.000 1.191 144 A CA 1.230 53.140 52.037 -0.212 0.000 0.623 144 A CB -1.445 17.432 19.000 -0.205 0.000 0.826 144 A HN 0.119 nan 8.150 nan 0.000 0.444 145 P HA -0.157 nan 4.420 nan 0.000 0.215 145 P C 1.761 178.906 177.300 -0.258 0.000 1.157 145 P CA 2.133 64.784 63.100 -0.748 0.000 0.874 145 P CB -0.152 31.150 31.700 -0.662 0.000 0.790 146 A N -0.423 122.305 122.820 -0.154 0.000 1.902 146 A HA -0.210 4.129 4.320 0.032 0.000 0.217 146 A C 2.107 179.682 177.584 -0.014 0.000 1.181 146 A CA 1.832 53.834 52.037 -0.057 0.000 0.623 146 A CB -1.038 17.925 19.000 -0.061 0.000 0.818 146 A HN 0.133 nan 8.150 nan 0.000 0.443 147 K N -0.490 119.884 120.400 -0.044 0.000 2.103 147 K HA 0.063 4.402 4.320 0.032 0.000 0.204 147 K C 1.742 178.359 176.600 0.028 0.000 1.052 147 K CA 1.228 57.517 56.287 0.004 0.000 0.945 147 K CB -0.283 32.189 32.500 -0.045 0.000 0.722 147 K HN 0.518 nan 8.250 nan 0.000 0.443 148 I N 1.494 122.057 120.570 -0.013 0.000 2.179 148 I HA -0.300 3.889 4.170 0.032 0.000 0.242 148 I C 1.594 177.745 176.117 0.057 0.000 1.088 148 I CA 1.282 62.598 61.300 0.027 0.000 1.357 148 I CB -0.276 37.770 38.000 0.077 0.000 1.051 148 I HN 0.143 nan 8.210 nan 0.000 0.409 149 D N -0.391 120.064 120.400 0.093 0.000 2.117 149 D HA -0.240 4.419 4.640 0.032 0.000 0.197 149 D C 1.976 178.300 176.300 0.041 0.000 0.987 149 D CA 1.498 55.539 54.000 0.069 0.000 0.829 149 D CB -0.492 40.361 40.800 0.090 0.000 0.961 149 D HN 0.436 nan 8.370 nan 0.000 0.460 150 H N 0.901 119.960 119.070 -0.019 0.000 2.293 150 H HA -0.111 4.462 4.556 0.028 0.000 0.300 150 H C 2.015 177.328 175.328 -0.024 0.000 1.082 150 H CA 2.606 58.640 56.048 -0.023 0.000 1.308 150 H CB -0.312 29.437 29.762 -0.021 0.000 1.375 150 H HN 0.059 nan 8.280 nan 0.000 0.495 151 V N -1.012 118.795 119.914 -0.178 0.000 2.427 151 V HA -0.128 4.011 4.120 0.032 0.000 0.248 151 V C 2.460 178.448 176.094 -0.176 0.000 1.051 151 V CA 1.883 64.049 62.300 -0.223 0.000 1.048 151 V CB -0.808 30.974 31.823 -0.069 0.000 0.666 151 V HN 0.455 nan 8.190 nan 0.000 0.456 152 I N 0.020 120.516 120.570 -0.125 0.000 2.202 152 I HA -0.177 4.012 4.170 0.032 0.000 0.242 152 I C 2.887 178.897 176.117 -0.178 0.000 1.091 152 I CA 1.924 63.145 61.300 -0.131 0.000 1.368 152 I CB -0.416 37.516 38.000 -0.113 0.000 1.058 152 I HN 0.262 nan 8.210 nan 0.000 0.410 153 K N 0.165 120.460 120.400 -0.175 0.000 2.057 153 K HA -0.144 4.195 4.320 0.032 0.000 0.207 153 K C 2.120 178.620 176.600 -0.167 0.000 1.049 153 K CA 1.852 58.033 56.287 -0.175 0.000 0.931 153 K CB -0.268 32.165 32.500 -0.112 0.000 0.714 153 K HN 0.315 nan 8.250 nan 0.000 0.440 154 T N 1.103 115.529 114.554 -0.214 0.000 2.708 154 T HA -0.160 4.209 4.350 0.032 0.000 0.266 154 T C 1.973 176.592 174.700 -0.136 0.000 1.037 154 T CA 1.421 63.404 62.100 -0.194 0.000 1.146 154 T CB -0.288 68.395 68.868 -0.309 0.000 0.865 154 T HN 0.331 nan 8.240 nan 0.000 0.435 155 A N 1.432 124.171 122.820 -0.134 0.000 1.873 155 A HA -0.076 4.263 4.320 0.032 0.000 0.218 155 A C 2.331 179.859 177.584 -0.093 0.000 1.193 155 A CA 1.481 53.460 52.037 -0.096 0.000 0.629 155 A CB -1.003 17.950 19.000 -0.078 0.000 0.826 155 A HN 0.488 nan 8.150 nan 0.000 0.447 156 L N -1.412 119.738 121.223 -0.122 0.000 2.083 156 L HA -0.168 4.191 4.340 0.032 0.000 0.209 156 L C 2.844 179.674 176.870 -0.067 0.000 1.083 156 L CA 1.765 56.538 54.840 -0.113 0.000 0.752 156 L CB -0.470 41.444 42.059 -0.242 0.000 0.899 156 L HN 0.491 nan 8.230 nan 0.000 0.433 157 R N 0.081 120.537 120.500 -0.073 0.000 2.062 157 R HA -0.109 4.250 4.340 0.032 0.000 0.229 157 R C 2.005 178.287 176.300 -0.030 0.000 1.128 157 R CA 1.104 57.183 56.100 -0.035 0.000 0.960 157 R CB 0.136 30.419 30.300 -0.028 0.000 0.855 157 R HN 0.272 nan 8.270 nan 0.000 0.432 158 E N 0.802 120.970 120.200 -0.053 0.000 2.371 158 E HA -0.031 4.338 4.350 0.032 0.000 0.194 158 E C -0.110 176.435 176.600 -0.092 0.000 1.012 158 E CA 0.195 56.556 56.400 -0.065 0.000 0.860 158 E CB 0.322 29.976 29.700 -0.077 0.000 0.811 158 E HN 0.127 nan 8.360 nan 0.000 0.502 159 K N 1.237 121.588 120.400 -0.082 0.000 3.393 159 K HA -0.141 4.198 4.320 0.032 0.000 0.272 159 K C -0.294 176.218 176.600 -0.147 0.000 1.004 159 K CA 0.712 56.946 56.287 -0.088 0.000 0.764 159 K CB -1.281 31.174 32.500 -0.074 0.000 1.373 159 K HN 0.088 nan 8.250 nan 0.000 0.458 160 K N -0.779 119.532 120.400 -0.148 0.000 2.512 160 K HA 0.527 4.866 4.320 0.032 0.000 0.263 160 K C -2.653 173.904 176.600 -0.072 0.000 0.966 160 K CA -2.146 54.017 56.287 -0.206 0.000 0.851 160 K CB 2.001 34.316 32.500 -0.309 0.000 1.395 160 K HN -0.185 nan 8.250 nan 0.000 0.440 161 P HA 0.224 nan 4.420 nan 0.000 0.274 161 P C -0.451 176.886 177.300 0.063 0.000 1.237 161 P CA -0.518 62.607 63.100 0.042 0.000 0.793 161 P CB 0.665 32.404 31.700 0.065 0.000 0.977 162 V N -1.489 118.460 119.914 0.058 0.000 3.160 162 V HA 0.666 4.805 4.120 0.032 0.000 0.310 162 V C -1.622 174.552 176.094 0.134 0.000 1.181 162 V CA -1.118 61.224 62.300 0.071 0.000 1.047 162 V CB 2.059 33.885 31.823 0.006 0.000 1.068 162 V HN 0.525 nan 8.190 nan 0.000 0.441 163 Y N 1.501 121.803 120.300 0.004 0.000 2.391 163 Y HA 0.827 5.407 4.550 0.050 0.000 0.341 163 Y C -1.354 174.559 175.900 0.022 0.000 0.965 163 Y CA -0.962 57.155 58.100 0.028 0.000 1.067 163 Y CB 1.865 40.342 38.460 0.029 0.000 1.199 163 Y HN 0.857 nan 8.280 nan 0.000 0.450 164 L N 6.537 127.422 121.223 -0.564 0.000 2.385 164 L HA 0.472 4.831 4.340 0.032 0.000 0.273 164 L C -1.258 175.169 176.870 -0.740 0.000 0.990 164 L CA -0.775 53.774 54.840 -0.484 0.000 0.821 164 L CB 2.263 44.181 42.059 -0.236 0.000 1.279 164 L HN 0.785 nan 8.230 nan 0.000 0.412 165 E N 4.287 124.178 120.200 -0.514 0.000 2.238 165 E HA 0.702 5.071 4.350 0.032 0.000 0.267 165 E C -1.334 175.148 176.600 -0.195 0.000 0.887 165 E CA -0.818 55.404 56.400 -0.297 0.000 0.769 165 E CB 2.782 32.433 29.700 -0.081 0.000 1.187 165 E HN 0.451 nan 8.360 nan 0.000 0.416 166 I N 1.920 122.418 120.570 -0.121 0.000 2.468 166 I HA 0.379 4.568 4.170 0.032 0.000 0.285 166 I C -0.124 175.971 176.117 -0.036 0.000 1.039 166 I CA -1.172 60.072 61.300 -0.094 0.000 1.074 166 I CB 1.919 39.878 38.000 -0.068 0.000 1.228 166 I HN 0.776 nan 8.210 nan 0.000 0.436 167 A N 4.299 127.110 122.820 -0.015 0.000 2.584 167 A HA -0.020 4.319 4.320 0.032 0.000 0.239 167 A C 1.493 179.108 177.584 0.051 0.000 1.043 167 A CA 0.148 52.215 52.037 0.050 0.000 0.756 167 A CB -0.021 19.056 19.000 0.129 0.000 0.963 167 A HN 1.132 nan 8.150 nan 0.000 0.511 168 C N 1.956 121.302 119.300 0.078 0.000 2.419 168 C HA -0.096 4.383 4.460 0.032 0.000 0.281 168 C C 1.712 176.752 174.990 0.083 0.000 1.336 168 C CA 0.897 59.985 59.018 0.116 0.000 1.770 168 C CB -1.329 26.549 27.740 0.229 0.000 1.929 168 C HN 0.904 nan 8.230 nan 0.000 0.509 169 N N 2.297 121.042 118.700 0.074 0.000 2.322 169 N HA 0.036 4.795 4.740 0.032 0.000 0.194 169 N C 1.079 176.616 175.510 0.045 0.000 1.126 169 N CA 0.816 53.901 53.050 0.057 0.000 0.845 169 N CB -0.705 37.816 38.487 0.056 0.000 0.976 169 N HN 0.866 nan 8.380 nan 0.000 0.475 170 I N -4.951 115.644 120.570 0.042 0.000 4.227 170 I HA 0.482 4.671 4.170 0.032 0.000 0.334 170 I C 1.610 177.740 176.117 0.021 0.000 1.341 170 I CA -0.368 60.949 61.300 0.029 0.000 1.123 170 I CB 0.260 38.275 38.000 0.024 0.000 1.097 170 I HN -0.056 nan 8.210 nan 0.000 0.399 171 A N 1.127 123.962 122.820 0.026 0.000 2.019 171 A HA -0.085 4.254 4.320 0.032 0.000 0.219 171 A C 2.266 179.867 177.584 0.029 0.000 1.164 171 A CA 2.017 54.068 52.037 0.024 0.000 0.644 171 A CB -0.554 18.464 19.000 0.029 0.000 0.805 171 A HN 0.471 nan 8.150 nan 0.000 0.449 172 S N -0.802 114.914 115.700 0.028 0.000 2.556 172 S HA 0.323 4.812 4.470 0.032 0.000 0.216 172 S C 0.575 175.191 174.600 0.026 0.000 0.970 172 S CA -0.230 57.986 58.200 0.026 0.000 0.912 172 S CB -0.240 62.973 63.200 0.022 0.000 0.790 172 S HN 0.517 nan 8.310 nan 0.000 0.504 173 M N 2.568 122.184 119.600 0.026 0.000 2.250 173 M HA 0.303 4.802 4.480 0.032 0.000 0.344 173 M C -2.576 173.742 176.300 0.030 0.000 1.150 173 M CA -2.070 53.244 55.300 0.023 0.000 1.147 173 M CB 0.304 32.914 32.600 0.018 0.000 1.498 173 M HN -0.196 nan 8.290 nan 0.000 0.461 174 P HA 0.103 nan 4.420 nan 0.000 0.268 174 P C -1.033 176.290 177.300 0.038 0.000 1.205 174 P CA -0.425 62.702 63.100 0.045 0.000 0.771 174 P CB 0.385 32.107 31.700 0.036 0.000 0.858 175 C N 0.208 119.545 119.300 0.062 0.000 3.336 175 C HA 0.881 5.360 4.460 0.032 0.000 0.339 175 C C 0.154 175.186 174.990 0.070 0.000 1.468 175 C CA -1.105 57.925 59.018 0.020 0.000 1.287 175 C CB 0.981 28.684 27.740 -0.062 0.000 1.682 175 C HN 0.657 nan 8.230 nan 0.000 0.451 176 A N 0.655 123.488 122.820 0.021 0.000 2.475 176 A HA 0.566 4.905 4.320 0.032 0.000 0.239 176 A C 0.602 178.288 177.584 0.170 0.000 1.087 176 A CA 0.549 52.629 52.037 0.071 0.000 0.779 176 A CB -0.507 18.510 19.000 0.028 0.000 1.036 176 A HN 2.404 nan 8.150 nan 0.000 0.506 177 A N 1.452 124.340 122.820 0.112 0.000 2.302 177 A HA 0.690 5.029 4.320 0.032 0.000 0.285 177 A C -2.419 175.077 177.584 -0.147 0.000 1.105 177 A CA -1.513 50.454 52.037 -0.117 0.000 0.816 177 A CB -0.246 18.742 19.000 -0.021 0.000 1.067 177 A HN 0.650 nan 8.150 nan 0.000 0.489 178 P HA 0.392 nan 4.420 nan 0.000 0.279 178 P C 0.439 177.576 177.300 -0.270 0.000 1.239 178 P CA 0.029 62.812 63.100 -0.529 0.000 0.789 178 P CB 1.103 32.224 31.700 -0.964 0.000 0.933 179 G N 2.520 111.233 108.800 -0.144 0.000 2.494 179 G HA2 0.429 4.408 3.960 0.032 0.000 0.270 179 G HA3 0.429 4.408 3.960 0.032 0.000 0.270 179 G C -2.416 172.434 174.900 -0.083 0.000 1.423 179 G CA -1.313 43.738 45.100 -0.082 0.000 1.055 179 G HN 0.328 nan 8.290 nan 0.000 0.536 180 P HA 0.225 nan 4.420 nan 0.000 0.266 180 P C 0.634 177.928 177.300 -0.009 0.000 1.195 180 P CA 0.405 63.491 63.100 -0.023 0.000 0.768 180 P CB 1.040 32.736 31.700 -0.005 0.000 0.838 181 A N 2.728 125.555 122.820 0.013 0.000 1.940 181 A HA -0.196 4.143 4.320 0.032 0.000 0.219 181 A C 2.126 179.807 177.584 0.162 0.000 1.176 181 A CA 2.152 54.233 52.037 0.073 0.000 0.631 181 A CB -1.677 17.385 19.000 0.102 0.000 0.814 181 A HN 0.622 nan 8.150 nan 0.000 0.446 182 S N 0.377 116.149 115.700 0.120 0.000 2.420 182 S HA -0.083 4.406 4.470 0.032 0.000 0.237 182 S C 1.981 176.667 174.600 0.143 0.000 1.023 182 S CA 1.333 59.620 58.200 0.146 0.000 0.991 182 S CB -0.740 62.494 63.200 0.058 0.000 0.792 182 S HN 0.962 nan 8.310 nan 0.000 0.488 183 A N 1.908 124.771 122.820 0.072 0.000 2.019 183 A HA 0.130 4.469 4.320 0.032 0.000 0.219 183 A C 2.219 179.805 177.584 0.003 0.000 1.164 183 A CA 1.306 53.363 52.037 0.033 0.000 0.644 183 A CB -0.760 18.245 19.000 0.009 0.000 0.805 183 A HN 0.579 nan 8.150 nan 0.000 0.449 184 L N -2.494 118.706 121.223 -0.038 0.000 2.291 184 L HA -0.018 4.341 4.340 0.032 0.000 0.214 184 L C 1.700 178.347 176.870 -0.373 0.000 1.120 184 L CA 0.728 55.426 54.840 -0.236 0.000 0.799 184 L CB -0.315 41.513 42.059 -0.386 0.000 0.925 184 L HN 0.382 nan 8.230 nan 0.000 0.446 185 F N -1.055 118.878 119.950 -0.029 0.000 2.749 185 F HA 0.117 4.664 4.527 0.034 0.000 0.300 185 F C 1.075 176.856 175.800 -0.031 0.000 1.103 185 F CA -0.714 57.266 58.000 -0.034 0.000 1.342 185 F CB -0.324 38.653 39.000 -0.040 0.000 1.098 185 F HN -0.017 nan 8.300 nan 0.000 0.586 186 N N 1.809 120.574 118.700 0.109 0.000 2.411 186 N HA 0.007 4.766 4.740 0.032 0.000 0.265 186 N C -0.911 174.625 175.510 0.044 0.000 1.266 186 N CA 0.651 53.740 53.050 0.066 0.000 0.889 186 N CB 0.109 38.622 38.487 0.044 0.000 1.069 186 N HN 0.066 nan 8.380 nan 0.000 0.476 187 D N 0.506 120.933 120.400 0.044 0.000 2.596 187 D HA 0.156 4.815 4.640 0.032 0.000 0.234 187 D C -1.037 175.305 176.300 0.070 0.000 1.181 187 D CA -0.615 53.415 54.000 0.049 0.000 0.856 187 D CB 1.061 41.881 40.800 0.034 0.000 1.498 187 D HN 0.593 nan 8.370 nan 0.000 0.446 188 E N 0.649 120.914 120.200 0.108 0.000 2.418 188 E HA 0.458 4.827 4.350 0.032 0.000 0.261 188 E C -0.524 176.206 176.600 0.217 0.000 1.070 188 E CA -0.710 55.765 56.400 0.126 0.000 0.931 188 E CB 0.857 30.616 29.700 0.098 0.000 0.954 188 E HN 0.347 nan 8.360 nan 0.000 0.439 189 A N 2.875 125.786 122.820 0.152 0.000 2.257 189 A HA 0.302 4.641 4.320 0.032 0.000 0.289 189 A C 0.039 177.736 177.584 0.188 0.000 1.095 189 A CA -0.657 51.486 52.037 0.177 0.000 0.836 189 A CB 0.765 19.818 19.000 0.088 0.000 1.111 189 A HN 0.644 nan 8.150 nan 0.000 0.497 190 S N 0.296 116.125 115.700 0.215 0.000 2.558 190 S HA 0.103 4.592 4.470 0.032 0.000 0.288 190 S C 0.057 174.674 174.600 0.027 0.000 1.318 190 S CA 0.086 58.324 58.200 0.064 0.000 1.056 190 S CB 0.187 63.437 63.200 0.083 0.000 0.853 190 S HN 0.730 nan 8.310 nan 0.000 0.505 191 D N 1.334 121.730 120.400 -0.007 0.000 2.401 191 D HA 0.058 4.717 4.640 0.032 0.000 0.254 191 D C 1.040 177.348 176.300 0.013 0.000 1.192 191 D CA 0.037 54.041 54.000 0.008 0.000 0.885 191 D CB 0.677 41.481 40.800 0.007 0.000 1.147 191 D HN 0.506 nan 8.370 nan 0.000 0.478 192 E N 3.646 123.856 120.200 0.016 0.000 2.058 192 E HA -0.200 4.169 4.350 0.032 0.000 0.194 192 E C 1.802 178.407 176.600 0.007 0.000 0.997 192 E CA 1.797 58.205 56.400 0.012 0.000 0.801 192 E CB -0.322 29.385 29.700 0.013 0.000 0.746 192 E HN 0.580 nan 8.360 nan 0.000 0.450 193 A N -0.277 122.553 122.820 0.016 0.000 1.933 193 A HA -0.163 4.176 4.320 0.032 0.000 0.218 193 A C 2.430 180.029 177.584 0.025 0.000 1.175 193 A CA 1.966 54.016 52.037 0.022 0.000 0.628 193 A CB -0.675 18.346 19.000 0.035 0.000 0.814 193 A HN 0.289 nan 8.150 nan 0.000 0.444 194 S N -0.558 115.166 115.700 0.039 0.000 2.368 194 S HA -0.100 4.389 4.470 0.032 0.000 0.224 194 S C 1.866 176.414 174.600 -0.087 0.000 1.029 194 S CA 1.264 59.503 58.200 0.064 0.000 0.988 194 S CB -0.427 62.839 63.200 0.109 0.000 0.838 194 S HN 0.519 nan 8.310 nan 0.000 0.462 195 L N 3.058 124.250 121.223 -0.051 0.000 1.989 195 L HA -0.095 4.264 4.340 0.032 0.000 0.211 195 L C 1.705 178.523 176.870 -0.087 0.000 1.071 195 L CA 1.823 56.632 54.840 -0.052 0.000 0.749 195 L CB -1.057 41.001 42.059 -0.002 0.000 0.890 195 L HN 0.143 nan 8.230 nan 0.000 0.431 196 N N 0.229 118.888 118.700 -0.069 0.000 2.120 196 N HA -0.144 4.615 4.740 0.032 0.000 0.188 196 N C 1.818 177.255 175.510 -0.122 0.000 1.024 196 N CA 1.684 54.692 53.050 -0.069 0.000 0.852 196 N CB -0.486 37.981 38.487 -0.033 0.000 1.003 196 N HN 0.558 nan 8.380 nan 0.000 0.424 197 A N 1.015 123.736 122.820 -0.166 0.000 1.902 197 A HA 0.051 4.390 4.320 0.032 0.000 0.217 197 A C 2.382 179.609 177.584 -0.596 0.000 1.181 197 A CA 1.826 53.727 52.037 -0.226 0.000 0.623 197 A CB -0.739 18.250 19.000 -0.017 0.000 0.818 197 A HN 0.319 nan 