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 2wva_1_E 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 0.000 174.486 174.600 -0.189 0.000 1.055 2 S CA 0.000 58.167 58.200 -0.056 0.000 1.107 2 S CB 0.000 63.210 63.200 0.017 0.000 0.593 3 Y N 1.163 121.491 120.300 0.048 0.000 2.457 3 Y HA 0.726 5.289 4.550 0.023 0.000 0.333 3 Y C 1.175 177.112 175.900 0.063 0.000 1.119 3 Y CA 0.040 58.182 58.100 0.069 0.000 1.143 3 Y CB 2.104 40.642 38.460 0.130 0.000 1.230 3 Y HN 0.997 nan 8.280 nan 0.000 0.469 4 T N -2.650 112.026 114.554 0.203 0.000 2.948 4 T HA 0.344 4.708 4.350 0.022 0.000 0.285 4 T C 0.905 175.702 174.700 0.161 0.000 1.019 4 T CA -0.753 61.427 62.100 0.133 0.000 1.013 4 T CB 1.097 70.008 68.868 0.072 0.000 1.117 4 T HN 0.368 nan 8.240 nan 0.000 0.533 5 V N 1.798 121.760 119.914 0.080 0.000 2.278 5 V HA -0.153 3.980 4.120 0.022 0.000 0.251 5 V C 2.856 179.002 176.094 0.088 0.000 1.062 5 V CA 2.698 65.025 62.300 0.044 0.000 1.038 5 V CB -1.508 30.312 31.823 -0.004 0.000 0.646 5 V HN 1.117 nan 8.190 nan 0.000 0.447 6 G N -0.344 108.500 108.800 0.075 0.000 2.402 6 G HA2 -0.250 3.723 3.960 0.022 0.000 0.216 6 G HA3 -0.250 3.723 3.960 0.022 0.000 0.216 6 G C 1.744 176.698 174.900 0.091 0.000 1.162 6 G CA 1.517 46.653 45.100 0.061 0.000 0.777 6 G HN 0.598 nan 8.290 nan 0.000 0.539 7 T N -2.690 111.949 114.554 0.141 0.000 2.985 7 T HA -0.062 4.301 4.350 0.022 0.000 0.266 7 T C 2.075 176.971 174.700 0.327 0.000 1.076 7 T CA 1.054 63.264 62.100 0.184 0.000 1.135 7 T CB -0.353 68.584 68.868 0.116 0.000 0.890 7 T HN 0.254 nan 8.240 nan 0.000 0.480 8 Y N 1.755 122.175 120.300 0.200 0.000 2.114 8 Y HA 0.017 4.581 4.550 0.023 0.000 0.284 8 Y C 2.184 178.069 175.900 -0.025 0.000 1.143 8 Y CA 1.316 59.435 58.100 0.031 0.000 1.135 8 Y CB -0.624 37.817 38.460 -0.032 0.000 0.980 8 Y HN 0.226 nan 8.280 nan 0.000 0.499 9 L N 0.686 122.048 121.223 0.232 0.000 2.012 9 L HA -0.141 4.213 4.340 0.022 0.000 0.210 9 L C 2.420 179.281 176.870 -0.015 0.000 1.073 9 L CA 2.269 57.164 54.840 0.092 0.000 0.748 9 L CB -1.362 40.719 42.059 0.037 0.000 0.891 9 L HN 0.260 nan 8.230 nan 0.000 0.431 10 A N -0.819 121.993 122.820 -0.013 0.000 1.940 10 A HA -0.261 4.073 4.320 0.022 0.000 0.219 10 A C 2.253 179.817 177.584 -0.034 0.000 1.176 10 A CA 1.821 53.829 52.037 -0.049 0.000 0.631 10 A CB -0.715 18.273 19.000 -0.021 0.000 0.814 10 A HN 0.594 nan 8.150 nan 0.000 0.446 11 E N -0.188 119.995 120.200 -0.028 0.000 2.046 11 E HA -0.151 4.213 4.350 0.022 0.000 0.190 11 E C 2.168 178.693 176.600 -0.124 0.000 0.982 11 E CA 1.087 57.452 56.400 -0.060 0.000 0.800 11 E CB -0.176 29.478 29.700 -0.076 0.000 0.756 11 E HN 0.337 nan 8.360 nan 0.000 0.449 12 R N 0.291 120.675 120.500 -0.194 0.000 2.103 12 R HA -0.109 4.244 4.340 0.022 0.000 0.242 12 R C 2.501 178.754 176.300 -0.078 0.000 1.142 12 R CA 1.268 57.273 56.100 -0.158 0.000 0.960 12 R CB -1.093 29.122 30.300 -0.142 0.000 0.858 12 R HN 0.347 nan 8.270 nan 0.000 0.439 13 L N 0.002 121.190 121.223 -0.060 0.000 2.046 13 L HA -0.143 4.211 4.340 0.022 0.000 0.208 13 L C 2.466 179.339 176.870 0.005 0.000 1.077 13 L CA 0.949 55.772 54.840 -0.028 0.000 0.747 13 L CB -0.545 41.485 42.059 -0.048 0.000 0.896 13 L HN -0.053 nan 8.230 nan 0.000 0.432 14 V N -0.428 119.482 119.914 -0.006 0.000 2.407 14 V HA -0.291 3.843 4.120 0.022 0.000 0.248 14 V C 2.424 178.536 176.094 0.029 0.000 1.055 14 V CA 1.613 63.920 62.300 0.011 0.000 1.049 14 V CB -0.486 31.336 31.823 -0.001 0.000 0.662 14 V HN 0.503 nan 8.190 nan 0.000 0.455 15 Q N -0.250 119.561 119.800 0.018 0.000 2.226 15 Q HA -0.104 4.249 4.340 0.022 0.000 0.204 15 Q C 2.032 178.131 176.000 0.164 0.000 0.975 15 Q CA 1.725 57.562 55.803 0.057 0.000 0.866 15 Q CB -0.168 28.579 28.738 0.015 0.000 0.915 15 Q HN 0.869 nan 8.270 nan 0.000 0.440 16 I N -4.697 115.956 120.570 0.138 0.000 3.793 16 I HA 0.347 4.531 4.170 0.022 0.000 0.315 16 I C 0.897 177.165 176.117 0.252 0.000 1.275 16 I CA 0.704 62.159 61.300 0.257 0.000 1.214 16 I CB 0.304 38.314 38.000 0.017 0.000 1.018 16 I HN 0.163 nan 8.210 nan 0.000 0.439 17 G N 1.462 110.355 108.800 0.155 0.000 2.184 17 G HA2 -0.166 3.807 3.960 0.022 0.000 0.206 17 G HA3 -0.166 3.807 3.960 0.022 0.000 0.206 17 G C -0.222 174.756 174.900 0.130 0.000 0.995 17 G CA -0.384 44.785 45.100 0.116 0.000 0.651 17 G HN 0.219 nan 8.290 nan 0.000 0.511 18 L N 0.930 122.241 121.223 0.147 0.000 2.455 18 L HA 0.427 4.781 4.340 0.022 0.000 0.272 18 L C 1.432 178.379 176.870 0.129 0.000 1.174 18 L CA 0.473 55.436 54.840 0.205 0.000 0.869 18 L CB 0.945 43.091 42.059 0.145 0.000 1.130 18 L HN 0.015 nan 8.230 nan 0.000 0.474 19 K N 2.127 122.645 120.400 0.195 0.000 2.355 19 K HA 0.251 4.585 4.320 0.022 0.000 0.198 19 K C -0.348 175.981 176.600 -0.451 0.000 1.039 19 K CA 0.067 56.313 56.287 -0.069 0.000 1.075 19 K CB 0.358 32.831 32.500 -0.044 0.000 0.870 19 K HN 0.610 nan 8.250 nan 0.000 0.540 20 H N -0.490 118.486 119.070 -0.156 0.000 3.016 20 H HA 0.367 4.937 4.556 0.022 0.000 0.362 20 H C -0.396 174.590 175.328 -0.571 0.000 1.233 20 H CA -0.958 54.789 56.048 -0.500 0.000 1.124 20 H CB 1.329 30.626 29.762 -0.775 0.000 1.850 20 H HN 0.049 nan 