8.150 nan 0.000 0.443 198 A N -0.558 121.677 122.820 -0.975 0.000 1.902 198 A HA -0.003 4.336 4.320 0.032 0.000 0.217 198 A C 2.234 179.671 177.584 -0.245 0.000 1.181 198 A CA 1.815 53.236 52.037 -1.026 0.000 0.623 198 A CB -0.890 17.649 19.000 -0.769 0.000 0.818 198 A HN 0.372 nan 8.150 nan 0.000 0.443 199 V N 0.097 119.947 119.914 -0.106 0.000 2.307 199 V HA -0.196 3.943 4.120 0.032 0.000 0.245 199 V C 2.600 178.671 176.094 -0.039 0.000 1.045 199 V CA 2.055 64.328 62.300 -0.046 0.000 1.024 199 V CB -0.694 31.073 31.823 -0.093 0.000 0.651 199 V HN 0.498 nan 8.190 nan 0.000 0.449 200 E N -0.037 120.130 120.200 -0.055 0.000 2.085 200 E HA -0.207 4.162 4.350 0.032 0.000 0.194 200 E C 2.299 178.917 176.600 0.030 0.000 0.994 200 E CA 1.120 57.514 56.400 -0.011 0.000 0.801 200 E CB -0.255 29.438 29.700 -0.012 0.000 0.743 200 E HN 0.577 nan 8.360 nan 0.000 0.453 201 E N -0.022 120.189 120.200 0.020 0.000 2.153 201 E HA -0.093 4.276 4.350 0.032 0.000 0.194 201 E C 2.064 178.750 176.600 0.142 0.000 0.988 201 E CA 0.915 57.377 56.400 0.104 0.000 0.811 201 E CB -0.295 29.508 29.700 0.171 0.000 0.746 201 E HN 0.246 nan 8.360 nan 0.000 0.466 202 T N 1.793 116.414 114.554 0.112 0.000 2.777 202 T HA -0.044 4.325 4.350 0.032 0.000 0.266 202 T C 2.148 176.959 174.700 0.185 0.000 1.040 202 T CA 0.638 62.837 62.100 0.166 0.000 1.141 202 T CB -0.153 68.805 68.868 0.151 0.000 0.868 202 T HN 0.093 nan 8.240 nan 0.000 0.444 203 L N 0.420 121.712 121.223 0.115 0.000 2.046 203 L HA -0.101 4.258 4.340 0.032 0.000 0.208 203 L C 2.643 179.576 176.870 0.105 0.000 1.077 203 L CA 1.434 56.332 54.840 0.096 0.000 0.747 203 L CB -0.491 41.601 42.059 0.055 0.000 0.896 203 L HN 0.204 nan 8.230 nan 0.000 0.432 204 K N -0.553 119.916 120.400 0.116 0.000 2.097 204 K HA -0.205 4.134 4.320 0.032 0.000 0.206 204 K C 2.011 178.696 176.600 0.142 0.000 1.049 204 K CA 1.488 57.843 56.287 0.112 0.000 0.933 204 K CB -0.222 32.346 32.500 0.115 0.000 0.717 204 K HN 0.079 nan 8.250 nan 0.000 0.442 205 F N 1.648 121.629 119.950 0.051 0.000 2.146 205 F HA -0.071 4.475 4.527 0.033 0.000 0.298 205 F C 1.675 177.502 175.800 0.046 0.000 1.096 205 F CA 1.117 59.148 58.000 0.052 0.000 1.275 205 F CB 0.040 39.079 39.000 0.065 0.000 1.008 205 F HN -0.051 nan 8.300 nan 0.000 0.480 206 I N -1.941 118.684 120.570 0.092 0.000 3.793 206 I HA 0.322 4.511 4.170 0.032 0.000 0.315 206 I C 1.915 178.017 176.117 -0.026 0.000 1.275 206 I CA 0.657 61.954 61.300 -0.005 0.000 1.214 206 I CB -0.886 37.183 38.000 0.114 0.000 1.018 206 I HN 0.059 nan 8.210 nan 0.000 0.439 207 A N 2.529 125.338 122.820 -0.017 0.000 1.873 207 A HA -0.206 4.133 4.320 0.032 0.000 0.218 207 A C 1.713 179.276 177.584 -0.035 0.000 1.193 207 A CA 1.889 53.919 52.037 -0.011 0.000 0.629 207 A CB -0.797 18.203 19.000 -0.000 0.000 0.826 207 A HN 0.688 nan 8.150 nan 0.000 0.447 208 N N -0.298 118.361 118.700 -0.069 0.000 2.453 208 N HA 0.190 4.949 4.740 0.032 0.000 0.270 208 N C -0.887 174.563 175.510 -0.099 0.000 1.195 208 N CA -0.057 52.951 53.050 -0.070 0.000 0.902 208 N CB 0.431 38.880 38.487 -0.063 0.000 1.186 208 N HN 0.336 nan 8.380 nan 0.000 0.510 209 R N 0.512 120.950 120.500 -0.103 0.000 2.487 209 R HA 0.090 4.449 4.340 0.032 0.000 0.288 209 R C -0.221 176.048 176.300 -0.052 0.000 1.394 209 R CA -0.395 55.641 56.100 -0.107 0.000 1.155 209 R CB 1.263 31.453 30.300 -0.184 0.000 1.156 209 R HN 0.030 nan 8.270 nan 0.000 0.553 210 D N 2.018 122.396 120.400 -0.036 0.000 2.149 210 D HA -0.073 4.586 4.640 0.032 0.000 0.201 210 D C -0.150 176.149 176.300 -0.003 0.000 0.972 210 D CA 1.177 55.170 54.000 -0.012 0.000 0.835 210 D CB 0.534 41.332 40.800 -0.003 0.000 0.966 210 D HN 0.169 nan 8.370 nan 0.000 0.476 211 K N 0.579 120.969 120.400 -0.018 0.000 2.150 211 K HA 0.243 4.582 4.320 0.032 0.000 0.261 211 K C -0.988 175.610 176.600 -0.002 0.000 1.127 211 K CA -0.276 56.003 56.287 -0.015 0.000 0.989 211 K CB 1.495 33.955 32.500 -0.067 0.000 1.475 211 K HN -0.060 nan 8.250 nan 0.000 0.391 212 V N 2.610 122.536 119.914 0.020 0.000 2.350 212 V HA 0.364 4.503 4.120 0.032 0.000 0.276 212 V C 0.118 176.233 176.094 0.035 0.000 1.028 212 V CA -0.846 61.481 62.300 0.044 0.000 0.860 212 V CB 1.196 33.056 31.823 0.061 0.000 0.990 212 V HN 0.694 nan 8.190 nan 0.000 0.453 213 A N 5.023 127.871 122.820 0.046 0.000 2.312 213 A HA 0.843 5.182 4.320 0.032 0.000 0.326 213 A C -0.583 177.030 177.584 0.048 0.000 1.172 213 A CA -0.539 51.513 52.037 0.026 0.000 0.821 213 A CB 1.435 20.447 19.000 0.021 0.000 1.166 213 A HN 0.627 nan 8.150 nan 0.000 0.493 214 V N 2.721 122.639 119.914 0.008 0.000 2.398 214 V HA 0.382 4.521 4.120 0.032 0.000 0.286 214 V C -0.660 175.426 176.094 -0.013 0.000 1.026 214 V CA -0.402 61.922 62.300 0.039 0.000 0.868 214 V CB 1.185 33.025 31.823 0.028 0.000 0.982 214 V HN 0.744 nan 8.190 nan 0.000 0.443 215 L N 6.789 128.033 121.223 0.034 0.000 2.294 215 L HA 0.561 4.920 4.340 0.032 0.000 0.283 215 L C -0.294 176.580 176.870 0.007 0.000 1.015 215 L CA 0.064 54.914 54.840 0.017 0.000 0.831 215 L CB 1.550 43.657 42.059 0.079 0.000 1.217 215 L HN 0.451 nan 8.230 nan 0.000 0.420 216 V N 5.372 125.269 119.914 -0.029 0.000 2.455 216 V HA 0.617 4.756 4.120 0.032 0.000 0.273 216 V C 0.972 177.052 176.094 -0.022 0.000 1.045 216 V CA 0.033 62.338 62.300 0.008 0.000 0.976 216 V CB 0.684 32.530 31.823 0.039 0.000 0.993 216 V HN 0.887 nan 8.190 nan 0.000 0.475 217 G N 2.643 111.437 108.800 -0.010 0.000 2.521 217 G HA2 0.442 4.421 3.960 0.032 0.000 0.323 217 G HA3 0.442 4.421 3.960 0.032 0.000 0.323 217 G C 0.800 175.706 174.900 0.010 0.000 1.211 217 G CA 0.157 45.206 45.100 -0.085 0.000 0.979 217 G HN 0.790 nan 8.290 nan 0.000 0.490 218 S N -1.318 114.338 115.700 -0.073 0.000 2.603 218 S HA 0.056 4.545 4.470 0.032 0.000 0.220 218 S C 1.263 175.985 174.600 0.204 0.000 0.967 218 S CA 0.344 58.554 58.200 0.015 0.000 0.920 218 S CB 0.069 63.174 63.200 -0.160 0.000 0.773 218 S HN 0.499 nan 8.310 nan 0.000 0.529 219 K N 0.216 120.673 120.400 0.094 0.000 2.397 219 K HA 0.353 4.692 4.320 0.032 0.000 0.202 219 K C 1.120 177.741 176.600 0.034 0.000 1.022 219 K CA -0.189 56.130 56.287 0.054 0.000 1.141 219 K CB 0.078 32.571 32.500 -0.011 0.000 0.857 219 K HN 0.172 nan 8.250 nan 0.000 0.514 220 L N 1.470 122.744 121.223 0.086 0.000 2.046 220 L HA -0.120 4.239 4.340 0.032 0.000 0.208 220 L C 2.314 179.092 176.870 -0.154 0.000 1.077 220 L CA 1.737 56.581 54.840 0.006 0.000 0.747 220 L CB -0.211 41.908 42.059 0.101 0.000 0.896 220 L HN 0.103 nan 8.230 nan 0.000 0.432 221 R N -0.753 119.517 120.500 -0.384 0.000 2.075 221 R HA -0.119 4.240 4.340 0.032 0.000 0.232 221 R C 2.164 178.344 176.300 -0.199 0.000 1.126 221 R CA 1.244 57.089 56.100 -0.426 0.000 0.963 221 R CB -0.359 29.513 30.300 -0.712 0.000 0.858 221 R HN 0.436 nan 8.270 nan 0.000 0.435 222 A N 0.659 123.404 122.820 -0.125 0.000 1.978 222 A HA -0.092 4.247 4.320 0.032 0.000 0.220 222 A C 2.198 179.748 177.584 -0.057 0.000 1.170 222 A CA 1.660 53.654 52.037 -0.071 0.000 0.636 222 A CB -0.601 18.370 19.000 -0.048 0.000 0.810 222 A HN 0.528 nan 8.150 nan 0.000 0.448 223 A N -1.524 121.264 122.820 -0.052 0.000 2.208 223 A HA 0.403 4.742 4.320 0.032 0.000 0.209 223 A C 1.766 179.324 177.584 -0.044 0.000 1.161 223 A CA 1.124 53.145 52.037 -0.027 0.000 0.782 223 A CB -1.076 17.921 19.000 -0.004 0.000 0.816 223 A HN 1.887 nan 8.150 nan 0.000 0.477 224 G N -1.676 107.079 108.800 -0.075 0.000 2.305 224 G HA2 -0.015 3.964 3.960 0.032 0.000 0.287 224 G HA3 -0.015 3.964 3.960 0.032 0.000 0.287 224 G C 0.614 175.474 174.900 -0.066 0.000 1.036 224 G CA 0.443 45.493 45.100 -0.083 0.000 0.887 224 G HN 1.573 nan 8.290 nan 0.000 0.505 225 A N -1.149 121.637 122.820 -0.057 0.000 2.564 225 A HA 0.603 4.942 4.320 0.032 0.000 0.279 225 A C 1.431 179.011 177.584 -0.006 0.000 1.232 225 A CA 1.006 53.032 52.037 -0.018 0.000 0.950 225 A CB 0.198 19.207 19.000 0.014 0.000 1.138 225 A HN 0.491 nan 8.150 nan 0.000 0.526 226 E N 0.252 120.422 120.200 -0.050 0.000 2.051 226 E HA -0.227 4.142 4.350 0.032 0.000 0.192 226 E C 1.776 178.363 176.600 -0.021 0.000 0.991 226 E CA 1.431 57.809 56.400 -0.037 0.000 0.799 226 E CB -0.012 29.621 29.700 -0.112 0.000 0.748 226 E HN 0.789 nan 8.360 nan 0.000 0.449 227 E N 0.514 120.688 120.200 -0.043 0.000 2.077 227 E HA -0.194 4.175 4.350 0.032 0.000 0.193 227 E C 2.000 178.599 176.600 -0.002 0.000 0.989 227 E CA 0.984 57.359 56.400 -0.042 0.000 0.800 227 E CB -0.060 29.611 29.700 -0.049 0.000 0.746 227 E HN 0.218 nan 8.360 nan 0.000 0.452 228 A N 0.917 123.747 122.820 0.017 0.000 2.015 228 A HA -0.021 4.318 4.320 0.032 0.000 0.219 228 A C 2.300 179.955 177.584 0.118 0.000 1.163 228 A CA 1.463 53.528 52.037 0.047 0.000 0.646 228 A CB -0.511 18.507 19.000 0.029 0.000 0.806 228 A HN 0.404 nan 8.150 nan 0.000 0.448 229 A N -0.477 122.431 122.820 0.147 0.000 1.930 229 A HA 0.048 4.387 4.320 0.032 0.000 0.217 229 A C 2.171 179.964 177.584 0.347 0.000 1.175 229 A CA 1.645 53.851 52.037 0.281 0.000 0.627 229 A CB -0.727 18.457 19.000 0.307 0.000 0.815 229 A HN 0.355 nan 8.150 nan 0.000 0.443 230 V N 0.379 120.399 119.914 0.176 0.000 2.358 230 V HA -0.248 3.891 4.120 0.032 0.000 0.246 230 V C 2.415 178.560 176.094 0.085 0.000 1.047 230 V CA 2.166 64.509 62.300 0.071 0.000 1.035 230 V CB -0.669 31.067 31.823 -0.143 0.000 0.658 230 V HN 0.502 nan 8.190 nan 0.000 0.452 231 K N -0.485 119.959 120.400 0.074 0.000 2.063 231 K HA -0.207 4.132 4.320 0.032 0.000 0.208 231 K C 2.152 178.806 176.600 0.090 0.000 1.048 231 K CA 1.888 58.213 56.287 0.063 0.000 0.928 231 K CB -0.436 32.095 32.500 0.051 0.000 0.713 231 K HN 0.474 nan 8.250 nan 0.000 0.442 232 F N 1.781 121.730 119.950 -0.002 0.000 2.134 232 F HA -0.154 4.393 4.527 0.032 0.000 0.299 232 F C 2.143 177.920 175.800 -0.038 0.000 1.097 232 F CA 1.382 59.365 58.000 -0.028 0.000 1.264 232 F CB -0.448 38.533 39.000 -0.030 0.000 1.001 232 F HN -0.049 nan 8.300 nan 0.000 0.479 233 A N -0.223 122.436 122.820 -0.269 0.000 1.968 233 A HA -0.092 4.247 4.320 0.032 0.000 0.217 233 A C 1.914 179.161 177.584 -0.561 0.000 1.169 233 A CA 1.534 53.279 52.037 -0.487 0.000 0.638 233 A CB -0.868 18.080 19.000 -0.087 0.000 0.812 233 A HN 0.412 nan 8.150 nan 0.000 0.446 234 D N 0.387 120.635 120.400 -0.253 0.000 2.117 234 D HA -0.058 4.601 4.640 0.032 0.000 0.197 234 D C 2.195 178.405 176.300 -0.150 0.000 0.987 234 D CA 1.526 55.454 54.000 -0.121 0.000 0.829 234 D CB -0.344 40.482 40.800 0.044 0.000 0.961 234 D HN 0.416 nan 8.370 nan 0.000 0.460 235 A N 0.422 123.140 122.820 -0.169 0.000 1.898 235 A HA -0.092 4.247 4.320 0.032 0.000 0.216 235 A C 2.149 179.613 177.584 -0.200 0.000 1.181 235 A CA 0.847 52.806 52.037 -0.131 0.000 0.620 235 A CB -0.612 18.347 19.000 -0.068 0.000 0.819 235 A HN 0.241 nan 8.150 nan 0.000 0.442 236 L N -0.725 120.257 121.223 -0.401 0.000 2.072 236 L HA 0.175 4.534 4.340 0.032 0.000 0.205 236 L C 1.725 178.442 176.870 -0.255 0.000 1.079 236 L CA 2.039 56.646 54.840 -0.389 0.000 0.752 236 L CB -0.543 41.092 42.059 -0.707 0.000 0.906 236 L HN 0.744 nan 8.230 nan 0.000 0.436 237 G N -1.424 107.176 108.800 -0.334 0.000 2.153 237 G HA2 -0.239 3.740 3.960 0.032 0.000 0.252 237 G HA3 -0.239 3.740 3.960 0.032 0.000 0.252 237 G C 0.642 175.526 174.900 -0.027 0.000 0.994 237 G CA 0.300 45.332 45.100 -0.113 0.000 0.698 237 G HN 0.867 nan 8.290 nan 0.000 0.521 238 G N -0.703 108.000 108.800 -0.162 0.000 2.535 238 G HA2 0.787 4.766 3.960 0.032 0.000 0.303 238 G HA3 0.787 4.766 3.960 0.032 0.000 0.303 238 G C 0.420 175.307 174.900 -0.022 0.000 1.237 238 G CA 0.210 45.272 45.100 -0.063 0.000 0.986 238 G HN 1.504 nan 8.290 nan 0.000 0.494 239 A N -0.954 121.859 122.820 -0.012 0.000 2.401 239 A HA 0.546 4.885 4.320 0.032 0.000 0.259 239 A C -0.278 177.232 177.584 -0.123 0.000 1.103 239 A CA -0.211 51.792 52.037 -0.057 0.000 0.789 239 A CB 0.625 19.586 19.000 -0.065 0.000 1.035 239 A HN 0.804 nan 8.150 nan 0.000 0.491 240 V N 1.910 121.717 119.914 -0.180 0.000 2.409 240 V HA 0.672 4.811 4.120 0.032 0.000 0.291 240 V C 0.380 176.292 176.094 -0.302 0.000 1.020 240 V CA -0.135 61.999 62.300 -0.277 0.000 0.848 240 V CB 1.143 32.650 31.823 -0.526 0.000 0.990 240 V HN 1.208 nan 8.190 nan 0.000 0.430 241 A N 3.244 125.918 122.820 -0.244 0.000 2.374 241 A HA 0.911 5.250 4.320 0.032 0.000 0.317 241 A C 0.081 177.605 177.584 -0.101 0.000 1.094 241 A CA -0.553 51.343 52.037 -0.235 0.000 0.765 241 A CB 1.650 20.528 19.000 -0.203 0.000 1.268 241 A HN 0.878 nan 8.150 nan 0.000 0.438 242 T N 0.294 114.835 114.554 -0.022 0.000 2.829 242 T HA 0.620 4.989 4.350 0.032 0.000 0.282 242 T C 0.323 174.941 174.700 -0.135 0.000 0.990 242 T CA -0.538 61.540 62.100 -0.036 0.000 1.028 242 T CB 0.491 69.373 68.868 0.023 0.000 0.951 242 T HN 0.545 nan 8.240 nan 0.000 0.460 243 M N 2.122 121.613 119.600 -0.181 0.000 2.232 243 M HA 0.329 4.828 4.480 0.032 0.000 0.321 243 M C 1.943 177.958 176.300 -0.475 0.000 1.101 243 M CA -0.510 54.612 55.300 -0.296 0.000 1.181 243 M CB 0.345 32.771 32.600 -0.289 0.000 1.432 243 M HN 0.946 nan 8.290 nan 0.000 0.457 244 A N 1.809 124.142 122.820 -0.812 0.000 1.884 244 A HA -0.181 4.158 4.320 0.032 0.000 0.219 244 A C 2.089 179.162 177.584 -0.852 0.000 1.197 244 A CA 2.448 53.818 52.037 -1.112 0.000 0.637 244 A CB -1.175 16.372 19.000 -2.421 0.000 0.827 244 A HN 0.960 nan 8.150 nan 0.000 0.450 245 A N -1.168 121.164 122.820 -0.813 0.000 2.209 245 A HA 0.416 4.755 4.320 0.032 0.000 0.212 245 A C 1.876 179.100 177.584 -0.601 0.000 1.158 245 A CA 1.331 52.990 52.037 -0.630 0.000 0.742 245 A CB -0.563 18.108 19.000 -0.548 0.000 0.790 245 A HN 1.126 nan 8.150 nan 0.000 0.472 246 A N -0.658 121.793 122.820 -0.615 0.000 2.379 246 A HA 0.351 4.690 4.320 0.032 0.000 0.236 246 A C 0.852 178.017 177.584 -0.699 0.000 1.272 246 A CA -0.152 51.376 52.037 -0.848 0.000 0.886 246 A CB -0.332 18.449 19.000 -0.364 0.000 0.962 246 A HN 0.270 nan 8.150 nan 0.000 0.504 247 K N 1.333 121.456 120.400 -0.462 0.000 2.491 247 K HA 0.140 4.479 4.320 0.032 0.000 0.279 247 K C 1.026 177.484 176.600 -0.237 0.000 1.026 247 K CA 1.286 57.422 56.287 -0.252 0.000 1.070 247 K CB -0.152 32.275 32.500 -0.122 0.000 0.887 247 K HN 1.069 nan 8.250 nan 0.000 0.481 248 S N 2.657 118.305 115.700 -0.087 0.000 2.765 248 S HA -0.155 4.334 4.470 0.032 0.000 0.266 248 S C 0.736 175.477 174.600 0.234 0.000 1.302 248 S CA 0.816 59.029 58.200 0.022 0.000 1.274 248 S CB -2.208 60.995 63.200 0.006 0.000 1.559 248 S HN 0.506 nan 8.310 nan 0.000 0.658 249 F N 0.998 120.923 119.950 -0.041 0.000 2.780 249 F HA 0.588 5.133 4.527 0.031 0.000 0.299 249 F C 0.801 176.634 175.800 0.055 0.000 1.146 249 F CA -0.412 57.585 58.000 -0.005 0.000 1.428 249 F CB -0.272 38.730 39.000 0.004 0.000 1.115 249 F HN 0.510 nan 8.300 nan 0.000 0.583 250 F N 0.480 120.444 119.950 0.024 0.000 2.578 250 F HA 0.522 5.068 4.527 0.031 0.000 0.311 250 F C -2.692 172.965 175.800 -0.239 0.000 1.094 250 F CA -2.929 55.019 58.000 -0.087 0.000 0.923 250 F CB 1.562 40.517 39.000 -0.075 0.000 1.230 250 F HN -0.332 nan 8.300 nan 0.000 0.450 251 P HA 0.148 nan 4.420 nan 0.000 0.266 251 P C -0.311 176.791 177.300 -0.330 0.000 1.215 251 P CA 0.287 63.134 63.100 -0.422 0.000 0.763 251 P CB 0.582 32.005 31.700 -0.462 0.000 0.806 252 E N 1.885 121.904 120.200 -0.301 0.000 2.435 252 E HA -0.101 4.268 4.350 0.032 0.000 0.195 252 E C 0.704 177.331 176.600 0.045 0.000 1.029 252 E CA 0.623 56.857 56.400 -0.277 0.000 0.865 252 E CB 0.123 29.724 29.700 -0.165 0.000 0.833 252 E HN 0.630 nan 8.360 nan 0.000 0.510 253 E N 0.937 121.137 120.200 0.000 0.000 2.478 253 E HA 0.001 4.370 4.350 0.032 0.000 0.194 253 E C 0.561 177.192 176.600 0.051 0.000 1.045 253 E CA -0.270 56.154 56.400 0.039 0.000 0.868 253 E CB 0.149 29.851 29.700 0.004 0.000 0.885 253 E HN 0.096 nan 8.360 nan 0.000 0.505 254 N N 1.994 120.731 118.700 0.063 0.000 2.458 254 N HA -0.031 4.728 4.740 0.032 0.000 0.258 254 N C -1.654 173.945 175.510 0.149 0.000 1.219 254 N CA -0.914 52.205 53.050 0.116 0.000 0.902 254 N CB 1.052 39.653 38.487 0.189 0.000 1.076 254 N HN -0.096 nan 8.380 nan 0.000 0.455 255 P HA -0.040 nan 4.420 nan 0.000 0.229 255 P C 0.454 177.678 177.300 -0.127 0.000 1.160 255 P CA 1.144 64.179 63.100 -0.108 0.000 0.777 255 P CB 0.155 31.706 31.700 -0.249 0.000 0.814 256 H N -2.450 116.711 119.070 0.152 0.000 2.548 256 H HA 0.017 4.592 4.556 0.032 0.000 0.268 256 H C 0.381 175.750 175.328 0.069 0.000 0.975 256 H CA -0.044 56.061 56.048 0.095 0.000 1.195 256 H CB -0.435 29.378 29.762 0.085 0.000 1.397 256 H HN 0.155 nan 8.280 nan 0.000 0.572 257 Y N 2.724 123.106 120.300 0.137 0.000 2.496 257 Y HA 0.073 4.642 4.550 0.031 0.000 0.334 257 Y C 1.407 177.243 175.900 -0.107 0.000 1.080 257 Y CA -0.651 57.464 58.100 0.026 0.000 1.355 257 Y CB 0.264 38.836 38.460 0.187 0.000 1.193 257 Y HN 0.091 nan 8.280 nan 0.000 0.523 258 I N 2.763 122.836 120.570 -0.829 0.000 4.018 258 I HA 0.626 4.815 4.170 0.032 0.000 0.337 258 I C 0.810 176.413 176.117 -0.858 0.000 1.327 258 I CA 0.439 61.180 61.300 -0.932 0.000 1.100 258 I CB -0.053 37.122 38.000 -1.375 0.000 1.025 258 I HN 0.783 nan 8.210 nan 0.000 0.396 259 G N 1.239 109.158 108.800 -1.470 0.000 2.384 259 G HA2 -0.128 3.851 3.960 0.032 0.000 0.204 259 G HA3 -0.128 3.851 3.960 0.032 0.000 0.204 259 G C -0.539 173.848 174.900 -0.855 0.000 1.237 259 G CA -0.350 44.038 45.100 -1.188 0.000 1.060 259 G HN 0.141 nan 8.290 nan 0.000 0.514 260 T N 0.830 114.808 114.554 -0.959 0.000 2.794 260 T HA 0.528 4.897 4.350 0.032 0.000 0.296 260 T C 0.485 175.136 174.700 -0.082 0.000 0.949 260 T CA 0.876 62.746 62.100 -0.384 0.000 1.101 260 T CB 1.312 70.046 68.868 -0.223 0.000 0.905 260 T HN 1.108 nan 8.240 nan 0.000 0.516 261 S N 3.356 119.033 115.700 -0.039 0.000 2.420 261 S HA 0.454 4.943 4.470 0.032 0.000 0.313 261 S C -1.147 173.570 174.600 0.194 0.000 1.079 261 S CA -0.650 57.596 58.200 0.077 0.000 1.104 261 S CB 0.079 63.300 63.200 0.034 0.000 0.969 261 S HN 0.769 nan 8.310 nan 0.000 0.471 262 W N 5.474 126.808 121.300 0.057 0.000 0.969 262 W HA 0.385 5.064 4.660 0.031 0.000 0.317 262 W C 0.537 177.133 176.519 0.129 0.000 0.875 262 W CA -0.343 57.048 57.345 0.078 0.000 1.411 262 W CB -0.062 29.426 29.460 0.046 0.000 1.457 262 W HN 1.111 nan 8.180 nan 0.000 0.491 263 G N 2.398 111.398 108.800 0.335 0.000 2.611 263 G HA2 -0.422 3.557 3.960 0.032 0.000 0.301 263 G HA3 -0.422 3.557 3.960 0.032 0.000 0.301 263 G C 1.052 176.040 174.900 0.147 0.000 1.233 263 G CA 1.117 46.341 45.100 0.207 0.000 0.993 263 G HN 0.585 nan 8.290 nan 0.000 0.553 264 E N 0.402 120.654 120.200 0.087 0.000 2.511 264 E HA 0.166 4.535 4.350 0.032 0.000 0.196 264 E C 1.695 178.323 176.600 0.046 0.000 1.066 264 E CA 1.286 57.722 56.400 0.059 0.000 0.871 264 E CB -0.051 29.666 29.700 0.028 0.000 0.863 264 E HN 1.311 nan 8.360 nan 0.000 0.520 265 V N -1.620 118.319 119.914 0.042 0.000 3.006 265 V HA 0.312 4.451 4.120 0.032 0.000 0.357 265 V C 0.161 176.377 176.094 0.202 0.000 1.377 265 V CA -0.801 61.527 62.300 0.047 0.000 1.198 265 V CB 0.147 31.907 31.823 -0.105 0.000 1.216 265 V HN 0.030 nan 8.190 nan 0.000 0.520 266 S N 0.424 116.266 115.700 0.237 0.000 2.608 266 S HA 0.517 5.006 4.470 0.032 0.000 0.261 266 S C -0.177 174.637 174.600 0.358 0.000 1.314 266 S CA -0.116 58.270 58.200 0.310 0.000 0.992 266 S CB 0.342 63.685 63.200 0.240 0.000 0.935 266 S HN 0.474 nan 8.310 nan 0.000 0.564 267 Y N 1.746 122.119 120.300 0.122 0.000 2.550 267 Y HA 0.172 4.741 4.550 0.032 0.000 0.343 267 Y C -1.934 174.042 175.900 0.126 0.000 1.245 267 Y CA -1.852 56.313 58.100 0.108 0.000 1.462 267 Y CB -0.799 37.706 38.460 0.074 0.000 1.340 267 Y HN 0.396 nan 8.280 nan 0.000 0.604 268 P HA 0.047 nan 4.420 nan 0.000 0.260 268 P C 0.686 178.125 177.300 0.233 0.000 1.172 268 P CA 1.996 65.184 63.100 0.146 0.000 0.760 268 P CB 0.226 31.965 31.700 0.065 0.000 0.773 269 G N 1.711 110.620 108.800 0.181 0.000 2.267 269 G HA2 -0.329 3.650 3.960 0.032 0.000 0.257 269 G HA3 -0.329 3.650 3.960 0.032 0.000 0.257 269 G C 1.049 176.174 174.900 0.376 0.000 0.998 269 G CA 0.293 45.518 45.100 0.208 0.000 0.620 269 G HN 0.404 nan 8.290 nan 0.000 0.529 270 V N 0.891 121.018 119.914 0.354 0.000 2.358 270 V HA -0.078 4.061 4.120 0.032 0.000 0.246 270 V C 2.451 178.663 176.094 0.196 0.000 1.047 270 V CA 2.832 65.277 62.300 0.241 0.000 1.035 270 V CB -0.295 31.607 31.823 0.131 0.000 0.658 270 V HN 0.631 nan 8.190 nan 0.000 0.452 271 E N 0.398 120.710 120.200 0.187 0.000 2.058 271 E HA -0.312 4.057 4.350 0.032 0.000 0.194 271 E C 2.306 179.004 176.600 0.162 0.000 0.997 271 E CA 1.832 58.327 56.400 0.158 0.000 0.801 271 E CB -0.107 29.679 29.700 0.143 0.000 0.746 271 E HN 0.530 nan 8.360 nan 0.000 0.450 272 K N -0.582 119.937 120.400 0.198 0.000 2.097 272 K HA -0.101 4.238 4.320 0.032 0.000 0.205 272 K C 2.062 178.846 176.600 0.307 0.000 1.050 272 K CA 1.694 58.124 56.287 0.239 0.000 0.938 272 K CB 0.018 32.675 32.500 0.262 0.000 0.718 272 K HN 0.109 nan 8.250 nan 0.000 0.442 273 T N 1.250 116.028 114.554 0.374 0.000 2.777 273 T HA -0.116 4.253 4.350 0.032 0.000 0.266 273 T C 1.726 176.498 174.700 0.120 0.000 1.040 273 T CA 1.147 63.465 62.100 0.363 0.000 1.141 273 T CB -0.028 69.099 68.868 0.433 0.000 0.868 273 T HN 0.148 nan 8.240 nan 0.000 0.444 274 M N 1.123 120.789 119.600 0.110 0.000 2.159 274 M HA 0.009 4.508 4.480 0.032 0.000 0.263 274 M C 2.205 178.527 176.300 0.036 0.000 1.063 274 M CA 1.339 56.677 55.300 0.063 0.000 1.110 274 M CB -0.949 31.698 32.600 0.078 0.000 1.374 274 M HN 0.207 nan 8.290 nan 0.000 0.411 275 K N 0.198 120.625 120.400 0.045 0.000 2.148 275 K HA -0.135 4.204 4.320 0.032 0.000 0.204 275 K C 1.532 178.104 176.600 -0.047 0.000 1.050 275 K CA 0.966 57.265 56.287 0.019 0.000 0.942 275 K CB 0.270 32.799 32.500 0.048 0.000 0.724 275 K HN 0.158 nan 8.250 nan 0.000 0.446 276 E N 0.426 120.545 120.200 -0.135 0.000 2.385 276 E HA 0.054 4.423 4.350 0.032 0.000 0.194 276 E C 0.193 176.633 176.600 -0.267 0.000 1.013 276 E CA 0.183 56.395 56.400 -0.313 0.000 0.866 276 E CB 0.168 29.365 29.700 -0.840 0.000 0.832 276 E HN 0.315 nan 8.360 nan 0.000 0.500 277 A N 1.828 124.552 122.820 -0.159 0.000 2.531 277 A HA -0.038 4.301 4.320 0.032 0.000 0.236 277 A C 0.715 178.263 177.584 -0.060 0.000 1.062 277 A CA 0.098 52.081 52.037 -0.091 0.000 0.760 277 A CB 0.280 19.268 19.000 -0.020 0.000 0.995 277 A HN -0.079 nan 8.150 nan 0.000 0.501 278 D N 0.578 120.947 120.400 -0.052 0.000 2.249 278 D HA 0.255 4.914 4.640 0.032 0.000 0.205 278 D C 0.617 176.916 176.300 -0.001 0.000 0.962 278 D CA 1.745 55.717 54.000 -0.048 0.000 0.860 278 D CB 0.139 40.894 40.800 -0.075 0.000 0.955 278 D HN 0.709 nan 8.370 nan 0.000 0.505 279 A N 0.246 123.097 122.820 0.052 0.000 2.488 279 A HA 0.554 4.893 4.320 0.032 0.000 0.298 279 A C -1.172 176.503 177.584 0.151 0.000 1.044 279 A CA -0.556 51.585 52.037 0.172 0.000 0.693 279 A CB 2.006 21.140 19.000 0.223 0.000 1.272 279 A HN -0.104 nan 8.150 nan 0.000 0.402 280 V N 3.338 123.355 119.914 0.173 0.000 2.407 280 V HA 0.369 4.508 4.120 0.032 0.000 0.291 280 V C -0.451 175.733 176.094 0.150 0.000 1.018 280 V CA -0.150 62.231 62.300 0.135 0.000 0.842 280 V CB 1.362 33.249 31.823 0.107 0.000 0.996 280 V HN 0.729 nan 8.190 nan 0.000 0.426 281 I N 4.680 125.345 120.570 0.159 0.000 2.287 281 I HA 0.506 4.695 4.170 0.032 0.000 0.290 281 I C 0.700 176.901 176.117 0.140 0.000 1.069 281 I CA -0.218 61.180 61.300 0.163 0.000 1.237 281 I CB 1.211 39.350 38.000 0.232 0.000 1.418 281 I HN 0.664 nan 8.210 nan 0.000 0.481 282 A N 8.319 131.215 122.820 0.127 0.000 2.269 282 A HA 0.608 4.947 4.320 0.032 0.000 0.302 282 A C -0.182 177.444 177.584 0.070 0.000 1.266 282 A CA -0.434 51.675 52.037 0.122 0.000 0.894 282 A CB 0.146 19.276 19.000 0.216 0.000 1.147 282 A HN 0.738 nan 8.150 nan 0.000 0.537 283 L N 2.792 124.048 121.223 0.055 0.000 2.270 283 L HA 0.480 4.839 4.340 0.032 0.000 0.286 283 L C 1.033 177.909 176.870 0.010 0.000 1.059 283 L CA 0.036 54.903 54.840 0.045 0.000 0.839 283 L CB 0.660 42.769 42.059 0.082 0.000 1.221 283 L HN 1.070 nan 8.230 nan 0.000 0.431 284 A N 3.494 126.305 122.820 -0.015 0.000 2.667 284 A HA -0.116 4.223 4.320 0.032 0.000 0.298 284 A C -2.422 175.101 177.584 -0.101 0.000 1.483 284 A CA -0.471 51.542 52.037 -0.039 0.000 0.738 284 A CB -1.853 17.143 19.000 -0.006 0.000 1.067 284 A HN 0.470 nan 8.150 nan 0.000 0.451 285 P HA 0.521 nan 4.420 nan 0.000 0.279 285 P C -0.315 176.706 177.300 -0.464 0.000 1.252 285 P CA -0.336 62.493 63.100 -0.452 0.000 0.811 285 P CB 1.384 32.578 31.700 -0.843 0.000 1.035 286 V N 2.942 122.555 119.914 -0.503 0.000 2.349 286 V HA 0.295 4.434 4.120 0.032 0.000 0.284 286 V C -0.629 175.245 176.094 -0.367 0.000 1.014 286 V CA -0.287 61.816 62.300 -0.330 0.000 0.826 286 V CB 0.243 31.968 31.823 -0.163 0.000 1.009 286 V HN 0.312 nan 8.190 nan 0.000 0.431 287 F N 5.677 125.662 119.950 0.059 0.000 2.334 287 F HA 0.463 5.009 4.527 0.031 0.000 0.365 287 F C 0.699 176.584 175.800 0.142 0.000 1.124 287 F CA -0.771 57.288 58.000 0.097 0.000 1.166 287 F CB 0.325 39.412 39.000 0.145 0.000 1.355 287 F HN 0.664 nan 8.300 nan 0.000 0.532 288 N N 0.378 119.181 118.700 0.172 0.000 2.906 288 N HA 0.201 4.960 4.740 0.032 0.000 0.327 288 N C 0.637 175.909 175.510 -0.397 0.000 1.344 288 N CA -0.730 52.346 53.050 0.044 0.000 0.823 288 N CB 0.215 38.720 38.487 0.030 0.000 1.351 288 N HN 0.269 nan 8.380 nan 0.000 0.604 289 D N -1.336 118.699 120.400 -0.608 0.000 2.218 289 D HA -0.198 4.461 4.640 0.032 0.000 0.204 289 D C 1.004 177.184 176.300 -0.201 0.000 0.976 289 D CA 1.392 54.812 54.000 -0.966 0.000 0.853 289 D CB -0.389 40.081 40.800 -0.550 0.000 0.939 289 D HN 0.434 nan 8.370 nan 0.000 0.481 290 Y N 1.711 121.957 120.300 -0.089 0.000 2.206 290 Y HA -0.031 4.539 4.550 0.034 0.000 0.292 290 Y C 2.929 179.116 175.900 0.479 0.000 1.123 290 Y CA 0.784 59.072 58.100 0.314 0.000 1.142 290 Y CB -0.725 37.980 38.460 0.409 0.000 1.006 290 Y HN 0.127 nan 8.280 nan 0.000 0.518 291 S N -1.317 114.588 115.700 0.342 0.000 2.489 291 S HA -0.076 4.413 4.470 0.032 0.000 0.228 291 S C 1.527 176.322 174.600 0.325 0.000 0.995 291 S CA 1.060 59.388 58.200 0.213 0.000 0.934 291 S CB -0.934 62.257 63.200 -0.016 0.000 0.771 291 S HN 0.472 nan 8.310 nan 0.000 0.522 292 T N -1.919 112.772 114.554 0.228 0.000 3.145 292 T HA 0.238 4.607 4.350 0.032 0.000 0.255 292 T C 0.327 175.118 174.700 0.151 0.000 1.039 292 T CA 0.269 62.486 62.100 0.196 0.000 0.928 292 T CB -0.765 68.183 68.868 0.134 0.000 1.029 292 T HN 0.275 nan 8.240 nan 0.000 0.554 293 T N 1.933 116.624 114.554 0.228 0.000 3.580 293 T HA -0.065 4.304 4.350 0.032 0.000 0.402 293 T C 1.213 175.838 174.700 -0.125 0.000 0.765 293 T CA 0.873 63.011 62.100 0.064 0.000 2.064 293 T CB -2.195 66.736 68.868 0.105 0.000 1.724 293 T HN 1.746 nan 8.240 nan 0.000 0.719 294 G N 0.669 109.309 108.800 -0.266 0.000 2.246 294 G HA2 -0.277 3.702 3.960 0.032 0.000 0.273 294 G HA3 -0.277 3.702 3.960 0.032 0.000 0.273 294 G C 0.455 175.300 174.900 -0.092 0.000 1.055 294 G CA 0.621 45.542 45.100 -0.297 0.000 0.851 294 G HN 1.352 nan 8.290 nan 0.000 0.500 295 W N -2.974 118.374 121.300 0.081 0.000 3.456 295 W HA -0.324 4.354 4.660 0.030 0.000 0.314 295 W C 1.850 178.396 176.519 0.045 0.000 1.192 295 W CA 1.341 58.724 57.345 0.064 0.000 0.654 295 W CB -2.285 27.200 29.460 0.043 0.000 2.251 295 W HN 1.016 nan 8.180 nan 0.000 1.360 296 T N -4.423 110.241 114.554 0.183 0.000 3.037 296 T HA 0.052 4.421 4.350 0.032 0.000 0.252 296 T C 0.521 175.295 174.700 0.124 0.000 1.073 296 T CA 1.071 63.248 62.100 0.129 0.000 1.091 296 T CB 0.275 69.187 68.868 0.074 0.000 0.935 296 T HN 0.066 nan 8.240 nan 0.000 0.488 297 D N 0.929 121.417 120.400 0.145 0.000 2.483 297 D HA 0.376 5.035 4.640 0.032 0.000 0.281 297 D C -0.902 175.476 176.300 0.129 0.000 1.174 297 D CA -0.705 53.379 54.000 0.140 0.000 0.938 297 D CB -0.343 40.564 40.800 0.178 0.000 1.002 297 D HN 0.428 nan 8.370 nan 0.000 0.501 298 I N 3.266 123.886 120.570 0.084 0.000 2.354 298 I HA 0.339 4.528 4.170 0.032 0.000 0.292 298 I C -1.597 174.470 176.117 -0.084 0.000 0.989 298 I CA -1.978 59.317 61.300 -0.010 0.000 1.188 298 I CB 1.499 39.518 38.000 0.032 0.000 1.342 298 I HN 0.173 nan 8.210 nan 0.000 0.457 299 P HA -0.028 nan 4.420 nan 0.000 0.266 299 P C -0.665 176.571 177.300 -0.107 0.000 1.195 299 P CA -0.150 62.861 63.100 -0.148 0.000 0.768 299 P CB 0.605 32.160 31.700 -0.243 0.000 0.838 300 D N 3.727 124.105 120.400 -0.036 0.000 2.412 300 D HA 0.026 4.685 4.640 0.032 0.000 0.257 300 D C -1.452 174.842 176.300 -0.010 0.000 1.217 300 D CA -1.841 52.151 54.000 -0.014 0.000 0.897 300 D CB 0.600 41.407 40.800 0.013 0.000 1.132 300 D HN 0.118 nan 8.370 nan 0.000 0.493 301 P HA -0.099 nan 4.420 nan 0.000 0.220 301 P C 0.607 177.919 177.300 0.020 0.000 1.148 301 P CA 1.229 64.318 63.100 -0.019 0.000 0.803 301 P CB 0.259 31.945 31.700 -0.023 0.000 0.782 302 K N -0.660 119.770 120.400 0.051 0.000 2.418 302 K HA 0.047 4.386 4.320 0.032 0.000 0.195 302 K C 1.565 178.299 176.600 0.223 0.000 1.035 302 K CA 0.757 57.110 56.287 0.109 0.000 1.003 302 K CB 0.038 32.587 32.500 0.082 0.000 0.793 302 K HN 0.124 nan 8.250 nan 0.000 0.494 303 K N 0.034 120.543 120.400 0.182 0.000 2.355 303 K HA 0.123 4.462 4.320 0.032 0.000 0.198 303 K C -0.320 176.434 176.600 0.256 0.000 1.039 303 K CA -0.253 56.195 56.287 0.268 0.000 1.075 303 K CB 0.463 33.046 32.500 0.138 0.000 0.870 303 K HN -0.054 nan 8.250 nan 0.000 0.540 304 L N 1.896 123.179 121.223 0.100 0.000 2.290 304 L HA 0.175 4.534 4.340 0.032 0.000 0.284 304 L C -0.731 176.081 176.870 -0.098 0.000 1.078 304 L CA -0.275 54.581 54.840 0.027 0.000 0.815 304 L CB 1.230 43.290 42.059 0.002 0.000 1.162 304 L HN -0.243 nan 8.230 nan 0.000 0.435 305 V N 6.724 126.610 119.914 -0.046 0.000 2.347 305 V HA 0.303 4.442 4.120 0.032 0.000 0.280 305 V C -0.310 175.775 176.094 -0.015 0.000 1.021 305 V CA -0.579 61.663 62.300 -0.097 0.000 0.847 305 V CB 1.307 33.116 31.823 -0.023 0.000 0.990 305 V HN 0.570 nan 8.190 nan 0.000 0.444 306 L N 5.833 127.031 121.223 -0.041 0.000 2.272 306 L HA 0.724 5.083 4.340 0.032 0.000 0.284 306 L C 0.489 177.318 176.870 -0.068 0.000 1.045 306 L CA -0.201 54.638 54.840 -0.002 0.000 0.842 306 L CB 0.842 42.915 42.059 0.023 0.000 1.224 306 L HN 0.685 nan 8.230 nan 0.000 0.430 307 A N 5.576 128.355 122.820 -0.070 0.000 2.582 307 A HA 0.534 4.873 4.320 0.032 0.000 0.336 307 A C 0.140 177.669 177.584 -0.091 0.000 1.445 307 A CA -0.660 51.279 52.037 -0.162 0.000 0.997 307 A CB -0.188 18.731 19.000 -0.135 0.000 1.148 307 A HN 0.682 nan 8.150 nan 0.000 0.514 308 E N 2.652 122.796 120.200 -0.093 0.000 2.376 308 E HA 0.129 4.498 4.350 0.032 0.000 0.254 308 E C -1.698 174.873 176.600 -0.048 0.000 1.213 308 E CA -1.704 54.662 56.400 -0.056 0.000 0.945 308 E CB 0.015 29.687 29.700 -0.047 0.000 1.057 308 E HN 0.258 nan 8.360 nan 0.000 0.479 309 P HA -0.112 nan 4.420 nan 0.000 0.216 309 P C 0.673 177.986 177.300 0.022 0.000 1.150 309 P CA 1.621 64.725 63.100 0.006 0.000 0.843 309 P CB 0.223 31.926 31.700 0.005 0.000 0.787 310 R N -1.528 118.958 120.500 -0.024 0.000 2.572 310 R HA 0.297 4.656 4.340 0.032 0.000 0.370 310 R C 0.026 176.257 176.300 -0.115 0.000 1.005 310 R CA 0.109 56.163 56.100 -0.077 0.000 1.146 310 R CB 0.630 30.891 30.300 -0.066 0.000 1.390 310 R HN 0.195 nan 8.270 nan 0.000 0.553 311 S N -1.346 114.293 115.700 -0.101 0.000 2.567 311 S HA 0.530 5.019 4.470 0.032 0.000 0.270 311 S C -0.971 173.544 174.600 -0.141 0.000 1.152 311 S CA -0.795 57.347 58.200 -0.098 0.000 0.835 311 S CB 2.279 65.441 63.200 -0.063 0.000 1.115 311 S HN -0.135 nan 8.310 nan 0.000 0.459 312 V N 1.398 121.239 119.914 -0.122 0.000 2.588 312 V HA 0.635 4.774 4.120 0.032 0.000 0.304 312 V C -0.831 175.258 176.094 -0.008 0.000 1.042 312 V CA -0.675 61.512 62.300 -0.188 0.000 0.877 312 V CB 1.801 33.351 31.823 -0.455 0.000 0.996 312 V HN 0.866 nan 8.190 nan 0.000 0.425 313 V N 5.167 125.050 119.914 -0.052 0.000 2.357 313 V HA 0.674 4.813 4.120 0.032 0.000 0.284 313 V C -0.367 175.690 176.094 -0.061 0.000 1.018 313 V CA -0.515 61.763 62.300 -0.036 0.000 0.841 313 V CB 1.624 33.411 31.823 -0.059 0.000 0.991 313 V HN 0.643 nan 8.190 nan 0.000 0.437 314 V N 5.080 124.987 119.914 -0.012 0.000 2.851 314 V HA 0.583 4.722 4.120 0.032 0.000 0.307 314 V C 0.203 176.238 176.094 -0.098 0.000 1.129 314 V CA -0.405 61.825 62.300 -0.117 0.000 0.932 314 V CB 1.882 33.682 31.823 -0.039 0.000 1.024 314 V HN 0.958 nan 8.190 nan 0.000 0.426 315 N N 4.293 122.806 118.700 -0.311 0.000 2.735 315 N HA -0.152 4.607 4.740 0.032 0.000 0.248 315 N C 0.874 176.378 175.510 -0.010 0.000 1.083 315 N CA 1.972 54.973 53.050 -0.082 0.000 0.703 315 N CB -1.168 37.389 38.487 0.117 0.000 1.005 315 N HN 2.329 nan 8.380 nan 0.000 0.550 316 G N -1.436 107.326 108.800 -0.063 0.000 2.148 316 G HA2 -0.281 3.698 3.960 0.032 0.000 0.254 316 G HA3 -0.281 3.698 3.960 0.032 0.000 0.254 316 G C 0.093 174.942 174.900 -0.086 0.000 0.981 316 G CA 0.538 45.608 45.100 -0.050 0.000 0.670 316 G HN 0.579 nan 8.290 nan 0.000 0.528 317 I N -0.492 120.009 120.570 -0.116 0.000 2.545 317 I HA 0.478 4.667 4.170 0.032 0.000 0.292 317 I C 0.333 176.208 176.117 -0.403 0.000 1.040 317 I CA -1.091 60.039 61.300 -0.284 0.000 1.068 317 I CB 2.071 39.856 38.000 -0.358 0.000 1.251 317 I HN 0.093 nan 8.210 nan 0.000 0.424 318 R N 5.275 125.496 120.500 -0.466 0.000 2.265 318 R HA 0.527 4.886 4.340 0.032 0.000 0.319 318 R C -1.736 174.236 176.300 -0.547 0.000 1.006 318 R CA -0.337 55.547 56.100 -0.359 0.000 0.880 318 R CB 0.733 30.913 30.300 -0.200 0.000 1.077 318 R HN 0.433 nan 8.270 nan 0.000 0.454 319 F N 6.972 126.865 119.950 -0.096 0.000 2.359 319 F HA 0.368 4.914 4.527 0.032 0.000 0.370 319 F C -1.803 173.932 175.800 -0.109 0.000 1.077 319 F CA -2.197 55.747 58.000 -0.093 0.000 1.136 319 F CB 1.324 40.264 39.000 -0.101 0.000 1.387 319 F HN 0.392 nan 8.300 nan 0.000 0.468 320 P HA 0.096 nan 4.420 nan 0.000 0.275 320 P C 0.078 177.360 177.300 -0.029 0.000 1.266 320 P CA -0.059 63.028 63.100 -0.022 0.000 0.793 320 P CB 1.012 32.689 31.700 -0.037 0.000 1.074 321 S N -2.962 112.682 115.700 -0.094 0.000 3.635 321 S HA -0.086 4.403 4.470 0.032 0.000 0.328 321 S C -0.012 174.484 174.600 -0.173 0.000 1.135 321 S CA 0.589 58.701 58.200 -0.148 0.000 0.942 321 S CB -2.062 61.092 63.200 -0.076 0.000 0.930 321 S HN 0.409 nan 8.310 nan 0.000 0.512 322 V N 1.884 121.690 119.914 -0.181 0.000 2.349 322 V HA 0.315 4.454 4.120 0.032 0.000 0.284 322 V C 0.216 176.220 176.094 -0.151 0.000 1.014 322 V CA -0.735 61.481 62.300 -0.139 0.000 0.826 322 V CB 1.077 32.842 31.823 -0.097 0.000 1.009 322 V HN 0.500 nan 8.190 nan 0.000 0.431 323 H N 3.409 122.478 119.070 -0.001 0.000 2.803 323 H HA 0.110 4.685 4.556 0.031 0.000 0.330 323 H C 0.894 176.234 175.328 0.020 0.000 1.057 323 H CA -0.390 55.658 56.048 0.000 0.000 1.458 323 H CB 1.265 31.030 29.762 0.004 0.000 1.470 323 H HN 0.562 nan 8.280 nan 0.000 0.560 324 L N 3.817 125.121 121.223 0.134 0.000 2.043 324 L HA -0.214 4.145 4.340 0.032 0.000 0.212 324 L C 2.232 179.179 176.870 0.129 0.000 1.075 324 L CA 1.857 56.763 54.840 0.110 0.000 0.752 324 L CB -0.516 41.580 42.059 0.061 0.000 0.891 324 L HN 0.646 nan 8.230 nan 0.000 0.432 325 K N -0.885 119.571 120.400 0.093 0.000 2.032 325 K HA -0.203 4.136 4.320 0.032 0.000 0.209 325 K C 1.710 178.341 176.600 0.052 0.000 1.048 325 K CA 1.878 58.194 56.287 0.049 0.000 0.927 325 K CB -0.171 32.332 32.500 0.006 0.000 0.712 325 K HN 0.417 nan 8.250 nan 0.000 0.441 326 D N -0.397 120.055 120.400 0.088 0.000 2.117 326 D HA -0.171 4.488 4.640 0.032 0.000 0.198 326 D C 1.771 178.109 176.300 0.063 0.000 0.982 326 D CA 0.938 54.980 54.000 0.070 0.000 0.828 326 D CB -0.385 40.475 40.800 0.100 0.000 0.967 326 D HN 0.295 nan 8.370 nan 0.000 0.464 327 Y N 1.728 122.001 120.300 -0.044 0.000 2.145 327 Y HA -0.161 4.409 4.550 0.033 0.000 0.286 327 Y C 2.199 178.018 175.900 -0.135 0.000 1.145 327 Y CA 1.322 59.363 58.100 -0.098 0.000 1.148 327 Y CB -0.495 37.897 38.460 -0.114 0.000 0.981 327 Y HN -0.119 nan 8.280 nan 0.000 0.507 328 L N -0.885 120.227 121.223 -0.184 0.000 2.056 328 L HA -0.217 4.142 4.340 0.032 0.000 0.207 328 L C 2.349 179.118 176.870 -0.169 0.000 1.078 328 L CA 1.796 56.448 54.840 -0.313 0.000 0.749 328 L CB -0.859 41.137 42.059 -0.106 0.000 0.901 328 L HN 0.215 nan 8.230 nan 0.000 0.433 329 T N -0.983 113.524 114.554 -0.077 0.000 2.708 329 T HA -0.221 4.148 4.350 0.032 0.000 0.266 329 T C 2.014 176.681 174.700 -0.055 0.000 1.037 329 T CA 1.426 63.505 62.100 -0.035 0.000 1.146 329 T CB -0.163 68.695 68.868 -0.016 0.000 0.865 329 T HN 0.139 nan 8.240 nan 0.000 0.435 330 R N 0.787 121.233 120.500 -0.090 0.000 2.075 330 R HA 0.070 4.429 4.340 0.032 0.000 0.232 330 R C 2.163 178.390 176.300 -0.122 0.000 1.126 330 R CA 0.948 56.995 56.100 -0.088 0.000 0.963 330 R CB -0.938 29.315 30.300 -0.079 0.000 0.858 330 R HN 0.267 nan 8.270 nan 0.000 0.435 331 L N 0.228 121.305 121.223 -0.244 0.000 2.131 331 L HA 0.074 4.433 4.340 0.032 0.000 0.210 331 L C 1.989 178.855 176.870 -0.008 0.000 1.092 331 L CA 2.071 56.767 54.840 -0.242 0.000 0.759 331 L CB -0.837 40.852 42.059 -0.616 0.000 0.903 331 L HN 0.285 nan 8.230 nan 0.000 0.435 332 A N -1.464 121.384 122.820 0.047 0.000 2.015 332 A HA -0.197 4.142 4.320 0.032 0.000 0.219 332 A C 2.137 179.748 177.584 0.045 0.000 1.163 332 A CA 1.436 53.548 52.037 0.124 0.000 0.646 332 A CB -0.410 18.660 19.000 0.117 0.000 0.806 332 A HN 0.644 nan 8.150 nan 0.000 0.448 333 Q N -0.980 118.827 119.800 0.012 0.000 2.389 333 Q HA 0.035 4.394 4.340 0.032 0.000 0.204 333 Q C 1.467 177.469 176.000 0.002 0.000 0.944 333 Q CA 0.972 56.776 55.803 0.003 0.000 0.908 333 Q CB 0.111 28.844 28.738 -0.008 0.000 1.002 333 Q HN 0.583 nan 8.270 nan 0.000 0.493 334 K N -0.544 119.858 120.400 0.003 0.000 2.435 334 K HA 0.165 4.504 4.320 0.032 0.000 0.199 334 K C 0.142 176.752 176.600 0.017 0.000 1.153 334 K CA -0.070 56.219 56.287 0.003 0.000 0.974 334 K CB 1.193 33.687 32.500 -0.011 0.000 0.997 334 K HN -0.058 nan 8.250 nan 0.000 0.547 335 V N 2.770 122.706 119.914 0.036 0.000 2.811 335 V HA 0.044 4.183 4.120 0.032 0.000 0.302 335 V C 0.127 176.235 176.094 0.024 0.000 1.063 335 V CA -0.090 62.242 62.300 0.053 0.000 1.088 335 V CB 1.278 33.174 31.823 0.122 0.000 0.982 335 V HN 0.380 nan 8.190 nan 0.000 0.485 336 S N 5.336 121.049 115.700 0.021 0.000 2.693 336 S HA 0.545 5.034 4.470 0.032 0.000 0.276 336 S C -0.322 174.275 174.600 -0.006 0.000 1.192 336 S CA -0.768 57.437 58.200 0.008 0.000 0.994 336 S CB 1.128 64.335 63.200 0.012 0.000 1.012 336 S HN 0.690 nan 8.310 nan 0.000 0.550 337 K N 1.154 121.549 120.400 -0.008 0.000 2.447 337 K HA 0.190 4.529 4.320 0.032 0.000 0.281 337 K C -0.476 176.120 176.600 -0.007 0.000 1.031 337 K CA 0.610 56.888 56.287 -0.014 0.000 1.019 337 K CB 0.190 32.692 32.500 0.002 0.000 0.918 337 K HN 0.527 nan 8.250 nan 0.000 0.476 338 K N 3.199 123.587 120.400 -0.019 0.000 2.752 338 K HA 0.078 4.417 4.320 0.032 0.000 0.199 338 K C -0.064 176.539 176.600 0.005 0.000 1.069 338 K CA -0.144 56.142 56.287 -0.003 0.000 1.033 338 K CB 1.175 33.675 32.500 -0.000 0.000 1.229 338 K HN 0.772 nan 8.250 nan 0.000 0.572 339 T N -2.800 111.771 114.554 0.029 0.000 3.107 339 T HA 0.002 4.371 4.350 0.032 0.000 0.249 339 T C 1.831 176.576 174.700 0.076 0.000 1.096 339 T CA 0.583 62.716 62.100 0.056 0.000 1.012 339 T CB 0.239 69.147 68.868 0.066 0.000 0.977 339 T HN 0.460 nan 8.240 nan 0.000 0.527 340 G N 1.868 110.705 108.800 0.061 0.000 2.513 340 G HA2 -0.161 3.818 3.960 0.032 0.000 0.219 340 G HA3 -0.161 3.818 3.960 0.032 0.000 0.219 340 G C 1.764 176.738 174.900 0.124 0.000 1.160 340 G CA 0.918 46.064 45.100 0.077 0.000 0.767 340 G HN 0.743 nan 8.290 nan 0.000 0.571 341 A N -0.288 122.595 122.820 0.105 0.000 1.975 341 A HA 0.301 4.640 4.320 0.032 0.000 0.215 341 A C 2.292 180.022 177.584 0.242 0.000 1.170 341 A CA 1.376 53.504 52.037 0.151 0.000 0.656 341 A CB -0.275 18.768 19.000 0.071 0.000 0.821 341 A HN 0.395 nan 8.150 nan 0.000 0.449 342 L N 0.335 121.663 121.223 0.176 0.000 2.046 342 L HA -0.147 4.212 4.340 0.032 0.000 0.208 342 L C 1.579 178.598 176.870 0.248 0.000 1.077 342 L CA 2.352 57.314 54.840 0.204 0.000 0.747 342 L CB -0.677 41.475 42.059 0.155 0.000 0.896 342 L HN 0.329 nan 8.230 nan 0.000 0.432 343 D N -0.904 119.611 120.400 0.193 0.000 2.104 343 D HA -0.264 4.395 4.640 0.032 0.000 0.194 343 D C 2.058 178.460 176.300 0.170 0.000 0.994 343 D CA 1.660 55.752 54.000 0.154 0.000 0.830 343 D CB -0.412 40.463 40.800 0.124 0.000 0.959 343 D HN 0.414 nan 8.370 nan 0.000 0.452 344 F N 0.722 120.725 119.950 0.089 0.000 2.126 344 F HA -0.214 4.332 4.527 0.032 0.000 0.299 344 F C 2.142 177.999 175.800 0.095 0.000 1.096 344 F CA 1.071 59.117 58.000 0.077 0.000 1.255 344 F CB -0.400 38.648 39.000 0.079 0.000 0.997 344 F HN -0.101 nan 8.300 nan 0.000 0.479 345 F N 1.480 121.506 119.950 0.126 0.000 2.095 345 F HA -0.194 4.352 4.527 0.032 0.000 0.298 345 F C 2.250 178.003 175.800 -0.079 0.000 1.104 345 F CA 2.151 60.163 58.000 0.020 0.000 1.232 345 F CB -0.663 38.389 39.000 0.086 0.000 0.987 345 F HN -0.133 nan 8.300 nan 0.000 0.475 346 K N 0.086 120.444 120.400 -0.070 0.000 2.057 346 K HA -0.166 4.173 4.320 0.032 0.000 0.207 346 K C 2.229 178.677 176.600 -0.254 0.000 1.049 346 K CA 1.669 57.849 56.287 -0.179 0.000 0.931 346 K CB -0.492 32.016 32.500 0.013 0.000 0.714 346 K HN 0.420 nan 8.250 nan 0.000 0.440 347 S N 0.812 116.374 115.700 -0.230 0.000 2.555 347 S HA -0.016 4.473 4.470 0.032 0.000 0.230 347 S C 1.742 176.149 174.600 -0.322 0.000 0.978 347 S CA 0.546 58.606 58.200 -0.233 0.000 0.934 347 S CB -0.322 62.765 63.200 -0.189 0.000 0.766 347 S HN 0.199 nan 8.310 nan 0.000 0.533 348 L N 0.696 121.655 121.223 -0.440 0.000 2.313 348 L HA 0.080 4.439 4.340 0.032 0.000 0.214 348 L C 0.468 177.160 176.870 -0.297 0.000 1.119 348 L CA 0.168 54.764 54.840 -0.406 0.000 0.809 348 L CB -0.770 41.011 42.059 -0.464 0.000 0.933 348 L HN 0.275 nan 8.230 nan 0.000 0.449 349 N N -0.243 118.277 118.700 -0.301 0.000 2.721 349 N HA -0.241 4.518 4.740 0.032 0.000 0.249 349 N C 0.980 176.370 175.510 -0.199 0.000 1.072 349 N CA 0.862 53.782 53.050 -0.217 0.000 0.710 349 N CB -0.914 37.486 38.487 -0.145 0.000 0.993 349 N HN 0.436 nan 8.380 nan 0.000 0.547 350 A N -0.262 122.396 122.820 -0.271 0.000 2.121 350 A HA 0.383 4.722 4.320 0.032 0.000 0.218 350 A C 1.506 179.022 177.584 -0.112 0.000 1.154 350 A CA 1.629 53.558 52.037 -0.181 0.000 0.679 350 A CB -0.286 18.599 19.000 -0.192 0.000 0.795 350 A HN 1.366 nan 8.150 nan 0.000 0.458 351 G N -0.997 107.733 108.800 -0.118 0.000 2.828 351 G HA2 -0.040 3.939 3.960 0.032 0.000 0.463 351 G HA3 -0.040 3.939 3.960 0.032 0.000 0.463 351 G C -0.421 174.475 174.900 -0.006 0.000 1.394 351 G CA 0.004 45.071 45.100 -0.055 0.000 0.862 351 G HN 0.647 nan 8.290 nan 0.000 0.540 352 E N -1.282 118.924 120.200 0.009 0.000 2.314 352 E HA 0.609 4.978 4.350 0.032 0.000 0.262 352 E C 0.601 177.187 176.600 -0.023 0.000 1.093 352 E CA -0.828 55.591 56.400 0.031 0.000 0.908 352 E CB 1.008 30.730 29.700 0.038 0.000 1.091 352 E HN 1.047 nan 8.360 nan 0.000 0.425 353 L N 2.673 123.845 121.223 -0.085 0.000 2.584 353 L HA 0.048 4.407 4.340 0.032 0.000 0.272 353 L C 0.054 176.860 176.870 -0.107 0.000 1.195 353 L CA 0.832 55.556 54.840 -0.194 0.000 0.920 353 L CB 0.070 41.852 42.059 -0.463 0.000 1.173 353 L HN 0.423 nan 8.230 nan 0.000 0.489 354 K N 5.765 126.115 120.400 -0.084 0.000 2.378 354 K HA 0.162 4.501 4.320 0.032 0.000 0.288 354 K C -0.681 175.891 176.600 -0.046 0.000 1.057 354 K CA -0.047 56.210 56.287 -0.050 0.000 0.971 354 K CB 0.274 32.750 32.500 -0.039 0.000 0.975 354 K HN 0.619 nan 8.250 nan 0.000 0.475 355 K N 2.197 122.579 120.400 -0.030 0.000 2.259 355 K HA 0.375 4.714 4.320 0.032 0.000 0.249 355 K C -0.745 175.848 176.600 -0.012 0.000 0.942 355 K CA -0.905 55.370 56.287 -0.020 0.000 0.816 355 K CB 1.927 34.419 32.500 -0.013 0.000 1.155 355 K HN 