8.280 nan 0.000 0.549 21 H N 0.061 118.820 119.070 -0.520 0.000 2.895 21 H HA 0.474 5.044 4.556 0.022 0.000 0.373 21 H C -1.617 173.359 175.328 -0.586 0.000 1.174 21 H CA -0.921 54.866 56.048 -0.436 0.000 1.144 21 H CB 1.237 30.889 29.762 -0.183 0.000 1.793 21 H HN 0.358 nan 8.280 nan 0.000 0.551 22 F N 0.744 120.646 119.950 -0.081 0.000 2.450 22 F HA 0.708 5.249 4.527 0.022 0.000 0.332 22 F C 0.311 176.132 175.800 0.034 0.000 1.093 22 F CA -0.361 57.593 58.000 -0.077 0.000 1.003 22 F CB 2.124 41.105 39.000 -0.032 0.000 1.151 22 F HN 0.869 nan 8.300 nan 0.000 0.474 23 A N 1.446 124.386 122.820 0.199 0.000 2.572 23 A HA 0.855 5.188 4.320 0.022 0.000 0.295 23 A C -1.924 175.825 177.584 0.275 0.000 1.072 23 A CA -0.744 51.433 52.037 0.233 0.000 0.691 23 A CB 1.646 20.797 19.000 0.253 0.000 1.291 23 A HN 0.497 nan 8.150 nan 0.000 0.404 24 V N 1.289 121.329 119.914 0.210 0.000 2.525 24 V HA 0.647 4.781 4.120 0.022 0.000 0.299 24 V C 0.644 176.817 176.094 0.131 0.000 1.034 24 V CA -0.342 62.056 62.300 0.163 0.000 0.863 24 V CB 1.193 33.078 31.823 0.103 0.000 0.999 24 V HN 1.504 nan 8.190 nan 0.000 0.423 25 A N 3.439 126.318 122.820 0.098 0.000 2.445 25 A HA 0.783 5.116 4.320 0.022 0.000 0.242 25 A C 0.622 178.254 177.584 0.079 0.000 1.075 25 A CA 0.646 52.727 52.037 0.073 0.000 0.777 25 A CB 0.408 19.408 19.000 -0.000 0.000 1.013 25 A HN 1.466 nan 8.150 nan 0.000 0.493 26 G N 0.331 109.194 108.800 0.104 0.000 2.703 26 G HA2 0.456 4.429 3.960 0.022 0.000 0.294 26 G HA3 0.456 4.429 3.960 0.022 0.000 0.294 26 G C -0.034 174.944 174.900 0.129 0.000 1.451 26 G CA 0.224 45.410 45.100 0.144 0.000 0.869 26 G HN 0.690 nan 8.290 nan 0.000 0.516 27 D N -0.333 120.121 120.400 0.089 0.000 2.265 27 D HA -0.189 4.464 4.640 0.022 0.000 0.208 27 D C 1.138 177.422 176.300 -0.027 0.000 0.977 27 D CA 1.278 55.264 54.000 -0.024 0.000 0.871 27 D CB -0.145 40.576 40.800 -0.131 0.000 0.925 27 D HN 0.395 nan 8.370 nan 0.000 0.485 28 Y N 0.783 121.174 120.300 0.150 0.000 2.561 28 Y HA 0.030 4.597 4.550 0.028 0.000 0.291 28 Y C 1.441 177.384 175.900 0.072 0.000 1.141 28 Y CA 1.046 59.205 58.100 0.097 0.000 1.303 28 Y CB -0.268 38.257 38.460 0.108 0.000 1.015 28 Y HN 0.209 nan 8.280 nan 0.000 0.547 29 N N -1.494 117.328 118.700 0.204 0.000 2.143 29 N HA 0.036 4.790 4.740 0.022 0.000 0.222 29 N C 0.863 176.434 175.510 0.101 0.000 1.264 29 N CA 0.151 53.285 53.050 0.140 0.000 0.897 29 N CB -0.866 37.703 38.487 0.137 0.000 1.092 29 N HN 0.244 nan 8.380 nan 0.000 0.516 30 L N 0.001 121.273 121.223 0.082 0.000 2.012 30 L HA -0.093 4.261 4.340 0.022 0.000 0.210 30 L C 1.950 178.852 176.870 0.053 0.000 1.073 30 L CA 1.230 56.104 54.840 0.057 0.000 0.748 30 L CB -0.539 41.537 42.059 0.029 0.000 0.891 30 L HN 0.019 nan 8.230 nan 0.000 0.431 31 V N -0.088 119.854 119.914 0.046 0.000 2.343 31 V HA -0.277 3.856 4.120 0.022 0.000 0.247 31 V C 2.421 178.542 176.094 0.045 0.000 1.051 31 V CA 1.567 63.891 62.300 0.040 0.000 1.036 31 V CB -0.440 31.403 31.823 0.034 0.000 0.654 31 V HN 0.318 nan 8.190 nan 0.000 0.451 32 L N -0.116 121.138 121.223 0.051 0.000 2.013 32 L HA -0.191 4.162 4.340 0.022 0.000 0.212 32 L C 2.210 179.110 176.870 0.050 0.000 1.073 32 L CA 1.981 56.847 54.840 0.044 0.000 0.753 32 L CB -0.609 41.475 42.059 0.041 0.000 0.890 32 L HN 0.216 nan 8.230 nan 0.000 0.432 33 L N -0.812 120.457 121.223 0.078 0.000 2.083 33 L HA -0.219 4.134 4.340 0.022 0.000 0.209 33 L C 2.289 179.220 176.870 0.102 0.000 1.083 33 L CA 1.283 56.192 54.840 0.115 0.000 0.752 33 L CB -0.920 41.233 42.059 0.157 0.000 0.899 33 L HN 0.303 nan 8.230 nan 0.000 0.433 34 D N 0.127 120.570 120.400 0.072 0.000 2.104 34 D HA -0.191 4.462 4.640 0.022 0.000 0.194 34 D C 1.963 178.290 176.300 0.045 0.000 0.994 34 D CA 1.177 55.210 54.000 0.055 0.000 0.830 34 D CB -0.325 40.497 40.800 0.037 0.000 0.959 34 D HN 0.336 nan 8.370 nan 0.000 0.452 35 N N 0.240 118.963 118.700 0.038 0.000 2.188 35 N HA -0.072 4.681 4.740 0.022 0.000 0.184 35 N C 2.072 177.597 175.510 0.025 0.000 1.018 35 N CA 0.402 53.469 53.050 0.028 0.000 0.858 35 N CB -0.018 38.487 38.487 0.031 0.000 0.989 35 N HN 0.221 nan 8.380 nan 0.000 0.426 36 L N 0.977 122.213 121.223 0.022 0.000 2.141 36 L HA -0.088 4.265 4.340 0.022 0.000 0.209 36 L C 2.208 179.118 176.870 0.068 0.000 1.094 36 L CA 0.642 55.481 54.840 -0.003 0.000 0.763 36 L CB -0.267 41.735 42.059 -0.095 0.000 0.908 36 L HN 0.129 nan 8.230 nan 0.000 0.437 37 L N -0.599 120.675 121.223 0.085 0.000 2.362 37 L HA -0.172 4.182 4.340 0.022 0.000 0.219 37 L C 2.314 179.206 176.870 0.036 0.000 1.134 37 L CA 0.596 55.481 54.840 0.074 0.000 0.807 37 L CB -0.203 41.902 42.059 0.077 0.000 0.927 37 L HN 0.299 nan 8.230 nan 0.000 0.447 38 L N -0.727 120.510 121.223 0.024 0.000 2.201 38 L HA -0.141 4.213 4.340 0.022 0.000 0.212 38 L C 1.185 178.052 176.870 -0.006 0.000 1.105 38 L CA 0.497 55.338 54.840 0.002 0.000 0.775 38 L CB -0.440 41.613 42.059 -0.010 0.000 0.913 38 L HN 0.308 nan 8.230 nan 0.000 0.440 39 N N 0.991 119.694 118.700 0.005 0.000 2.406 39 N HA 0.001 4.755 4.740 0.022 0.000 0.251 39 N C 0.531 176.038 175.510 -0.005 0.000 1.069 39 N CA 0.087 53.137 53.050 0.000 0.000 