0.645 nan 8.250 nan 0.000 0.428 356 A N 1.606 124.421 122.820 -0.009 0.000 2.498 356 A HA 0.438 4.777 4.320 0.032 0.000 0.239 356 A C 0.067 177.649 177.584 -0.003 0.000 1.068 356 A CA -0.101 51.932 52.037 -0.006 0.000 0.766 356 A CB 0.159 19.156 19.000 -0.004 0.000 1.003 356 A HN 0.783 nan 8.150 nan 0.000 0.497 357 A N 3.169 125.988 122.820 -0.002 0.000 2.332 357 A HA 0.609 4.948 4.320 0.032 0.000 0.258 357 A C -2.183 175.403 177.584 0.002 0.000 1.087 357 A CA -1.373 50.664 52.037 0.000 0.000 0.802 357 A CB -0.691 18.309 19.000 0.000 0.000 1.042 357 A HN 0.680 nan 8.150 nan 0.000 0.489 358 P HA 0.214 nan 4.420 nan 0.000 0.260 358 P C -0.102 177.202 177.300 0.006 0.000 1.172 358 P CA 0.683 63.787 63.100 0.006 0.000 0.760 358 P CB 0.330 32.035 31.700 0.008 0.000 0.773 359 A N 3.100 125.925 122.820 0.007 0.000 2.313 359 A HA 0.218 4.557 4.320 0.032 0.000 0.261 359 A C 0.296 177.886 177.584 0.009 0.000 1.090 359 A CA -0.367 51.675 52.037 0.007 0.000 0.807 359 A CB -0.005 19.000 19.000 0.009 0.000 1.055 359 A HN 0.522 nan 8.150 nan 0.000 0.492 360 D N 0.509 120.914 120.400 0.007 0.000 2.382 360 D HA 0.219 4.878 4.640 0.032 0.000 0.259 360 D C -1.657 174.649 176.300 0.010 0.000 1.224 360 D CA -1.384 52.620 54.000 0.007 0.000 0.894 360 D CB 0.771 41.574 40.800 0.005 0.000 1.127 360 D HN 0.089 nan 8.370 nan 0.000 0.487 361 P HA -0.145 nan 4.420 nan 0.000 0.218 361 P C 0.896 178.205 177.300 0.015 0.000 1.146 361 P CA 1.186 64.295 63.100 0.016 0.000 0.813 361 P CB 0.091 31.800 31.700 0.016 0.000 0.778 362 S N -2.353 113.353 115.700 0.010 0.000 2.548 362 S HA 0.366 4.855 4.470 0.032 0.000 0.215 362 S C 1.017 175.620 174.600 0.005 0.000 0.976 362 S CA -0.228 57.976 58.200 0.007 0.000 0.908 362 S CB -0.572 62.630 63.200 0.003 0.000 0.781 362 S HN 0.095 nan 8.310 nan 0.000 0.519 363 A N 2.748 125.572 122.820 0.007 0.000 2.386 363 A HA 0.597 4.936 4.320 0.032 0.000 0.248 363 A C -2.533 175.057 177.584 0.010 0.000 1.082 363 A CA -1.558 50.482 52.037 0.006 0.000 0.789 363 A CB -0.533 18.471 19.000 0.005 0.000 1.025 363 A HN 0.271 nan 8.150 nan 0.000 0.490 364 P HA 0.097 nan 4.420 nan 0.000 0.262 364 P C -0.291 177.024 177.300 0.025 0.000 1.182 364 P CA -0.094 63.015 63.100 0.015 0.000 0.761 364 P CB 0.204 31.909 31.700 0.009 0.000 0.795 365 L N 5.749 126.998 121.223 0.043 0.000 2.490 365 L HA 0.167 4.526 4.340 0.032 0.000 0.274 365 L C -0.116 176.778 176.870 0.041 0.000 1.201 365 L CA 0.344 55.215 54.840 0.051 0.000 0.869 365 L CB 0.135 42.243 42.059 0.083 0.000 1.123 365 L HN 0.227 nan 8.230 nan 0.000 0.484 366 V N 2.095 122.025 119.914 0.028 0.000 2.960 366 V HA 0.530 4.669 4.120 0.032 0.000 0.315 366 V C 0.820 176.923 176.094 0.015 0.000 1.087 366 V CA -0.514 61.795 62.300 0.016 0.000 0.982 366 V CB 1.517 33.342 31.823 0.005 0.000 1.039 366 V HN 0.812 nan 8.190 nan 0.000 0.437 367 N N 2.146 120.852 118.700 0.011 0.000 2.061 367 N HA -0.177 4.582 4.740 0.032 0.000 0.193 367 N C 1.667 177.183 175.510 0.009 0.000 1.030 367 N CA 2.632 55.691 53.050 0.014 0.000 0.856 367 N CB -0.272 38.227 38.487 0.019 0.000 1.023 367 N HN 1.010 nan 8.380 nan 0.000 0.424 368 A N -0.218 122.605 122.820 0.006 0.000 1.972 368 A HA -0.135 4.204 4.320 0.032 0.000 0.219 368 A C 2.136 179.718 177.584 -0.002 0.000 1.169 368 A CA 1.820 53.859 52.037 0.003 0.000 0.635 368 A CB -0.718 18.283 19.000 0.001 0.000 0.810 368 A HN 0.512 nan 8.150 nan 0.000 0.446 369 E N 0.408 120.608 120.200 0.000 0.000 2.072 369 E HA -0.089 4.280 4.350 0.032 0.000 0.190 369 E C 1.684 178.278 176.600 -0.011 0.000 0.982 369 E CA 1.210 57.610 56.400 0.000 0.000 0.803 369 E CB -0.396 29.311 29.700 0.011 0.000 0.755 369 E HN 0.634 nan 8.360 nan 0.000 0.453 370 I N 0.551 121.112 120.570 -0.014 0.000 2.163 370 I HA -0.285 3.904 4.170 0.032 0.000 0.243 370 I C 2.413 178.461 176.117 -0.116 0.000 1.085 370 I CA 1.190 62.459 61.300 -0.051 0.000 1.347 370 I CB -0.524 37.457 38.000 -0.032 0.000 1.044 370 I HN 0.202 nan 8.210 nan 0.000 0.408 371 A N 0.713 123.490 122.820 -0.072 0.000 1.902 371 A HA -0.249 4.090 4.320 0.032 0.000 0.217 371 A C 2.462 180.007 177.584 -0.065 0.000 1.181 371 A CA 1.747 53.742 52.037 -0.070 0.000 0.623 371 A CB -0.684 18.308 19.000 -0.012 0.000 0.818 371 A HN 0.358 nan 8.150 nan 0.000 0.443 372 R N -0.435 120.041 120.500 -0.041 0.000 2.083 372 R HA -0.192 4.167 4.340 0.032 0.000 0.237 372 R C 2.353 178.630 176.300 -0.038 0.000 1.137 372 R CA 1.984 58.068 56.100 -0.026 0.000 0.951 372 R CB -0.317 29.976 30.300 -0.011 0.000 0.851 372 R HN 0.702 nan 8.270 nan 0.000 0.434 373 Q N -0.386 119.382 119.800 -0.053 0.000 2.123 373 Q HA -0.088 4.271 4.340 0.032 0.000 0.199 373 Q C 2.198 178.142 176.000 -0.094 0.000 0.966 373 Q CA 1.431 57.207 55.803 -0.045 0.000 0.845 373 Q CB 0.145 28.875 28.738 -0.013 0.000 0.907 373 Q HN 0.228 nan 8.270 nan 0.000 0.439 374 V N 1.370 121.149 119.914 -0.225 0.000 2.343 374 V HA -0.263 3.876 4.120 0.032 0.000 0.247 374 V C 2.184 178.201 176.094 -0.127 0.000 1.051 374 V CA 2.034 64.147 62.300 -0.311 0.000 1.036 374 V CB -0.538 30.962 31.823 -0.539 0.000 0.654 374 V HN 0.414 nan 8.190 nan 0.000 0.451 375 E N 0.414 120.563 120.200 -0.086 0.000 2.118 375 E HA -0.230 4.139 4.350 0.032 0.000 0.195 375 E C 2.094 178.688 176.600 -0.010 0.000 0.992 375 E CA 1.316 57.698 56.400 -0.030 0.000 0.804 375 E CB -0.211 29.483 29.700 -0.010 0.000 0.741 375 E HN 0.591 nan 8.360 nan 0.000 0.458 376 A N 0.405 123.219 122.820 -0.010 0.000 2.168 376 A HA -0.026 4.313 4.320 0.032 0.000 0.215 376 A C 1.954 179.550 177.584 0.019 0.000 1.152 376 A CA 0.465 52.507 52.037 0.008 0.000 0.716 376 A CB -0.235 18.772 19.000 0.011 0.000 0.794 376 A HN 0.303 nan 8.150 nan 0.000 0.465 377 L N -0.347 120.887 121.223 0.020 0.000 2.418 377 L HA 0.132 4.491 4.340 0.032 0.000 0.218 377 L C 0.163 177.055 176.870 0.037 0.000 1.125 377 L CA -0.149 54.718 54.840 0.044 0.000 0.835 377 L CB -0.225 41.882 42.059 0.079 0.000 0.953 377 L HN 0.293 nan 8.230 nan 0.000 0.454 378 L N 1.109 122.345 121.223 0.022 0.000 2.477 378 L HA 0.065 4.424 4.340 0.032 0.000 0.272 378 L C 0.642 177.524 176.870 0.020 0.000 1.157 378 L CA 0.193 55.044 54.840 0.018 0.000 0.889 378 L CB 0.176 42.241 42.059 0.010 0.000 1.158 378 L HN 0.200 nan 8.230 nan 0.000 0.473 379 T N -0.138 114.428 114.554 0.020 0.000 2.888 379 T HA 0.441 4.810 4.350 0.032 0.000 0.288 379 T C -2.227 172.480 174.700 0.011 0.000 1.063 379 T CA -1.988 60.123 62.100 0.017 0.000 1.010 379 T CB 2.055 70.935 68.868 0.021 0.000 1.214 379 T HN 0.186 nan 8.240 nan 0.000 0.533 380 P HA 0.044 nan 4.420 nan 0.000 0.226 380 P C 0.735 178.038 177.300 0.005 0.000 1.146 380 P CA 0.774 63.874 63.100 -0.001 0.000 0.773 380 P CB -0.039 31.658 31.700 -0.005 0.000 0.772 381 N N -1.717 116.991 118.700 0.013 0.000 2.230 381 N HA 0.029 4.788 4.740 0.032 0.000 0.202 381 N C -0.380 175.151 175.510 0.036 0.000 1.119 381 N CA 0.198 53.260 53.050 0.021 0.000 0.851 381 N CB 0.002 38.501 38.487 0.020 0.000 0.990 381 N HN -0.106 nan 8.380 nan 0.000 0.497 382 T N -0.481 114.091 114.554 0.031 0.000 2.902 382 T HA 0.445 4.814 4.350 0.032 0.000 0.283 382 T C -0.514 174.201 174.700 0.024 0.000 1.009 382 T CA -0.229 61.892 62.100 0.034 0.000 1.051 382 T CB 1.667 70.552 68.868 0.027 0.000 0.999 382 T HN -0.105 nan 8.240 nan 0.000 0.474 383 T N 2.151 116.713 114.554 0.013 0.000 2.879 383 T HA 0.470 4.839 4.350 0.032 0.000 0.290 383 T C -0.572 174.062 174.700 -0.110 0.000 0.993 383 T CA -0.487 61.570 62.100 -0.070 0.000 0.975 383 T CB 1.180 69.963 68.868 -0.143 0.000 0.981 383 T HN 0.323 nan 8.240 nan 0.000 0.439 384 V N 5.222 125.062 119.914 -0.123 0.000 2.370 384 V HA 0.411 4.550 4.120 0.032 0.000 0.279 384 V C -0.073 175.934 176.094 -0.144 0.000 1.029 384 V CA -0.893 61.349 62.300 -0.096 0.000 0.870 384 V CB 1.092 32.873 31.823 -0.070 0.000 0.984 384 V HN 0.725 nan 8.190 nan 0.000 0.451 385 I N 4.701 125.207 120.570 -0.108 0.000 2.301 385 I HA 0.507 4.696 4.170 0.032 0.000 0.292 385 I C 0.546 176.711 176.117 0.081 0.000 1.046 385 I CA -0.084 61.177 61.300 -0.064 0.000 1.282 385 I CB 1.034 38.933 38.000 -0.169 0.000 1.409 385 I HN 0.651 nan 8.210 nan 0.000 0.484 386 A N 5.749 128.692 122.820 0.205 0.000 2.271 386 A HA 0.517 4.856 4.320 0.032 0.000 0.317 386 A C 0.039 177.972 177.584 0.582 0.000 1.245 386 A CA -0.567 51.672 52.037 0.335 0.000 0.857 386 A CB 0.792 19.989 19.000 0.327 0.000 1.175 386 A HN 0.671 nan 8.150 nan 0.000 0.512 387 E N 1.757 122.203 120.200 0.410 0.000 2.373 387 E HA 0.348 4.717 4.350 0.032 0.000 0.263 387 E C 0.125 176.773 176.600 0.080 0.000 1.073 387 E CA 0.115 56.729 56.400 0.356 0.000 0.894 387 E CB 0.514 30.335 29.700 0.202 0.000 1.008 387 E HN 0.571 nan 8.360 nan 0.000 0.420 388 T N 2.639 117.099 114.554 -0.157 0.000 2.933 388 T HA 0.456 4.825 4.350 0.032 0.000 0.306 388 T C 0.360 174.661 174.700 -0.664 0.000 1.045 388 T CA 0.847 62.358 62.100 -0.981 0.000 1.143 388 T CB -0.001 68.511 68.868 -0.593 0.000 1.003 388 T HN 0.767 nan 8.240 nan 0.000 0.540 389 G N 3.023 111.341 108.800 -0.802 0.000 2.265 389 G HA2 -0.106 3.873 3.960 0.032 0.000 0.246 389 G HA3 -0.106 3.873 3.960 0.032 0.000 0.246 389 G C 0.308 175.208 174.900 -0.000 0.000 1.299 389 G CA 0.028 44.971 45.100 -0.262 0.000 1.117 389 G HN 0.545 nan 8.290 nan 0.000 0.485 390 D N -0.004 120.459 120.400 0.105 0.000 2.218 390 D HA 0.027 4.686 4.640 0.032 0.000 0.204 390 D C 2.552 179.017 176.300 0.276 0.000 0.976 390 D CA 1.881 56.024 54.000 0.239 0.000 0.853 390 D CB -0.102 40.782 40.800 0.141 0.000 0.939 390 D HN 0.278 nan 8.370 nan 0.000 0.481 391 S N -0.377 115.431 115.700 0.181 0.000 2.383 391 S HA -0.170 4.319 4.470 0.032 0.000 0.229 391 S C 1.507 176.318 174.600 0.352 0.000 1.030 391 S CA 0.713 59.042 58.200 0.215 0.000 1.002 391 S CB -0.319 62.988 63.200 0.178 0.000 0.829 391 S HN 0.451 nan 8.310 nan 0.000 0.467 392 W N 1.176 122.536 121.300 0.100 0.000 2.318 392 W HA -0.081 4.597 4.660 0.030 0.000 0.313 392 W C 1.848 178.284 176.519 -0.139 0.000 1.221 392 W CA 0.547 57.839 57.345 -0.087 0.000 1.266 392 W CB -1.335 27.801 29.460 -0.540 0.000 1.150 392 W HN 0.345 nan 8.180 nan 0.000 0.496 393 F N -0.114 120.016 119.950 0.299 0.000 2.335 393 F HA -0.096 4.450 4.527 0.032 0.000 0.296 393 F C 2.149 178.049 175.800 0.168 0.000 1.091 393 F CA 0.950 59.067 58.000 0.195 0.000 1.399 393 F CB -1.026 38.023 39.000 0.082 0.000 1.067 393 F HN -0.203 nan 8.300 nan 0.000 0.520 394 N N 0.737 119.621 118.700 0.307 0.000 2.084 394 N HA -0.145 4.614 4.740 0.032 0.000 0.190 394 N C 2.068 177.676 175.510 0.163 0.000 1.030 394 N CA 1.483 54.646 53.050 0.188 0.000 0.849 394 N CB -0.677 37.886 38.487 0.128 0.000 1.012 394 N HN 0.269 nan 8.380 nan 0.000 0.423 395 A N 0.570 123.503 122.820 0.188 0.000 1.930 395 A HA -0.144 4.195 4.320 0.032 0.000 0.217 395 A C 2.191 179.878 177.584 0.172 0.000 1.175 395 A CA 1.336 53.457 52.037 0.140 0.000 0.627 395 A CB -0.532 18.540 19.000 0.120 0.000 0.815 395 A HN 0.230 nan 8.150 nan 0.000 0.443 396 Q N 0.061 120.011 119.800 0.250 0.000 2.226 396 Q HA -0.065 4.294 4.340 0.032 0.000 0.204 396 Q C 1.901 178.096 176.000 0.326 0.000 0.975 396 Q CA 1.577 57.536 55.803 0.260 0.000 0.866 396 Q CB -0.246 28.643 28.738 0.253 0.000 0.915 396 Q HN 0.659 nan 8.270 nan 0.000 0.440 397 R N -1.079 119.587 120.500 0.276 0.000 2.299 397 R HA 0.185 4.544 4.340 0.032 0.000 0.197 397 R C 0.050 176.469 176.300 0.198 0.000 0.971 397 R CA -0.033 56.208 56.100 0.234 0.000 1.030 397 R CB 0.104 30.484 30.300 0.133 0.000 0.932 397 R HN 0.276 nan 8.270 nan 0.000 0.477 398 M N 1.164 120.870 119.600 0.177 0.000 2.211 398 M HA 0.116 4.615 4.480 0.032 0.000 0.356 398 M C 0.070 176.464 176.300 0.155 0.000 1.216 398 M CA -0.377 54.997 55.300 0.123 0.000 1.134 398 M CB 1.068 33.709 32.600 0.067 0.000 1.564 398 M HN -0.351 nan 8.290 nan 0.000 0.463 399 K N 3.991 124.470 120.400 0.132 0.000 2.316 399 K HA 0.386 4.725 4.320 0.032 0.000 0.289 399 K C -1.414 175.235 176.600 0.081 0.000 1.070 399 K CA 0.095 56.465 56.287 0.138 0.000 0.928 399 K CB 0.132 32.708 32.500 0.128 0.000 1.039 399 K HN 0.597 nan 8.250 nan 0.000 0.480 400 L N 7.641 128.902 121.223 0.062 0.000 2.276 400 L HA 0.417 4.776 4.340 0.032 0.000 0.286 400 L C -1.947 174.928 176.870 0.007 0.000 1.061 400 L CA -2.371 52.480 54.840 0.018 0.000 0.807 400 L CB 1.196 43.246 42.059 -0.013 0.000 1.177 400 L HN 0.555 nan 8.230 nan 0.000 0.429 401 P HA 0.058 nan 4.420 nan 0.000 0.271 401 P C -0.800 176.486 177.300 -0.023 0.000 1.216 401 P CA -0.419 62.679 63.100 -0.003 0.000 0.776 401 P CB 0.339 32.041 31.700 0.002 0.000 0.881 402 N N 1.743 120.422 118.700 -0.036 0.000 2.359 402 N HA 0.203 4.962 4.740 0.032 0.000 0.261 402 N C 1.620 177.103 175.510 -0.045 0.000 1.267 402 N CA 1.834 54.849 53.050 -0.059 0.000 0.864 402 N CB -0.287 38.158 38.487 -0.069 0.000 1.063 402 N HN 0.755 nan 8.380 nan 0.000 0.474 403 G N 0.129 108.900 108.800 -0.048 0.000 2.284 403 G HA2 -0.200 3.779 3.960 0.032 0.000 0.216 403 G HA3 -0.200 3.779 3.960 0.032 0.000 0.216 403 G C 0.228 175.119 174.900 -0.015 0.000 1.009 403 G CA 0.070 45.151 45.100 -0.031 0.000 0.625 403 G HN 0.904 nan 8.290 nan 0.000 0.501 404 A N 1.282 124.093 122.820 -0.016 0.000 2.477 404 A HA 0.666 5.005 4.320 0.032 0.000 0.246 404 A C 0.611 178.187 177.584 -0.013 0.000 1.078 404 A CA 0.395 52.427 52.037 -0.009 0.000 0.770 404 A CB 0.292 19.286 19.000 -0.011 0.000 1.011 404 A HN 0.433 nan 8.150 nan 0.000 0.494 405 R N 1.147 121.640 120.500 -0.011 0.000 2.711 405 R HA 0.635 4.994 4.340 0.032 0.000 0.284 405 R C -1.365 174.883 176.300 -0.085 0.000 0.968 405 R CA -0.734 55.356 56.100 -0.015 0.000 0.924 405 R CB 1.637 31.957 30.300 0.034 0.000 1.162 405 R HN 0.420 nan 8.270 nan 0.000 0.465 406 V N 2.318 122.154 119.914 -0.130 0.000 2.540 406 V HA 0.309 4.448 4.120 0.032 0.000 0.302 406 V C -0.295 175.623 176.094 -0.294 0.000 1.035 406 V CA -0.811 61.322 62.300 -0.278 0.000 0.873 406 V CB 2.212 33.779 31.823 -0.427 0.000 0.992 406 V HN 0.533 nan 8.190 nan 0.000 0.428 407 E N 3.474 123.512 120.200 -0.269 0.000 2.145 407 E HA 0.488 4.857 4.350 0.032 0.000 0.270 407 E C -1.569 175.019 176.600 -0.020 0.000 0.906 407 E CA -0.404 55.952 56.400 -0.074 0.000 0.761 407 E CB 2.041 31.770 29.700 0.049 0.000 1.116 407 E HN 0.519 nan 8.360 nan 0.000 0.408 408 Y N 0.408 120.703 120.300 -0.008 0.000 2.509 408 Y HA 0.240 4.809 4.550 0.031 0.000 0.341 408 Y C 0.731 176.389 175.900 -0.404 0.000 1.038 408 Y CA -0.981 57.004 58.100 -0.191 0.000 1.089 408 Y CB 1.641 39.839 38.460 -0.437 0.000 1.241 408 Y HN 0.398 nan 8.280 nan 0.000 0.468 409 E N 3.218 123.157 120.200 -0.435 0.000 3.312 409 E HA 0.211 4.580 4.350 0.032 0.000 0.215 409 E C 0.079 176.584 176.600 -0.159 0.000 1.160 409 E CA 0.053 56.089 56.400 -0.607 0.000 1.267 409 E CB 0.130 28.942 29.700 -1.481 0.000 1.361 409 E HN 0.819 nan 8.360 nan 0.000 0.433 410 M N 0.678 120.138 119.600 -0.234 0.000 2.558 410 M HA -0.059 4.440 4.480 0.032 0.000 0.255 410 M C 1.856 178.111 176.300 -0.076 0.000 1.113 410 M CA 0.723 55.844 55.300 -0.300 0.000 1.097 410 M CB 0.343 32.446 32.600 -0.829 0.000 1.426 410 M HN 0.192 nan 8.290 nan 0.000 0.488 411 Q N 0.031 119.811 119.800 -0.032 0.000 2.107 411 Q HA -0.101 4.258 4.340 0.032 0.000 0.195 411 Q C 1.783 177.878 176.000 0.158 0.000 0.964 411 Q CA 1.525 57.351 55.803 0.039 0.000 0.833 411 Q CB -0.301 28.472 28.738 0.059 0.000 0.910 411 Q HN 0.617 nan 8.270 nan 0.000 0.465 412 W N 0.542 121.826 121.300 -0.027 0.000 2.444 412 W HA 0.074 4.749 4.660 0.026 0.000 0.308 412 W C 0.559 177.112 176.519 0.057 0.000 1.183 412 W CA 1.469 58.833 57.345 0.032 0.000 1.340 412 W CB -0.049 29.452 29.460 0.067 0.000 1.138 412 W HN 0.388 nan 8.180 nan 0.000 0.510 413 G N 1.402 110.305 108.800 0.172 0.000 2.295 413 G HA2 -0.325 3.654 3.960 0.032 0.000 0.287 413 G HA3 -0.325 3.654 3.960 0.032 0.000 0.287 413 G C -0.201 174.718 174.900 0.032 0.000 1.055 413 G CA 0.390 45.573 45.100 0.138 0.000 0.922 413 G HN 0.558 nan 8.290 nan 0.000 0.503 414 H N 0.695 119.772 119.070 0.012 0.000 2.864 414 H HA 0.389 4.963 4.556 0.030 0.000 0.281 414 H C 1.365 176.740 175.328 0.079 0.000 1.093 414 H CA -0.163 55.918 56.048 0.055 0.000 1.453 414 H CB 0.286 30.247 29.762 0.333 0.000 1.462 414 H HN 0.644 nan 8.280 nan 0.000 0.480 415 I N 1.499 122.124 120.570 0.091 0.000 2.648 415 I HA 0.264 4.453 4.170 0.032 0.000 0.284 415 I C 1.119 177.408 176.117 0.286 0.000 1.153 415 I CA 0.844 62.224 61.300 0.134 0.000 1.426 415 I CB 0.693 38.698 38.000 0.008 0.000 1.381 415 I HN 0.761 nan 8.210 nan 0.000 0.571 416 G N 4.888 113.812 108.800 0.207 0.000 2.213 416 G HA2 -0.340 3.639 3.960 0.032 0.000 0.236 416 G HA3 -0.340 3.639 3.960 0.032 0.000 0.236 416 G C 0.384 175.309 174.900 0.043 0.000 0.991 416 G CA 0.472 45.663 45.100 0.151 0.000 0.629 416 G HN 1.093 nan 8.290 nan 0.000 0.517 417 W N 2.773 123.925 121.300 -0.246 0.000 2.321 417 W HA -0.141 4.538 4.660 0.031 0.000 0.306 417 W C 2.544 178.897 176.519 -0.277 0.000 1.217 417 W CA 3.469 60.406 57.345 -0.680 0.000 1.257 417 W CB -0.495 28.593 29.460 -0.620 0.000 1.145 417 W HN 0.699 nan 8.180 nan 0.000 0.509 418 S N -0.102 115.432 115.700 -0.278 0.000 2.399 418 S HA -0.211 4.278 4.470 0.032 0.000 0.231 418 S C 1.685 176.032 174.600 -0.422 0.000 1.022 418 S CA 1.658 59.495 58.200 -0.605 0.000 0.983 418 S CB -1.050 62.117 63.200 -0.054 0.000 0.803 418 S HN 0.194 nan 8.310 nan 0.000 0.480 419 V N 3.225 123.015 119.914 -0.206 0.000 2.255 419 V HA -0.013 4.126 4.120 0.032 0.000 0.243 419 V C -0.386 175.654 176.094 -0.090 0.000 1.038 419 V CA 1.706 63.950 62.300 -0.093 0.000 1.008 419 V CB -1.708 30.072 31.823 -0.072 0.000 0.645 419 V HN 0.381 nan 8.190 nan 0.000 0.449 420 P HA -0.085 nan 4.420 nan 0.000 0.218 420 P C 1.625 178.901 177.300 -0.040 0.000 1.149 420 P CA 1.855 64.960 63.100 0.009 0.000 0.817 420 P CB -0.144 31.603 31.700 0.078 0.000 0.785 421 A N 0.357 122.976 122.820 -0.334 0.000 1.902 421 A HA -0.123 4.216 4.320 0.032 0.000 0.217 421 A C 2.358 179.809 177.584 -0.221 0.000 1.181 421 A CA 2.207 53.982 52.037 -0.437 0.000 0.623 421 A CB -1.617 16.607 19.000 -1.294 0.000 0.818 421 A HN 0.202 nan 8.150 nan 0.000 0.443 422 A N -1.130 121.556 122.820 -0.224 0.000 1.933 422 A HA -0.002 4.337 4.320 0.032 0.000 0.218 422 A C 2.016 179.658 177.584 0.097 0.000 1.175 422 A CA 1.597 53.600 52.037 -0.057 0.000 0.628 422 A CB -0.708 18.260 19.000 -0.054 0.000 0.814 422 A HN 0.723 nan 8.150 nan 0.000 0.444 423 F N 1.301 121.233 119.950 -0.030 0.000 2.046 423 F HA -0.067 4.478 4.527 0.031 0.000 0.297 423 F C 2.300 178.145 175.800 0.074 0.000 1.123 423 F CA 1.756 59.769 58.000 0.022 0.000 1.199 423 F CB -0.953 38.047 39.000 -0.001 0.000 0.972 423 F HN 0.176 nan 8.300 nan 0.000 0.474 424 G N -1.354 107.342 108.800 -0.174 0.000 2.440 424 G HA2 -0.360 3.619 3.960 0.032 0.000 0.218 424 G HA3 -0.360 3.619 3.960 0.032 0.000 0.218 424 G C 1.652 176.554 174.900 0.003 0.000 1.154 424 G CA 0.979 45.945 45.100 -0.223 0.000 0.767 424 G HN 0.528 nan 8.290 nan 0.000 0.552 425 Y N 1.881 122.129 120.300 -0.085 0.000 2.128 425 Y HA -0.047 4.522 4.550 0.031 0.000 0.284 425 Y C 2.971 178.816 175.900 -0.092 0.000 1.154 425 Y CA 1.624 59.680 58.100 -0.074 0.000 1.149 425 Y CB -0.279 38.143 38.460 -0.063 0.000 0.976 425 Y HN 0.250 nan 8.280 nan 0.000 0.505 426 A N -1.006 121.872 122.820 0.096 0.000 1.972 426 A HA -0.136 4.203 4.320 0.032 0.000 0.219 426 A C 2.290 179.807 177.584 -0.111 0.000 1.169 426 A CA 1.773 53.826 52.037 0.026 0.000 0.635 426 A CB -1.217 17.824 19.000 0.068 0.000 0.810 426 A HN 0.337 nan 8.150 nan 0.000 0.446 427 V N -0.392 119.395 119.914 -0.212 0.000 2.427 427 V HA -0.148 3.991 4.120 0.032 0.000 0.248 427 V C 2.637 178.577 176.094 -0.258 0.000 1.051 427 V CA 1.945 64.064 62.300 -0.301 0.000 1.048 427 V CB -1.045 30.515 31.823 -0.439 0.000 0.666 427 V HN 0.615 nan 8.190 nan 0.000 0.456 428 G N -1.028 107.642 108.800 -0.218 0.000 2.683 428 G HA2 0.273 4.252 3.960 0.032 0.000 0.213 428 G HA3 0.273 4.252 3.960 0.032 0.000 0.213 428 G C 0.688 175.349 174.900 -0.398 0.000 1.142 428 G CA 0.737 45.569 45.100 -0.447 0.000 0.793 428 G HN 0.645 nan 8.290 nan 0.000 0.534 429 A N 0.451 123.054 122.820 -0.361 0.000 3.317 429 A HA 0.649 4.988 4.320 0.032 0.000 0.307 429 A C -1.765 175.752 177.584 -0.111 0.000 1.003 429 A CA -0.795 51.079 52.037 -0.271 0.000 0.882 429 A CB 1.077 19.821 19.000 -0.427 0.000 1.136 429 A HN 0.034 nan 8.150 nan 0.000 0.488 430 P HA -0.121 nan 4.420 nan 0.000 0.229 430 P C 1.264 178.562 177.300 -0.003 0.000 1.160 430 P CA 0.990 64.076 63.100 -0.023 0.000 0.777 430 P CB 0.296 31.986 31.700 -0.016 0.000 0.814 431 E N 0.369 120.561 120.200 -0.014 0.000 2.482 431 E HA -0.065 4.304 4.350 0.032 0.000 0.196 431 E C 0.457 177.064 176.600 0.013 0.000 1.047 431 E CA 0.457 56.855 56.400 -0.002 0.000 0.869 431 E CB -0.164 29.528 29.700 -0.014 0.000 0.836 431 E HN 0.269 nan 8.360 nan 0.000 0.520 432 R N 0.798 121.315 120.500 0.028 0.000 2.596 432 R HA 0.383 4.742 4.340 0.032 0.000 0.267 432 R C 0.225 176.564 176.300 0.066 0.000 1.026 432 R CA -0.825 55.309 56.100 0.057 0.000 1.087 432 R CB 1.241 31.603 30.300 0.103 0.000 1.132 432 R HN -0.043 nan 8.270 nan 0.000 0.531 433 R N 2.106 122.644 120.500 0.064 0.000 2.248 433 R HA 0.081 4.440 4.340 0.032 0.000 0.337 433 R C -0.967 175.379 176.300 0.077 0.000 1.085 433 R CA -0.192 55.947 56.100 0.065 0.000 0.934 433 R CB 0.197 30.532 30.300 0.058 0.000 1.034 433 R HN 0.483 nan 8.270 nan 0.000 0.465 434 N N 6.094 124.844 118.700 0.083 0.000 2.437 434 N HA 0.276 5.035 4.740 0.032 0.000 0.259 434 N C -0.665 174.885 175.510 0.067 0.000 0.983 434 N CA -0.213 52.884 53.050 0.079 0.000 0.937 434 N CB 1.525 40.085 38.487 0.120 0.000 1.122 434 N HN 0.526 nan 8.380 nan 0.000 0.499 435 I N 2.224 122.828 120.570 0.057 0.000 2.433 435 I HA 0.292 4.481 4.170 0.032 0.000 0.292 435 I C -0.613 175.560 176.117 0.092 0.000 1.001 435 I CA -1.017 60.354 61.300 0.119 0.000 1.119 435 I CB 1.984 40.093 38.000 0.182 0.000 1.289 435 I HN 0.156 nan 8.210 nan 0.000 0.438 436 L N 7.754 129.055 121.223 0.131 0.000 2.305 436 L HA 0.562 4.921 4.340 0.032 0.000 0.284 436 L C -0.910 176.073 176.870 0.189 0.000 1.013 436 L CA -0.203 54.700 54.840 0.105 0.000 0.819 436 L CB 1.299 43.400 42.059 0.070 0.000 1.227 436 L HN 0.524 nan 8.230 nan 0.000 0.417 437 M N 6.223 125.920 119.600 0.162 0.000 2.101 437 M HA 0.545 5.044 4.480 0.032 0.000 0.340 437 M C -1.191 175.192 176.300 0.138 0.000 1.057 437 M CA -0.611 54.790 55.300 0.168 0.000 0.984 437 M CB 1.759 34.434 32.600 0.126 0.000 1.560 437 M HN 0.492 nan 8.290 nan 0.000 0.435 438 V N 2.862 122.840 119.914 0.106 0.000 2.851 438 V HA 0.800 4.939 4.120 0.032 0.000 0.307 438 V C -0.220 175.878 176.094 0.008 0.000 1.129 438 V CA -0.343 62.008 62.300 0.084 0.000 0.932 438 V CB 2.313 34.217 31.823 0.135 0.000 1.024 438 V HN 0.925 nan 8.190 nan 0.000 0.426 439 G N 3.341 112.141 108.800 -0.000 0.000 2.539 439 G HA2 0.334 4.313 3.960 0.032 0.000 0.258 439 G HA3 0.334 4.313 3.960 0.032 0.000 0.258 439 G C 0.631 175.457 174.900 -0.123 0.000 1.202 439 G CA 0.435 45.499 45.100 -0.060 0.000 0.851 439 G HN 0.991 nan 8.290 nan 0.000 0.556 440 D N 0.860 121.117 120.400 -0.238 0.000 2.104 440 D HA -0.146 4.513 4.640 0.032 0.000 0.194 440 D C 2.272 178.474 176.300 -0.163 0.000 0.994 440 D CA 1.645 55.409 54.000 -0.395 0.000 0.830 440 D CB -1.084 39.468 40.800 -0.414 0.000 0.959 440 D HN 0.490 nan 8.370 nan 0.000 0.452 441 G N 0.082 108.827 108.800 -0.091 0.000 2.440 441 G HA2 -0.288 3.691 3.960 0.032 0.000 0.218 441 G HA3 -0.288 3.691 3.960 0.032 0.000 0.218 441 G C 1.826 176.708 174.900 -0.029 0.000 1.154 441 G CA 1.544 46.607 45.100 -0.061 0.000 0.767 441 G HN 0.410 nan 8.290 nan 0.000 0.552 442 S N 0.339 116.039 115.700 -0.000 0.000 2.387 442 S HA -0.047 4.442 4.470 0.032 0.000 0.226 442 S C 1.885 176.530 174.600 0.076 0.000 1.026 442 S CA 0.866 59.090 58.200 0.041 0.000 0.972 442 S CB -0.385 62.847 63.200 0.053 0.000 0.814 442 S HN 0.387 nan 8.310 nan 0.000 0.477 443 F N 2.720 122.623 119.950 -0.078 0.000 2.161 443 F HA -0.187 4.359 4.527 0.033 0.000 0.300 443 F C 2.352 178.149 175.800 -0.004 0.000 1.089 443 F CA 1.518 59.490 58.000 -0.046 0.000 1.282 443 F CB -0.441 38.484 39.000 -0.126 0.000 1.010 443 F HN 0.186 nan 8.300 nan 0.000 0.485 444 Q N -0.262 119.508 119.800 -0.050 0.000 2.226 444 Q HA -0.187 4.172 4.340 0.032 0.000 0.204 444 Q C 2.093 178.113 176.000 0.032 0.000 0.975 444 Q CA 1.382 57.089 55.803 -0.161 0.000 0.866 444 Q CB -0.291 28.234 28.738 -0.356 0.000 0.915 444 Q HN 0.408 nan 8.270 nan 0.000 0.440 445 L N -0.111 121.130 121.223 0.030 0.000 2.141 445 L HA -0.105 4.254 4.340 0.032 0.000 0.209 445 L C 1.872 178.795 176.870 0.090 0.000 1.094 445 L CA 1.743 56.642 54.840 0.098 0.000 0.763 445 L CB -0.057 42.087 42.059 0.142 0.000 0.908 445 L HN 0.293 nan 8.230 nan 0.000 0.437 446 T N -6.036 108.515 114.554 -0.004 0.000 3.399 446 T HA 0.381 4.750 4.350 0.032 0.000 0.305 446 T C 1.424 176.023 174.700 -0.168 0.000 0.983 446 T CA 0.192 62.274 62.100 -0.029 0.000 0.967 446 T CB 0.097 68.968 68.868 0.005 0.000 1.186 446 T HN 0.046 nan 8.240 nan 0.000 0.504 447 A N 2.786 125.448 122.820 -0.263 0.000 1.958 447 A HA -0.225 4.114 4.320 0.032 0.000 0.221 447 A C 2.456 179.970 177.584 -0.118 0.000 1.178 447 A CA 1.933 53.692 52.037 -0.463 0.000 0.642 447 A CB -0.626 18.281 19.000 -0.155 0.000 0.816 447 A HN 0.709 nan 8.150 nan 0.000 0.453 448 Q N -0.657 119.115 119.800 -0.047 0.000 2.364 448 Q HA -0.181 4.178 4.340 0.032 0.000 0.209 448 Q C 1.229 176.977 176.000 -0.420 0.000 0.977 448 Q CA 1.705 57.387 55.803 -0.202 0.000 0.885 448 Q CB -0.395 28.290 28.738 -0.087 0.000 0.941 448 Q HN 0.600 nan 8.270 nan 0.000 0.464 449 E N 0.929 120.949 120.200 -0.298 0.000 2.347 449 E HA -0.023 4.346 4.350 0.032 0.000 0.196 449 E C 1.855 178.215 176.600 -0.399 0.000 1.008 449 E CA 0.344 56.522 56.400 -0.371 0.000 0.852 449 E CB -0.053 29.487 29.700 -0.267 0.000 0.783 449 E HN 0.218 nan 8.360 nan 0.000 0.505 450 V N 0.408 120.160 119.914 -0.269 0.000 2.469 450 V HA -0.290 3.849 4.120 0.032 0.000 0.251 450 V C 2.237 178.169 176.094 -0.271 0.000 1.064 450 V CA 1.660 63.898 62.300 -0.104 0.000 1.066 450 V CB -0.823 31.148 31.823 0.247 0.000 0.667 450 V HN 0.382 nan 8.190 nan 0.000 0.461 451 A N -0.601 121.780 122.820 -0.733 0.000 1.978 451 A HA -0.237 4.102 4.320 0.032 0.000 0.220 451 A C 2.184 179.579 177.584 -0.315 0.000 1.170 451 A CA 1.545 53.203 52.037 -0.632 0.000 0.636 451 A CB -0.336 18.124 19.000 -0.901 0.000 0.810 451 A HN 0.550 nan 8.150 nan 0.000 0.448 452 Q N -0.722 118.829 119.800 -0.416 0.000 2.172 452 Q HA -0.012 4.347 4.340 0.032 0.000 0.200 452 Q C 2.100 178.020 176.000 -0.133 0.000 0.964 452 Q CA 1.240 56.802 55.803 -0.402 0.000 0.855 452 Q CB -0.501 27.664 28.738 -0.954 0.000 0.918 452 Q HN 0.790 nan 8.270 nan 0.000 0.444 453 M N -0.076 119.472 119.600 -0.086 0.000 2.108 453 M HA -0.161 4.338 4.480 0.032 0.000 0.261 453 M C 2.244 178.619 176.300 0.126 0.000 1.066 453 M CA 1.228 56.635 55.300 0.180 0.000 1.107 453 M CB -0.411 32.289 32.600 0.167 0.000 1.356 453 M HN -0.030 nan 8.290 nan 0.000 0.406 454 V N 0.100 120.055 119.914 0.068 0.000 2.295 454 V HA -0.283 3.856 4.120 0.032 0.000 0.246 454 V C 2.408 178.548 176.094 0.077 0.000 1.049 454 V CA 1.993 64.344 62.300 0.084 0.000 1.024 454 V CB -0.836 31.045 31.823 0.097 0.000 0.648 454 V HN 0.471 nan 8.190 nan 0.000 0.447 455 R N -0.153 120.380 120.500 0.056 0.000 2.091 455 R HA -0.128 4.231 4.340 0.032 0.000 0.238 455 R C 1.910 178.267 176.300 0.094 0.000 1.136 455 R CA 1.613 57.752 56.100 0.066 0.000 0.959 455 R CB -0.165 30.162 30.300 0.046 0.000 0.856 455 R HN 0.460 nan 8.270 nan 0.000 0.437 456 L N 0.565 121.867 121.223 0.132 0.000 2.628 456 L HA 0.154 4.513 4.340 0.032 0.000 0.229 456 L C 0.060 176.993 176.870 0.105 0.000 1.137 456 L CA 0.130 55.049 54.840 0.132 0.000 0.909 456 L CB 0.122 42.292 42.059 0.185 0.000 1.137 456 L HN 0.167 nan 8.230 nan 0.000 0.470 457 K N 0.711 121.171 120.400 0.100 0.000 3.096 457 K HA -0.165 4.174 4.320 0.032 0.000 0.266 457 K C -0.462 176.187 176.600 0.082 0.000 1.043 457 K CA 0.408 56.744 56.287 0.082 0.000 0.758 457 K CB -1.922 30.616 32.500 0.064 0.000 1.260 457 K HN 0.297 nan 8.250 nan 0.000 0.481 458 L N 0.831 122.117 121.223 0.105 0.000 2.290 458 L HA 0.244 4.603 4.340 0.032 0.000 0.284 458 L C -1.631 175.292 176.870 0.089 0.000 1.078 458 L CA -2.156 52.742 54.840 0.097 0.000 0.815 458 L CB 0.473 42.609 42.059 0.128 0.000 1.162 458 L HN -0.146 nan 8.230 nan 0.000 0.435 459 P HA 0.075 nan 4.420 nan 0.000 0.226 459 P C -0.197 177.138 177.300 0.058 0.000 1.758 459 P CA -0.113 63.022 63.100 0.058 0.000 0.896 459 P CB -0.089 31.640 31.700 0.047 0.000 1.784 460 V N 1.533 121.490 119.914 0.072 0.000 2.637 460 V HA 0.048 4.187 4.120 0.032 0.000 0.296 460 V C 0.972 177.082 176.094 0.027 0.000 1.046 460 V CA 0.045 62.385 62.300 0.066 0.000 1.066 460 V CB 0.416 32.295 31.823 0.094 0.000 0.968 460 V HN 0.185 nan 8.190 nan 0.000 0.483 461 I N 5.955 126.528 120.570 0.004 0.000 2.312 461 I HA 0.409 4.598 4.170 0.032 0.000 0.290 461 I C -0.255 175.776 176.117 -0.143 0.000 1.008 461 I CA -0.108 61.131 61.300 -0.100 0.000 1.226 461 I CB 0.961 38.902 38.000 -0.098 0.000 1.371 461 I HN 0.436 nan 8.210 nan 0.000 0.468 462 I N 6.492 126.931 120.570 -0.218 0.000 2.330 462 I HA 0.278 