0.947 39 N CB 1.023 39.516 38.487 0.010 0.000 1.111 39 N HN -0.003 nan 8.380 nan 0.000 0.497 40 K N 2.264 122.654 120.400 -0.017 0.000 2.487 40 K HA 0.091 4.425 4.320 0.022 0.000 0.192 40 K C 0.422 176.996 176.600 -0.044 0.000 1.027 40 K CA 0.137 56.407 56.287 -0.028 0.000 1.054 40 K CB 0.267 32.751 32.500 -0.026 0.000 0.824 40 K HN 0.513 nan 8.250 nan 0.000 0.510 41 N N 1.176 119.854 118.700 -0.037 0.000 2.521 41 N HA -0.007 4.747 4.740 0.022 0.000 0.188 41 N C 0.725 176.188 175.510 -0.078 0.000 1.146 41 N CA 0.384 53.405 53.050 -0.048 0.000 0.893 41 N CB 0.158 38.628 38.487 -0.028 0.000 0.975 41 N HN 0.384 nan 8.380 nan 0.000 0.451 42 M N -1.613 117.936 119.600 -0.085 0.000 2.531 42 M HA 0.487 4.981 4.480 0.022 0.000 0.286 42 M C -1.388 174.799 176.300 -0.187 0.000 1.232 42 M CA -0.822 54.385 55.300 -0.154 0.000 0.877 42 M CB 2.571 35.132 32.600 -0.065 0.000 1.726 42 M HN -0.293 nan 8.290 nan 0.000 0.463 43 E N 1.058 121.046 120.200 -0.352 0.000 2.250 43 E HA 0.340 4.704 4.350 0.022 0.000 0.269 43 E C -1.354 174.918 176.600 -0.546 0.000 1.018 43 E CA -0.803 55.391 56.400 -0.343 0.000 0.873 43 E CB 2.030 31.548 29.700 -0.304 0.000 1.134 43 E HN 0.621 nan 8.360 nan 0.000 0.403 44 Q N 1.773 121.230 119.800 -0.571 0.000 2.340 44 Q HA 0.317 4.671 4.340 0.022 0.000 0.259 44 Q C -1.499 173.926 176.000 -0.958 0.000 0.964 44 Q CA -0.522 54.728 55.803 -0.922 0.000 0.900 44 Q CB 1.141 29.551 28.738 -0.547 0.000 1.228 44 Q HN 0.256 nan 8.270 nan 0.000 0.449 45 V N 5.254 124.596 119.914 -0.953 0.000 2.398 45 V HA 0.331 4.465 4.120 0.022 0.000 0.286 45 V C -0.930 174.858 176.094 -0.511 0.000 1.026 45 V CA -0.689 61.199 62.300 -0.687 0.000 0.868 45 V CB 0.650 32.109 31.823 -0.607 0.000 0.982 45 V HN 0.652 nan 8.190 nan 0.000 0.443 46 Y N 2.544 122.880 120.300 0.059 0.000 2.352 46 Y HA 0.620 5.183 4.550 0.022 0.000 0.326 46 Y C 0.545 176.519 175.900 0.125 0.000 1.166 46 Y CA -0.692 57.456 58.100 0.082 0.000 1.182 46 Y CB 1.217 39.697 38.460 0.033 0.000 1.216 46 Y HN 0.565 nan 8.280 nan 0.000 0.474 47 C N 0.234 119.692 119.300 0.263 0.000 2.719 47 C HA 0.359 4.832 4.460 0.022 0.000 0.327 47 C C 1.503 176.532 174.990 0.065 0.000 1.238 47 C CA -0.702 58.400 59.018 0.139 0.000 1.727 47 C CB 1.511 29.352 27.740 0.167 0.000 2.256 47 C HN 1.110 nan 8.230 nan 0.000 0.489 48 C N 1.435 120.728 119.300 -0.012 0.000 2.489 48 C HA 0.010 4.484 4.460 0.022 0.000 0.279 48 C C 0.975 175.970 174.990 0.009 0.000 1.266 48 C CA 1.010 60.014 59.018 -0.023 0.000 1.707 48 C CB -1.442 26.254 27.740 -0.072 0.000 2.059 48 C HN 1.006 nan 8.230 nan 0.000 0.481 49 N N -0.622 118.088 118.700 0.016 0.000 2.697 49 N HA 0.301 5.054 4.740 0.022 0.000 0.272 49 N C -0.370 175.155 175.510 0.025 0.000 1.381 49 N CA -0.587 52.477 53.050 0.024 0.000 0.797 49 N CB 0.446 38.950 38.487 0.027 0.000 1.523 49 N HN -0.086 nan 8.380 nan 0.000 0.518 50 E N -0.491 119.715 120.200 0.010 0.000 2.216 50 E HA 0.044 4.408 4.350 0.022 0.000 0.192 50 E C 1.360 177.937 176.600 -0.039 0.000 0.988 50 E CA 0.388 56.783 56.400 -0.008 0.000 0.834 50 E CB -0.156 29.523 29.700 -0.034 0.000 0.772 50 E HN 0.530 nan 8.360 nan 0.000 0.479 51 L N 1.057 122.261 121.223 -0.033 0.000 2.017 51 L HA -0.159 4.194 4.340 0.022 0.000 0.208 51 L C 1.339 178.174 176.870 -0.059 0.000 1.073 51 L CA 1.757 56.549 54.840 -0.080 0.000 0.745 51 L CB -0.439 41.632 42.059 0.019 0.000 0.894 51 L HN 0.031 nan 8.230 nan 0.000 0.432 52 N N -1.131 117.597 118.700 0.047 0.000 2.223 52 N HA -0.204 4.549 4.740 0.022 0.000 0.185 52 N C 2.018 177.560 175.510 0.054 0.000 1.016 52 N CA 1.414 54.520 53.050 0.094 0.000 0.863 52 N CB -1.067 37.450 38.487 0.050 0.000 0.983 52 N HN 0.536 nan 8.380 nan 0.000 0.429 53 C N 0.392 119.708 119.300 0.027 0.000 2.432 53 C HA 0.005 4.479 4.460 0.022 0.000 0.277 53 C C 2.743 177.707 174.990 -0.043 0.000 1.249 53 C CA 1.320 60.361 59.018 0.037 0.000 1.725 53 C CB -1.279 26.509 27.740 0.080 0.000 2.028 53 C HN 0.519 nan 8.230 nan 0.000 0.477 54 G N -0.702 108.044 108.800 -0.090 0.000 2.446 54 G HA2 -0.176 3.797 3.960 0.022 0.000 0.217 54 G HA3 -0.176 3.797 3.960 0.022 0.000 0.217 54 G C 1.324 176.151 174.900 -0.121 0.000 1.168 54 G CA 0.887 45.897 45.100 -0.151 0.000 0.771 54 G HN 0.482 nan 8.290 nan 0.000 0.551 55 F N 1.736 121.683 119.950 -0.006 0.000 2.293 55 F HA 0.050 4.592 4.527 0.024 0.000 0.300 55 F C 2.976 178.721 175.800 -0.092 0.000 1.086 55 F CA 0.826 58.839 58.000 0.021 0.000 1.375 55 F CB -0.384 38.643 39.000 0.046 0.000 1.045 55 F HN 0.084 nan 8.300 nan 0.000 0.516 56 S N -0.034 115.639 115.700 -0.046 0.000 2.368 56 S HA -0.130 4.354 4.470 0.022 0.000 0.224 56 S C 2.427 176.619 174.600 -0.679 0.000 1.029 56 S CA 1.004 58.986 58.200 -0.364 0.000 0.988 56 S CB -0.627 62.288 63.200 -0.474 0.000 0.838 56 S HN 0.346 nan 8.310 nan 0.000 0.462 57 A N 1.602 124.066 122.820 -0.593 0.000 1.902 57 A HA -0.139 4.195 4.320 0.022 0.000 0.217 57 A C 2.090 179.690 177.584 0.027 0.000 1.181 57 A CA 1.424 53.291 52.037 -0.283 0.000 0.623 57 A CB -0.541 18.434 19.000 -0.041 0.000 0.818 57 A HN 0.437 nan 8.150 nan 0.000 0.443 58 E N -0.125 120.129 120.200 0.089 0.000 2.085 58 E HA -0.172 4.191 4.350 