4.467 4.170 0.032 0.000 0.289 462 I C -0.742 175.182 176.117 -0.321 0.000 1.001 462 I CA -0.427 60.785 61.300 -0.145 0.000 1.193 462 I CB 0.841 38.820 38.000 -0.036 0.000 1.345 462 I HN 0.363 nan 8.210 nan 0.000 0.461 463 F N 6.836 126.771 119.950 -0.024 0.000 2.368 463 F HA 0.248 4.794 4.527 0.031 0.000 0.362 463 F C 0.109 175.846 175.800 -0.105 0.000 1.137 463 F CA -0.485 57.485 58.000 -0.050 0.000 1.161 463 F CB 0.729 39.717 39.000 -0.019 0.000 1.265 463 F HN 0.299 nan 8.300 nan 0.000 0.530 464 L N 6.217 127.387 121.223 -0.088 0.000 2.261 464 L HA 0.392 4.751 4.340 0.032 0.000 0.289 464 L C -0.546 176.186 176.870 -0.230 0.000 1.059 464 L CA -0.422 54.259 54.840 -0.265 0.000 0.816 464 L CB 0.381 42.120 42.059 -0.533 0.000 1.191 464 L HN 0.352 nan 8.230 nan 0.000 0.431 465 I N 5.363 125.829 120.570 -0.173 0.000 2.294 465 I HA 0.117 4.306 4.170 0.032 0.000 0.295 465 I C 0.504 176.492 176.117 -0.214 0.000 1.098 465 I CA -0.112 61.107 61.300 -0.135 0.000 1.277 465 I CB -0.053 37.921 38.000 -0.043 0.000 1.434 465 I HN 0.538 nan 8.210 nan 0.000 0.498 466 N N 6.720 125.249 118.700 -0.284 0.000 2.645 466 N HA 0.088 4.847 4.740 0.032 0.000 0.233 466 N C 0.209 175.670 175.510 -0.083 0.000 1.058 466 N CA -0.218 52.667 53.050 -0.274 0.000 0.942 466 N CB 0.217 38.388 38.487 -0.526 0.000 1.210 466 N HN 0.459 nan 8.380 nan 0.000 0.512 467 N N 2.995 121.712 118.700 0.027 0.000 2.389 467 N HA 0.017 4.776 4.740 0.032 0.000 0.260 467 N C -0.419 175.239 175.510 0.247 0.000 1.191 467 N CA -0.616 52.506 53.050 0.121 0.000 0.885 467 N CB -0.547 38.006 38.487 0.110 0.000 1.162 467 N HN 0.318 nan 8.380 nan 0.000 0.512 468 Y N 1.540 121.878 120.300 0.064 0.000 3.389 468 Y HA -0.168 4.401 4.550 0.032 0.000 0.213 468 Y C 1.180 177.133 175.900 0.088 0.000 1.272 468 Y CA 0.860 59.014 58.100 0.090 0.000 1.444 468 Y CB -1.645 36.877 38.460 0.104 0.000 1.445 468 Y HN 0.663 nan 8.280 nan 0.000 0.583 469 G N 0.017 108.859 108.800 0.070 0.000 2.143 469 G HA2 -0.375 3.604 3.960 0.032 0.000 0.248 469 G HA3 -0.375 3.604 3.960 0.032 0.000 0.248 469 G C -0.051 174.842 174.900 -0.012 0.000 0.991 469 G CA -0.026 45.053 45.100 -0.035 0.000 0.689 469 G HN 1.035 nan 8.290 nan 0.000 0.522 470 Y N 2.743 123.022 120.300 -0.034 0.000 2.537 470 Y HA 0.450 5.019 4.550 0.032 0.000 0.339 470 Y C 1.099 176.987 175.900 -0.020 0.000 1.066 470 Y CA 0.832 58.919 58.100 -0.022 0.000 1.357 470 Y CB 0.490 38.955 38.460 0.008 0.000 1.175 470 Y HN 0.457 nan 8.280 nan 0.000 0.525 471 T N 2.317 116.560 114.554 -0.517 0.000 2.888 471 T HA 0.239 4.608 4.350 0.032 0.000 0.288 471 T C 0.588 174.993 174.700 -0.493 0.000 1.063 471 T CA -0.787 61.107 62.100 -0.343 0.000 1.010 471 T CB 1.157 69.915 68.868 -0.183 0.000 1.214 471 T HN 0.518 nan 8.240 nan 0.000 0.533 472 I N 0.888 121.319 120.570 -0.231 0.000 2.423 472 I HA -0.023 4.166 4.170 0.032 0.000 0.254 472 I C 2.040 178.063 176.117 -0.157 0.000 1.151 472 I CA 1.492 62.693 61.300 -0.166 0.000 1.421 472 I CB -0.950 37.020 38.000 -0.049 0.000 1.079 472 I HN 0.765 nan 8.210 nan 0.000 0.431 473 E N -0.261 119.858 120.200 -0.135 0.000 2.153 473 E HA -0.155 4.214 4.350 0.032 0.000 0.194 473 E C 2.293 178.852 176.600 -0.068 0.000 0.988 473 E CA 1.301 57.671 56.400 -0.051 0.000 0.811 473 E CB -0.393 29.301 29.700 -0.011 0.000 0.746 473 E HN 0.382 nan 8.360 nan 0.000 0.466 474 V N 0.677 120.454 119.914 -0.228 0.000 2.490 474 V HA -0.250 3.889 4.120 0.032 0.000 0.250 474 V C 2.182 178.210 176.094 -0.110 0.000 1.061 474 V CA 1.925 64.093 62.300 -0.220 0.000 1.064 474 V CB -0.395 31.168 31.823 -0.434 0.000 0.670 474 V HN 0.361 nan 8.190 nan 0.000 0.461 475 M N -0.005 119.524 119.600 -0.119 0.000 2.325 475 M HA 0.012 4.511 4.480 0.032 0.000 0.265 475 M C 2.013 178.305 176.300 -0.014 0.000 1.094 475 M CA 1.816 57.109 55.300 -0.011 0.000 1.161 475 M CB 0.106 32.724 32.600 0.030 0.000 1.358 475 M HN 0.423 nan 8.290 nan 0.000 0.446 476 I N -3.500 117.060 120.570 -0.016 0.000 3.265 476 I HA 0.104 4.293 4.170 0.032 0.000 0.282 476 I C 0.283 176.417 176.117 0.028 0.000 1.207 476 I CA 0.590 61.887 61.300 -0.004 0.000 1.449 476 I CB -0.140 37.853 38.000 -0.010 0.000 1.121 476 I HN 0.263 nan 8.210 nan 0.000 0.442 477 H N 1.503 120.563 119.070 -0.017 0.000 2.490 477 H HA 0.326 4.901 4.556 0.032 0.000 0.230 477 H C -1.211 174.148 175.328 0.052 0.000 1.417 477 H CA -0.632 55.433 56.048 0.028 0.000 1.449 477 H CB 0.276 30.065 29.762 0.045 0.000 1.649 477 H HN 0.131 nan 8.280 nan 0.000 0.519 478 D N 1.154 121.593 120.400 0.066 0.000 2.382 478 D HA 0.472 5.131 4.640 0.032 0.000 0.245 478 D C 0.355 176.590 176.300 -0.108 0.000 1.120 478 D CA 0.844 54.834 54.000 -0.017 0.000 0.890 478 D CB 1.241 42.010 40.800 -0.052 0.000 1.201 478 D HN 0.713 nan 8.370 nan 0.000 0.433 479 G N 2.099 110.663 108.800 -0.393 0.000 2.547 479 G HA2 0.307 4.286 3.960 0.032 0.000 0.291 479 G HA3 0.307 4.286 3.960 0.032 0.000 0.291 479 G C -2.373 172.034 174.900 -0.822 0.000 1.471 479 G CA -0.903 43.704 45.100 -0.822 0.000 0.798 479 G HN 0.227 nan 8.290 nan 0.000 0.504 480 P HA -0.074 nan 4.420 nan 0.000 0.219 480 P C 1.252 178.402 177.300 -0.250 0.000 1.146 480 P CA 1.211 64.128 63.100 -0.305 0.000 0.808 480 P CB -0.122 31.485 31.700 -0.155 0.000 0.779 481 Y N -1.921 118.367 120.300 -0.019 0.000 2.571 481 Y HA 0.081 4.651 4.550 0.033 0.000 0.294 481 Y C 1.529 177.399 175.900 -0.051 0.000 1.141 481 Y CA 0.140 58.222 58.100 -0.030 0.000 1.308 481 Y CB -2.020 36.422 38.460 -0.031 0.000 1.002 481 Y HN -0.076 nan 8.280 nan 0.000 0.551 482 N N 0.309 118.994 118.700 -0.025 0.000 2.422 482 N HA -0.045 4.714 4.740 0.032 0.000 0.181 482 N C -0.505 174.947 175.510 -0.097 0.000 1.080 482 N CA 0.288 53.327 53.050 -0.019 0.000 0.893 482 N CB -0.201 38.242 38.487 -0.073 0.000 0.973 482 N HN 0.371 nan 8.380 nan 0.000 0.456 483 N N 1.237 119.863 118.700 -0.124 0.000 2.524 483 N HA 0.284 5.043 4.740 0.032 0.000 0.283 483 N C 0.315 175.744 175.510 -0.135 0.000 1.142 483 N CA -0.233 52.705 53.050 -0.187 0.000 0.984 483 N CB 1.643 40.024 38.487 -0.177 0.000 1.155 483 N HN 0.183 nan 8.380 nan 0.000 0.467 484 I N -2.777 117.676 120.570 -0.195 0.000 3.108 484 I HA 0.591 4.780 4.170 0.032 0.000 0.312 484 I C -0.258 175.878 176.117 0.031 0.000 1.095 484 I CA -1.257 60.005 61.300 -0.063 0.000 1.000 484 I CB 1.929 39.896 38.000 -0.056 0.000 1.229 484 I HN 0.061 nan 8.210 nan 0.000 0.454 485 K N 3.047 123.527 120.400 0.132 0.000 2.312 485 K HA 0.211 4.550 4.320 0.032 0.000 0.287 485 K C -0.487 176.287 176.600 0.290 0.000 1.062 485 K CA 0.097 56.535 56.287 0.252 0.000 0.934 485 K CB 0.337 33.011 32.500 0.290 0.000 1.027 485 K HN 0.689 nan 8.250 nan 0.000 0.478 486 N N 3.747 122.685 118.700 0.398 0.000 2.513 486 N HA 0.155 4.914 4.740 0.032 0.000 0.268 486 N C -1.107 174.575 175.510 0.286 0.000 1.180 486 N CA -0.091 53.151 53.050 0.320 0.000 0.948 486 N CB 0.363 39.000 38.487 0.250 0.000 1.083 486 N HN 0.340 nan 8.380 nan 0.000 0.455 487 W N 0.646 121.753 121.300 -0.321 0.000 2.671 487 W HA 0.262 4.941 4.660 0.031 0.000 0.360 487 W C -0.114 176.060 176.519 -0.574 0.000 1.128 487 W CA -0.868 56.153 57.345 -0.541 0.000 1.184 487 W CB 0.031 29.006 29.460 -0.808 0.000 1.415 487 W HN 0.441 nan 8.180 nan 0.000 0.604 488 D N 0.508 120.850 120.400 -0.098 0.000 2.517 488 D HA 0.083 4.742 4.640 0.032 0.000 0.220 488 D C 0.584 176.868 176.300 -0.027 0.000 1.158 488 D CA -0.129 53.853 54.000 -0.030 0.000 0.992 488 D CB -0.198 40.604 40.800 0.003 0.000 1.058 488 D HN 0.168 nan 8.370 nan 0.000 0.516 489 Y N 2.165 122.553 120.300 0.147 0.000 2.224 489 Y HA -0.122 4.447 4.550 0.031 0.000 0.289 489 Y C 2.495 178.406 175.900 0.019 0.000 1.146 489 Y CA 1.187 59.339 58.100 0.086 0.000 1.182 489 Y CB -0.490 37.898 38.460 -0.120 0.000 0.983 489 Y HN 0.491 nan 8.280 nan 0.000 0.524 490 A N 0.325 123.241 122.820 0.160 0.000 1.902 490 A HA -0.132 4.207 4.320 0.032 0.000 0.217 490 A C 2.574 180.191 177.584 0.054 0.000 1.181 490 A CA 1.772 53.865 52.037 0.095 0.000 0.623 490 A CB -1.506 17.561 19.000 0.111 0.000 0.818 490 A HN 0.470 nan 8.150 nan 0.000 0.443 491 G N -0.635 108.186 108.800 0.035 0.000 2.498 491 G HA2 -0.079 3.900 3.960 0.032 0.000 0.219 491 G HA3 -0.079 3.900 3.960 0.032 0.000 0.219 491 G C 1.356 176.211 174.900 -0.075 0.000 1.119 491 G CA 1.023 46.113 45.100 -0.016 0.000 0.766 491 G HN 0.458 nan 8.290 nan 0.000 0.552 492 L N 0.154 121.328 121.223 -0.080 0.000 2.201 492 L HA 0.085 4.444 4.340 0.032 0.000 0.212 492 L C 2.580 179.252 176.870 -0.331 0.000 1.105 492 L CA 1.205 55.894 54.840 -0.252 0.000 0.775 492 L CB -0.262 41.739 42.059 -0.098 0.000 0.913 492 L HN 0.073 nan 8.230 nan 0.000 0.440 493 M N -0.808 118.749 119.600 -0.071 0.000 2.080 493 M HA -0.168 4.331 4.480 0.032 0.000 0.260 493 M C 2.136 178.449 176.300 0.022 0.000 1.068 493 M CA 1.500 56.824 55.300 0.039 0.000 1.109 493 M CB -1.140 31.506 32.600 0.076 0.000 1.342 493 M HN 0.239 nan 8.290 nan 0.000 0.405 494 E N -0.169 120.021 120.200 -0.017 0.000 2.150 494 E HA -0.090 4.279 4.350 0.032 0.000 0.193 494 E C 2.314 178.902 176.600 -0.020 0.000 0.985 494 E CA 0.849 57.247 56.400 -0.003 0.000 0.814 494 E CB -0.483 29.210 29.700 -0.011 0.000 0.752 494 E HN 0.302 nan 8.360 nan 0.000 0.466 495 V N 0.997 120.845 119.914 -0.110 0.000 2.287 495 V HA -0.246 3.893 4.120 0.032 0.000 0.248 495 V C 2.103 178.210 176.094 0.021 0.000 1.053 495 V CA 1.650 63.874 62.300 -0.126 0.000 1.027 495 V CB -0.569 31.072 31.823 -0.303 0.000 0.646 495 V HN 0.126 nan 8.190 nan 0.000 0.447 496 F N 0.640 120.615 119.950 0.041 0.000 2.325 496 F HA -0.038 4.508 4.527 0.032 0.000 0.299 496 F C 2.283 178.108 175.800 0.041 0.000 1.090 496 F CA 0.622 58.647 58.000 0.043 0.000 1.392 496 F CB -1.216 37.818 39.000 0.057 0.000 1.053 496 F HN 0.224 nan 8.300 nan 0.000 0.521 497 N N 0.332 119.156 118.700 0.208 0.000 2.120 497 N HA -0.089 4.670 4.740 0.032 0.000 0.188 497 N C 1.843 177.417 175.510 0.106 0.000 1.024 497 N CA 1.449 54.579 53.050 0.133 0.000 0.852 497 N CB -0.778 37.764 38.487 0.090 0.000 1.003 497 N HN 0.285 nan 8.380 nan 0.000 0.424 498 G N 1.105 109.960 108.800 0.092 0.000 2.305 498 G HA2 -0.293 3.686 3.960 0.032 0.000 0.287 498 G HA3 -0.293 3.686 3.960 0.032 0.000 0.287 498 G C -0.272 174.654 174.900 0.044 0.000 1.036 498 G CA -0.024 45.118 45.100 0.070 0.000 0.887 498 G HN 0.282 nan 8.290 nan 0.000 0.505 499 N N 0.478 119.198 118.700 0.034 0.000 2.458 499 N HA 0.402 5.161 4.740 0.032 0.000 0.258 499 N C 1.357 176.867 175.510 -0.000 0.000 1.219 499 N CA 1.487 54.549 53.050 0.021 0.000 0.902 499 N CB 0.871 39.371 38.487 0.021 0.000 1.076 499 N HN 1.411 nan 8.380 nan 0.000 0.455 500 G N 0.186 108.980 108.800 -0.009 0.000 2.137 500 G HA2 -0.160 3.819 3.960 0.032 0.000 0.237 500 G HA3 -0.160 3.819 3.960 0.032 0.000 0.237 500 G C 0.459 175.318 174.900 -0.069 0.000 1.002 500 G CA 0.246 45.327 45.100 -0.033 0.000 0.702 500 G HN 0.892 nan 8.290 nan 0.000 0.515 501 G N -1.761 107.002 108.800 -0.062 0.000 3.217 501 G HA2 0.591 4.570 3.960 0.032 0.000 0.213 501 G HA3 0.591 4.570 3.960 0.032 0.000 0.213 501 G C 0.626 175.455 174.900 -0.118 0.000 1.294 501 G CA 0.004 45.022 45.100 -0.136 0.000 0.987 501 G HN 0.077 nan 8.290 nan 0.000 0.584 502 Y N 0.750 121.060 120.300 0.015 0.000 2.165 502 Y HA -0.012 4.557 4.550 0.032 0.000 0.286 502 Y C 1.718 177.628 175.900 0.016 0.000 1.155 502 Y CA 1.759 59.867 58.100 0.013 0.000 1.164 502 Y CB -0.107 38.360 38.460 0.011 0.000 0.978 502 Y HN 0.616 nan 8.280 nan 0.000 0.513 503 D N -1.888 118.615 120.400 0.172 0.000 2.831 503 D HA 0.533 5.192 4.640 0.032 0.000 0.240 503 D C -0.367 175.978 176.300 0.076 0.000 1.183 503 D CA -0.285 53.779 54.000 0.107 0.000 1.079 503 D CB 0.645 41.504 40.800 0.099 0.000 1.262 503 D HN 0.007 nan 8.370 nan 0.000 0.634 504 S N -2.617 113.125 115.700 0.070 0.000 2.688 504 S HA 0.841 5.330 4.470 0.032 0.000 0.275 504 S C -0.505 174.136 174.600 0.068 0.000 1.175 504 S CA -0.489 57.747 58.200 0.060 0.000 0.818 504 S CB 1.473 64.701 63.200 0.048 0.000 1.157 504 S HN 1.215 nan 8.310 nan 0.000 0.482 505 G N -1.138 107.702 108.800 0.066 0.000 2.703 505 G HA2 0.707 4.686 3.960 0.032 0.000 0.294 505 G HA3 0.707 4.686 3.960 0.032 0.000 0.294 505 G C -0.570 174.370 174.900 0.067 0.000 1.451 505 G CA -0.225 44.919 45.100 0.075 0.000 0.869 505 G HN 1.513 nan 8.290 nan 0.000 0.516 506 A N 0.266 123.127 122.820 0.068 0.000 2.676 506 A HA 0.715 5.054 4.320 0.032 0.000 0.297 506 A C 0.990 178.613 177.584 0.065 0.000 1.132 506 A CA 0.468 52.541 52.037 0.059 0.000 0.972 506 A CB -0.141 18.889 19.000 0.051 0.000 1.197 506 A HN 1.487 nan 8.150 nan 0.000 0.524 507 G N 0.042 108.891 108.800 0.082 0.000 2.539 507 G HA2 0.494 4.473 3.960 0.032 0.000 0.258 507 G HA3 0.494 4.473 3.960 0.032 0.000 0.258 507 G C -0.329 174.613 174.900 0.069 0.000 1.202 507 G CA -0.341 44.812 45.100 0.088 0.000 0.851 507 G HN 0.339 nan 8.290 nan 0.000 0.556 508 K N -0.155 120.279 120.400 0.057 0.000 2.427 508 K HA 0.545 4.884 4.320 0.032 0.000 0.252 508 K C -0.355 176.266 176.600 0.035 0.000 0.931 508 K CA -0.696 55.615 56.287 0.040 0.000 0.793 508 K CB 2.531 35.047 32.500 0.026 0.000 1.211 508 K HN 0.596 nan 8.250 nan 0.000 0.426 509 G N 3.187 112.008 108.800 0.034 0.000 2.487 509 G HA2 0.625 4.604 3.960 0.032 0.000 0.314 509 G HA3 0.625 4.604 3.960 0.032 0.000 0.314 509 G C -0.861 174.059 174.900 0.033 0.000 1.267 509 G CA -0.501 44.618 45.100 0.032 0.000 0.937 509 G HN 0.359 nan 8.290 nan 0.000 0.481 510 L N 1.240 122.480 121.223 0.028 0.000 2.354 510 L HA 0.622 4.981 4.340 0.032 0.000 0.264 510 L C -0.085 176.837 176.870 0.085 0.000 1.008 510 L CA -1.071 53.796 54.840 0.045 0.000 0.819 510 L CB 2.671 44.744 42.059 0.024 0.000 1.339 510 L HN 0.330 nan 8.230 nan 0.000 0.420 511 K N 1.180 121.654 120.400 0.123 0.000 2.203 511 K HA 0.852 5.191 4.320 0.032 0.000 0.251 511 K C -1.027 175.685 176.600 0.187 0.000 0.944 511 K CA -0.662 55.764 56.287 0.231 0.000 0.829 511 K CB 2.363 35.016 32.500 0.255 0.000 1.125 511 K HN 0.665 nan 8.250 nan 0.000 0.430 512 A N 2.366 125.348 122.820 0.270 0.000 2.414 512 A HA 0.323 4.662 4.320 0.032 0.000 0.286 512 A C -0.339 177.395 177.584 0.249 0.000 1.073 512 A CA -0.718 51.436 52.037 0.194 0.000 0.727 512 A CB 0.732 19.828 19.000 0.159 0.000 1.215 512 A HN 0.821 nan 8.150 nan 0.000 0.430 513 K N 0.807 121.283 120.400 0.128 0.000 2.402 513 K HA 0.170 4.509 4.320 0.032 0.000 0.204 513 K C 0.297 176.934 176.600 0.063 0.000 1.056 513 K CA 0.844 57.186 56.287 0.091 0.000 1.069 513 K CB 1.017 33.480 32.500 -0.061 0.000 0.888 513 K HN 0.834 nan 8.250 nan 0.000 0.546 514 T N -4.307 110.283 114.554 0.060 0.000 2.864 514 T HA 0.362 4.731 4.350 0.032 0.000 0.299 514 