0.022 0.000 0.194 58 E C 2.129 178.887 176.600 0.263 0.000 0.994 58 E CA 1.435 57.971 56.400 0.226 0.000 0.801 58 E CB -0.465 29.477 29.700 0.402 0.000 0.743 58 E HN 0.512 nan 8.360 nan 0.000 0.453 59 G N -0.501 108.425 108.800 0.211 0.000 2.422 59 G HA2 -0.276 3.697 3.960 0.022 0.000 0.218 59 G HA3 -0.276 3.697 3.960 0.022 0.000 0.218 59 G C 1.501 176.541 174.900 0.234 0.000 1.140 59 G CA 0.685 45.919 45.100 0.224 0.000 0.775 59 G HN 0.342 nan 8.290 nan 0.000 0.545 60 Y N 1.900 122.209 120.300 0.015 0.000 2.181 60 Y HA -0.007 4.556 4.550 0.022 0.000 0.288 60 Y C 2.924 178.858 175.900 0.057 0.000 1.146 60 Y CA 1.375 59.492 58.100 0.028 0.000 1.164 60 Y CB -0.191 38.354 38.460 0.142 0.000 0.982 60 Y HN 0.242 nan 8.280 nan 0.000 0.515 61 A N 0.301 123.262 122.820 0.236 0.000 1.972 61 A HA -0.202 4.132 4.320 0.022 0.000 0.219 61 A C 2.231 179.867 177.584 0.087 0.000 1.169 61 A CA 1.723 53.850 52.037 0.150 0.000 0.635 61 A CB -0.566 18.526 19.000 0.154 0.000 0.810 61 A HN 0.535 nan 8.150 nan 0.000 0.446 62 R N -0.775 119.818 120.500 0.154 0.000 2.148 62 R HA 0.001 4.355 4.340 0.022 0.000 0.227 62 R C 2.283 178.666 176.300 0.138 0.000 1.103 62 R CA 1.056 57.279 56.100 0.206 0.000 0.983 62 R CB -0.270 30.245 30.300 0.358 0.000 0.874 62 R HN 0.524 nan 8.270 nan 0.000 0.451 63 A N 0.594 123.360 122.820 -0.090 0.000 1.943 63 A HA 0.004 4.337 4.320 0.022 0.000 0.213 63 A C 1.584 178.970 177.584 -0.330 0.000 1.181 63 A CA 0.849 52.629 52.037 -0.429 0.000 0.653 63 A CB 0.300 18.747 19.000 -0.922 0.000 0.833 63 A HN 0.008 nan 8.150 nan 0.000 0.451 64 K N -2.221 117.989 120.400 -0.318 0.000 2.402 64 K HA 0.277 4.611 4.320 0.022 0.000 0.203 64 K C 1.084 177.640 176.600 -0.073 0.000 1.077 64 K CA 0.813 56.953 56.287 -0.244 0.000 1.051 64 K CB 1.182 33.444 32.500 -0.396 0.000 0.907 64 K HN 0.655 nan 8.250 nan 0.000 0.554 65 G N 1.282 110.064 108.800 -0.030 0.000 2.279 65 G HA2 -0.218 3.755 3.960 0.022 0.000 0.223 65 G HA3 -0.218 3.755 3.960 0.022 0.000 0.223 65 G C 0.208 175.144 174.900 0.059 0.000 1.015 65 G CA 0.071 45.183 45.100 0.020 0.000 0.621 65 G HN 0.623 nan 8.290 nan 0.000 0.506 66 A N -1.034 121.848 122.820 0.103 0.000 2.581 66 A HA 1.158 5.491 4.320 0.022 0.000 0.290 66 A C -0.295 177.440 177.584 0.252 0.000 1.119 66 A CA 0.698 52.813 52.037 0.131 0.000 0.670 66 A CB 0.856 19.912 19.000 0.092 0.000 1.280 66 A HN 2.296 nan 8.150 nan 0.000 0.425 67 A N -1.192 121.760 122.820 0.220 0.000 2.566 67 A HA 1.003 5.336 4.320 0.022 0.000 0.290 67 A C -0.779 176.903 177.584 0.163 0.000 1.071 67 A CA 0.060 52.262 52.037 0.275 