T C 1.136 175.867 174.700 0.052 0.000 1.166 514 T CA -0.510 61.616 62.100 0.044 0.000 1.007 514 T CB 1.740 70.623 68.868 0.025 0.000 1.219 514 T HN -0.014 nan 8.240 nan 0.000 0.506 515 G N 0.131 108.955 108.800 0.041 0.000 2.422 515 G HA2 0.065 4.044 3.960 0.032 0.000 0.218 515 G HA3 0.065 4.044 3.960 0.032 0.000 0.218 515 G C 1.445 176.371 174.900 0.043 0.000 1.146 515 G CA 0.845 45.969 45.100 0.042 0.000 0.769 515 G HN 1.137 nan 8.290 nan 0.000 0.547 516 G N 0.500 109.322 108.800 0.035 0.000 2.402 516 G HA2 -0.102 3.877 3.960 0.032 0.000 0.216 516 G HA3 -0.102 3.877 3.960 0.032 0.000 0.216 516 G C 1.608 176.533 174.900 0.040 0.000 1.162 516 G CA 0.998 46.118 45.100 0.033 0.000 0.777 516 G HN 0.521 nan 8.290 nan 0.000 0.539 517 E N -0.373 119.854 120.200 0.044 0.000 2.106 517 E HA -0.073 4.296 4.350 0.032 0.000 0.192 517 E C 2.356 178.998 176.600 0.070 0.000 0.984 517 E CA 0.559 56.990 56.400 0.051 0.000 0.806 517 E CB -0.132 29.598 29.700 0.050 0.000 0.750 517 E HN 0.335 nan 8.360 nan 0.000 0.458 518 L N 0.977 122.250 121.223 0.084 0.000 2.046 518 L HA -0.102 4.257 4.340 0.032 0.000 0.208 518 L C 2.192 179.126 176.870 0.107 0.000 1.077 518 L CA 1.923 56.831 54.840 0.113 0.000 0.747 518 L CB -0.620 41.513 42.059 0.122 0.000 0.896 518 L HN 0.028 nan 8.230 nan 0.000 0.432 519 A N -0.790 122.078 122.820 0.080 0.000 1.908 519 A HA -0.181 4.158 4.320 0.032 0.000 0.218 519 A C 2.130 179.752 177.584 0.063 0.000 1.181 519 A CA 1.716 53.795 52.037 0.070 0.000 0.627 519 A CB -0.558 18.473 19.000 0.051 0.000 0.818 519 A HN 0.526 nan 8.150 nan 0.000 0.445 520 E N 0.020 120.252 120.200 0.054 0.000 2.047 520 E HA -0.114 4.255 4.350 0.032 0.000 0.191 520 E C 2.371 178.998 176.600 0.045 0.000 0.987 520 E CA 1.277 57.703 56.400 0.044 0.000 0.799 520 E CB -0.803 28.919 29.700 0.036 0.000 0.752 520 E HN 0.567 nan 8.360 nan 0.000 0.449 521 A N 1.361 124.213 122.820 0.053 0.000 1.908 521 A HA -0.163 4.176 4.320 0.032 0.000 0.218 521 A C 2.378 179.983 177.584 0.035 0.000 1.181 521 A CA 1.270 53.331 52.037 0.040 0.000 0.627 521 A CB -0.748 18.279 19.000 0.046 0.000 0.818 521 A HN 0.191 nan 8.150 nan 0.000 0.445 522 I N -0.584 120.031 120.570 0.074 0.000 2.264 522 I HA -0.294 3.895 4.170 0.032 0.000 0.248 522 I C 2.501 178.656 176.117 0.063 0.000 1.111 522 I CA 1.606 62.962 61.300 0.094 0.000 1.382 522 I CB -0.256 37.844 38.000 0.168 0.000 1.060 522 I HN 0.329 nan 8.210 nan 0.000 0.418 523 K N 0.248 120.681 120.400 0.054 0.000 2.057 523 K HA -0.120 4.219 4.320 0.032 0.000 0.206 523 K C 2.080 178.699 176.600 0.031 0.000 1.050 523 K CA 1.206 57.518 56.287 0.042 0.000 0.935 523 K CB -0.200 32.323 32.500 0.037 0.000 0.715 523 K HN 0.153 nan 8.250 nan 0.000 0.439 524 V N 1.492 121.422 119.914 0.026 0.000 2.392 524 V HA -0.275 3.864 4.120 0.032 0.000 0.249 524 V C 2.355 178.457 176.094 0.012 0.000 1.059 524 V CA 2.077 64.388 62.300 0.019 0.000 1.051 524 V CB -0.679 31.154 31.823 0.016 0.000 0.658 524 V HN 0.359 nan 8.190 nan 0.000 0.455 525 A N -0.359 122.463 122.820 0.003 0.000 1.898 525 A HA -0.106 4.233 4.320 0.032 0.000 0.216 525 A C 2.192 179.781 177.584 0.008 0.000 1.181 525 A CA 1.552 53.581 52.037 -0.014 0.000 0.620 525 A CB -0.484 18.478 19.000 -0.063 0.000 0.819 525 A HN 0.499 nan 8.150 nan 0.000 0.442 526 L N -0.874 120.364 121.223 0.024 0.000 2.131 526 L HA -0.163 4.196 4.340 0.032 0.000 0.210 526 L C 2.892 179.779 176.870 0.028 0.000 1.092 526 L CA 0.971 55.831 54.840 0.033 0.000 0.759 526 L CB -0.369 41.716 42.059 0.043 0.000 0.903 526 L HN 0.444 nan 8.230 nan 0.000 0.435 527 A N -0.864 121.971 122.820 0.025 0.000 2.123 527 A HA -0.078 4.261 4.320 0.032 0.000 0.214 527 A C 1.095 178.693 177.584 0.023 0.000 1.152 527 A CA 0.273 52.324 52.037 0.024 0.000 0.728 527 A CB -0.427 18.587 19.000 0.022 0.000 0.814 527 A HN 0.344 nan 8.150 nan 0.000 0.464 528 N N 1.220 119.934 118.700 0.022 0.000 2.402 528 N HA 0.092 4.851 4.740 0.032 0.000 0.259 528 N C 0.887 176.414 175.510 0.029 0.000 1.167 528 N CA 0.885 53.950 53.050 0.025 0.000 0.949 528 N CB 0.625 39.125 38.487 0.022 0.000 1.212 528 N HN 0.299 nan 8.380 nan 0.000 0.493 529 T N -1.351 113.221 114.554 0.030 0.000 3.069 529 T HA 0.173 4.542 4.350 0.032 0.000 0.252 529 T C 0.358 175.080 174.700 0.037 0.000 1.053 529 T CA 0.045 62.165 62.100 0.033 0.000 0.964 529 T CB 0.240 69.125 68.868 0.029 0.000 1.005 529 T HN 0.192 nan 8.240 nan 0.000 0.532 530 D N 1.077 121.501 120.400 0.039 0.000 2.369 530 D HA 0.376 5.035 4.640 0.032 0.000 0.211 530 D C 0.954 177.286 176.300 0.054 0.000 1.077 530 D CA 0.333 54.360 54.000 0.044 0.000 0.842 530 D CB 1.046 41.870 40.800 0.040 0.000 0.947 530 D HN 0.642 nan 8.370 nan 0.000 0.509 531 G N 0.785 109.619 108.800 0.057 0.000 2.451 531 G HA2 0.333 4.312 3.960 0.032 0.000 0.292 531 G HA3 0.333 4.312 3.960 0.032 0.000 0.292 531 G C -3.126 171.815 174.900 0.068 0.000 1.427 531 G CA -0.929 44.213 45.100 0.070 0.000 0.792 531 G HN -0.300 nan 8.290 nan 0.000 0.498 532 P HA 0.365 nan 4.420 nan 0.000 0.274 532 P C -0.586 176.746 177.300 0.053 0.000 1.237 532 P CA 0.169 63.314 63.100 0.076 0.000 0.793 532 P CB 1.258 33.023 31.700 0.110 0.000 0.977 533 T N 2.351 116.913 114.554 0.013 0.000 2.847 533 T HA 0.396 4.765 4.350 0.032 0.000 0.291 533 T C -0.277 174.380 174.700 -0.072 0.000 0.998 533 T CA -0.413 61.674 62.100 -0.021 0.000 0.967 533 T CB 0.578 69.417 68.868 -0.049 0.000 0.954 533 T HN 0.287 nan 8.240 nan 0.000 0.441 534 L N 5.124 126.320 121.223 -0.044 0.000 2.264 534 L HA 0.623 4.982 4.340 0.032 0.000 0.289 534 L C -0.930 175.869 176.870 -0.119 0.000 1.044 534 L CA -0.769 54.017 54.840 -0.091 0.000 0.807 534 L CB 0.376 42.414 42.059 -0.034 0.000 1.192 534 L HN 0.643 nan 8.230 nan 0.000 0.425 535 I N 5.086 125.534 120.570 -0.204 0.000 2.330 535 I HA 0.226 4.415 4.170 0.032 0.000 0.286 535 I C 0.050 176.109 176.117 -0.098 0.000 1.025 535 I CA -0.328 60.888 61.300 -0.140 0.000 1.197 535 I CB 1.371 39.243 38.000 -0.212 0.000 1.358 535 I HN 0.617 nan 8.210 nan 0.000 0.467 536 E N 6.280 126.450 120.200 -0.051 0.000 2.070 536 E HA 0.197 4.566 4.350 0.032 0.000 0.282 536 E C -1.092 175.450 176.600 -0.097 0.000 1.104 536 E CA -0.536 55.786 56.400 -0.131 0.000 0.876 536 E CB 0.562 30.216 29.700 -0.077 0.000 1.055 536 E HN 0.619 nan 8.360 nan 0.000 0.401 537 C N 6.144 125.363 119.300 -0.134 0.000 2.265 537 C HA 0.332 4.811 4.460 0.032 0.000 0.332 537 C C -0.339 174.583 174.990 -0.112 0.000 1.248 537 C CA -0.815 58.201 59.018 -0.004 0.000 1.727 537 C CB -1.134 26.643 27.740 0.062 0.000 2.348 537 C HN 0.591 nan 8.230 nan 0.000 0.519 538 F N 5.048 125.020 119.950 0.035 0.000 2.404 538 F HA 0.569 5.115 4.527 0.032 0.000 0.358 538 F C 0.689 176.503 175.800 0.023 0.000 1.120 538 F CA -0.456 57.563 58.000 0.032 0.000 1.144 538 F CB 0.336 39.354 39.000 0.029 0.000 1.133 538 F HN 0.488 nan 8.300 nan 0.000 0.495 539 I N -0.181 120.471 120.570 0.136 0.000 2.934 539 I HA 0.912 5.101 4.170 0.032 0.000 0.306 539 I C 0.333 176.485 176.117 0.058 0.000 1.110 539 I CA -1.181 60.169 61.300 0.083 0.000 1.019 539 I CB 1.727 39.751 38.000 0.040 0.000 1.227 539 I HN 0.545 nan 8.210 nan 0.000 0.434 540 G N 2.918 111.728 108.800 0.016 0.000 2.684 540 G HA2 0.325 4.304 3.960 0.032 0.000 0.255 540 G HA3 0.325 4.304 3.960 0.032 0.000 0.255 540 G C -0.155 174.674 174.900 -0.117 0.000 1.219 540 G CA -0.791 44.294 45.100 -0.026 0.000 0.901 540 G HN 0.761 nan 8.290 nan 0.000 0.548 541 R N -0.475 119.908 120.500 -0.195 0.000 2.543 541 R HA 0.317 4.676 4.340 0.032 0.000 0.268 541 R C 0.121 175.945 176.300 -0.793 0.000 1.067 541 R CA -0.269 55.508 56.100 -0.537 0.000 1.142 541 R CB 0.651 30.779 30.300 -0.287 0.000 1.110 541 R HN 0.757 nan 8.270 nan 0.000 0.549 542 E N -0.442 118.725 120.200 -1.723 0.000 2.971 542 E HA -0.216 4.153 4.350 0.032 0.000 0.278 542 E C -0.890 175.511 176.600 -0.331 0.000 1.009 542 E CA 0.950 56.872 56.400 -0.796 0.000 0.862 542 E CB -0.759 28.746 29.700 -0.326 0.000 1.436 542 E HN 0.518 nan 8.360 nan 0.000 0.434 543 D N 0.785 121.000 120.400 -0.309 0.000 2.458 543 D HA 0.342 5.001 4.640 0.032 0.000 0.258 543 D C -0.476 175.811 176.300 -0.021 0.000 1.134 543 D CA -0.340 53.593 54.000 -0.112 0.000 0.915 543 D CB 0.148 40.893 40.800 -0.091 0.000 1.028 543 D HN 0.281 nan 8.370 nan 0.000 0.508 544 C N 0.684 119.995 119.300 0.018 0.000 3.318 544 C HA 0.887 5.366 4.460 0.032 0.000 0.329 544 C C 0.644 175.636 174.990 0.004 0.000 1.449 544 C CA -0.676 58.369 59.018 0.046 0.000 1.397 544 C CB 0.750 28.551 27.740 0.102 0.000 1.810 544 C HN 0.515 nan 8.230 nan 0.000 0.449 545 T N -1.208 113.339 114.554 -0.012 0.000 2.856 545 T HA 0.247 4.616 4.350 0.032 0.000 0.306 545 T C 0.642 175.281 174.700 -0.100 0.000 1.062 545 T CA 0.344 62.419 62.100 -0.041 0.000 1.083 545 T CB 0.385 69.244 68.868 -0.015 0.000 0.984 545 T HN 0.817 nan 8.240 nan 0.000 0.542 546 E N 0.867 121.017 120.200 -0.082 0.000 2.150 546 E HA -0.123 4.246 4.350 0.032 0.000 0.193 546 E C 2.082 178.588 176.600 -0.157 0.000 0.985 546 E CA 1.133 57.478 56.400 -0.092 0.000 0.814 546 E CB -0.038 29.629 29.700 -0.056 0.000 0.752 546 E HN 0.778 nan 8.360 nan 0.000 0.466 547 E N 0.913 120.993 120.200 -0.199 0.000 2.051 547 E HA -0.197 4.172 4.350 0.032 0.000 0.192 547 E C 1.944 178.151 176.600 -0.655 0.000 0.991 547 E CA 0.640 56.860 56.400 -0.300 0.000 0.799 547 E CB -0.173 29.452 29.700 -0.125 0.000 0.748 547 E HN 0.093 nan 8.360 nan 0.000 0.449 548 L N 0.330 120.941 121.223 -1.019 0.000 2.043 548 L HA -0.186 4.173 4.340 0.032 0.000 0.212 548 L C 2.019 178.671 176.870 -0.363 0.000 1.075 548 L CA 1.544 55.728 54.840 -1.095 0.000 0.752 548 L CB -0.425 41.208 42.059 -0.709 0.000 0.891 548 L HN 0.030 nan 8.230 nan 0.000 0.432 549 V N -0.295 119.475 119.914 -0.239 0.000 2.307 549 V HA -0.276 3.863 4.120 0.032 0.000 0.245 549 V C 2.599 178.629 176.094 -0.106 0.000 1.045 549 V CA 2.126 64.353 62.300 -0.121 0.000 1.024 549 V CB -0.712 31.063 31.823 -0.080 0.000 0.651 549 V HN 0.451 nan 8.190 nan 0.000 0.449 550 K N -1.100 119.233 120.400 -0.113 0.000 2.009 550 K HA -0.263 4.076 4.320 0.032 0.000 0.210 550 K C 2.001 178.554 176.600 -0.080 0.000 1.049 550 K CA 2.245 58.480 56.287 -0.085 0.000 0.929 550 K CB -0.379 32.077 32.500 -0.074 0.000 0.714 550 K HN 0.620 nan 8.250 nan 0.000 0.440 551 W N 1.366 122.483 121.300 -0.306 0.000 2.358 551 W HA -0.113 4.565 4.660 0.030 0.000 0.303 551 W C 1.961 178.340 176.519 -0.232 0.000 1.208 551 W CA 1.882 59.038 57.345 -0.314 0.000 1.274 551 W CB -0.609 28.591 29.460 -0.432 0.000 1.138 551 W HN 0.097 nan 8.180 nan 0.000 0.515 552 G N 0.629 109.368 108.800 -0.100 0.000 2.422 552 G HA2 -0.293 3.686 3.960 0.032 0.000 0.218 552 G HA3 -0.293 3.686 3.960 0.032 0.000 0.218 552 G C 1.489 176.195 174.900 -0.323 0.000 1.146 552 G CA 1.196 46.128 45.100 -0.280 0.000 0.769 552 G HN 0.315 nan 8.290 nan 0.000 0.547 553 K N -0.195 120.077 120.400 -0.213 0.000 2.097 553 K HA 0.023 4.362 4.320 0.032 0.000 0.205 553 K C 2.757 179.241 176.600 -0.194 0.000 1.050 553 K CA 0.504 56.694 56.287 -0.162 0.000 0.938 553 K CB -0.070 32.367 32.500 -0.105 0.000 0.718 553 K HN 0.025 nan 8.250 nan 0.000 0.442 554 R N 0.629 120.976 120.500 -0.255 0.000 2.081 554 R HA -0.069 4.290 4.340 0.032 0.000 0.235 554 R C 2.299 178.419 176.300 -0.300 0.000 1.131 554 R CA 0.992 56.947 56.100 -0.241 0.000 0.960 554 R CB -0.856 29.296 30.300 -0.246 0.000 0.856 554 R HN 0.066 nan 8.270 nan 0.000 0.436 555 V N 1.261 120.858 119.914 -0.528 0.000 2.427 555 V HA -0.176 3.963 4.120 0.032 0.000 0.248 555 V C 2.537 178.475 176.094 -0.260 0.000 1.051 555 V CA 1.701 63.700 62.300 -0.503 0.000 1.048 555 V CB -0.823 30.430 31.823 -0.950 0.000 0.666 555 V HN 0.302 nan 8.190 nan 0.000 0.456 556 A N 0.144 122.822 122.820 -0.237 0.000 1.902 556 A HA -0.121 4.218 4.320 0.032 0.000 0.217 556 A C 2.447 180.000 177.584 -0.052 0.000 1.181 556 A CA 2.086 54.059 52.037 -0.106 0.000 0.623 556 A CB -0.799 18.157 19.000 -0.074 0.000 0.818 556 A HN 0.554 nan 8.150 nan 0.000 0.443 557 A N -0.073 122.708 122.820 -0.065 0.000 1.883 557 A HA 0.112 4.451 4.320 0.032 0.000 0.217 557 A C 2.534 180.124 177.584 0.010 0.000 1.186 557 A CA 2.334 54.357 52.037 -0.024 0.000 0.624 557 A CB -1.111 17.871 19.000 -0.031 0.000 0.822 557 A HN 1.101 nan 8.150 nan 0.000 0.444 558 A N 0.022 122.851 122.820 0.015 0.000 1.902 558 A HA -0.212 4.127 4.320 0.032 0.000 0.217 558 A C 1.912 179.564 177.584 0.113 0.000 1.181 558 A CA 1.703 53.801 52.037 0.102 0.000 0.623 558 A CB -0.875 18.206 19.000 0.135 0.000 0.818 558 A HN 0.733 nan 8.150 nan 0.000 0.443 559 N N 0.042 118.780 118.700 0.063 0.000 2.188 559 N HA -0.132 4.627 4.740 0.032 0.000 0.184 559 N C 1.742 177.279 175.510 0.046 0.000 1.018 559 N CA 1.347 54.434 53.050 0.062 0.000 0.858 559 N CB -0.102 38.401 38.487 0.027 0.000 0.989 559 N HN 0.613 nan 8.380 nan 0.000 0.426 560 S N 1.355 117.076 115.700 0.035 0.000 2.603 560 S HA -0.010 4.479 4.470 0.032 0.000 0.220 560 S C 0.604 175.225 174.600 0.034 0.000 0.967 560 S CA -0.493 57.728 58.200 0.035 0.000 0.920 560 S CB -0.197 63.027 63.200 0.041 0.000 0.773 560 S HN 0.241 nan 8.310 nan 0.000 0.529 561 R N 2.291 122.815 120.500 0.041 0.000 2.585 561 R HA 0.115 4.474 4.340 0.032 0.000 0.275 561 R C 0.074 176.389 176.300 0.025 0.000 1.018 561 R CA -0.360 55.760 56.100 0.035 0.000 1.072 561 R CB 0.047 30.375 30.300 0.046 0.000 0.953 561 R HN 0.460 nan 8.270 nan 0.000 0.419 562 K N 2.940 123.350 120.400 0.017 0.000 2.230 562 K HA 0.252 4.591 4.320 0.032 0.000 0.253 562 K C -2.111 174.493 176.600 0.007 0.000 1.008 562 K CA -1.356 54.938 56.287 0.011 0.000 0.910 562 K CB -0.128 32.376 32.500 0.008 0.000 0.994 562 K HN 0.382 nan 8.250 nan 0.000 0.495 563 P HA 0.024 nan 4.420 nan 0.000 0.268 563 P C -0.925 176.373 177.300 -0.004 0.000 1.205 563 P CA -0.455 62.645 63.100 -0.001 0.000 0.771 563 P CB 0.717 32.417 31.700 -0.001 0.000 0.858 564 V N 3.824 123.733 119.914 -0.009 0.000 2.716 564 V HA 0.503 4.642 4.120 0.032 0.000 0.304 564 V C 0.448 176.535 176.094 -0.012 0.000 1.053 564 V CA -0.356 61.937 62.300 -0.012 0.000 0.984 564 V CB 1.224 33.036 31.823 -0.019 0.000 1.021 564 V HN 0.813 nan 8.190 nan 0.000 0.467 565 N N 1.519 120.212 118.700 -0.011 0.000 2.961 565 N HA 0.288 5.047 4.740 0.032 0.000 0.245 565 N C -1.203 174.301 175.510 -0.011 0.000 1.404 565 N CA -1.021 52.022 53.050 -0.011 0.000 0.880 565 N CB 2.215 40.697 38.487 -0.009 0.000 1.461 565 N HN 0.522 nan 8.380 nan 0.000 0.510 566 K N 0.000 120.393 120.400 -0.011 0.000 2.780 566 K HA 0.000 4.339 4.320 0.032 0.000 0.191 566 K CA 0.000 56.281 56.287 -0.010 0.000 0.838 566 K CB 0.000 32.494 32.500 -0.011 0.000 1.064 566 K HN 0.000 nan 8.250 nan 0.000 0.543