0.000 0.658 67 A CB 0.503 19.721 19.000 0.364 0.000 1.285 67 A HN 2.664 nan 8.150 nan 0.000 0.427 68 A N -0.564 122.359 122.820 0.171 0.000 2.486 68 A HA 0.976 5.310 4.320 0.022 0.000 0.300 68 A C -0.452 177.258 177.584 0.210 0.000 1.048 68 A CA 0.087 52.207 52.037 0.137 0.000 0.696 68 A CB 1.386 20.430 19.000 0.073 0.000 1.278 68 A HN 2.567 nan 8.150 nan 0.000 0.405 69 A N 1.093 124.005 122.820 0.154 0.000 2.393 69 A HA 0.727 5.060 4.320 0.022 0.000 0.306 69 A C -1.119 176.539 177.584 0.123 0.000 1.050 69 A CA -0.483 51.658 52.037 0.174 0.000 0.724 69 A CB 1.440 20.511 19.000 0.119 0.000 1.248 69 A HN 1.404 nan 8.150 nan 0.000 0.424 70 V N 3.019 123.021 119.914 0.146 0.000 2.448 70 V HA 0.674 4.807 4.120 0.022 0.000 0.295 70 V C 0.117 176.277 176.094 0.110 0.000 1.025 70 V CA -0.383 61.982 62.300 0.108 0.000 0.859 70 V CB 1.036 32.932 31.823 0.122 0.000 0.988 70 V HN 1.219 nan 8.190 nan 0.000 0.431 71 V N 1.449 121.410 119.914 0.078 0.000 3.158 71 V HA 0.787 4.920 4.120 0.022 0.000 0.311 71 V C -0.248 175.896 176.094 0.083 0.000 1.181 71 V CA -0.612 61.729 62.300 0.069 0.000 1.054 71 V CB 2.003 33.839 31.823 0.021 0.000 1.085 71 V HN 0.698 nan 8.190 nan 0.000 0.446 72 T N -0.149 114.457 114.554 0.086 0.000 2.927 72 T HA 0.487 4.851 4.350 0.022 0.000 0.281 72 T C -0.857 173.922 174.700 0.132 0.000 0.998 72 T CA -0.189 62.011 62.100 0.166 0.000 1.019 72 T CB 0.677 69.677 68.868 0.219 0.000 1.061 72 T HN 0.787 nan 8.240 nan 0.000 0.518 73 Y N 2.930 123.259 120.300 0.049 0.000 2.717 73 Y HA 0.182 4.744 4.550 0.019 0.000 0.330 73 Y C 1.572 177.429 175.900 -0.071 0.000 1.217 73 Y CA 1.545 59.575 58.100 -0.116 0.000 1.506 73 Y CB -0.282 37.889 38.460 -0.482 0.000 1.268 73 Y HN 1.005 nan 8.280 nan 0.000 0.561 74 S N 1.024 116.311 115.700 -0.689 0.000 3.844 74 S HA -0.348 4.136 4.470 0.022 0.000 0.256 74 S C 1.409 175.853 174.600 -0.260 0.000 1.740 74 S CA 2.301 60.205 58.200 -0.493 0.000 3.913 74 S CB -1.871 61.149 63.200 -0.299 0.000 0.658 74 S HN 1.181 nan 8.310 nan 0.000 0.463 75 V N 0.840 120.630 119.914 -0.206 0.000 2.490 75 V HA 0.152 4.285 4.120 0.022 0.000 0.250 75 V C 2.190 178.180 176.094 -0.174 0.000 1.061 75 V CA 2.558 64.742 62.300 -0.193 0.000 1.064 75 V CB -1.498 30.149 31.823 -0.294 0.000 0.670 75 V HN 0.730 nan 8.190 nan 0.000 0.461 76 G N -0.273 108.425 108.800 -0.170 0.000 2.417 76 G HA2 0.090 4.063 3.960 0.022 0.000 0.212 76 G HA3 0.090 4.063 3.960 0.022 0.000 0.212 76 G C 1.713 176.494 174.900 -0.198 0.000 1.187 76 G CA 0.888 45.912 45.100 -0.127 0.000 0.804 76 G HN 0.778 nan 8.290 nan 0.000 0.534 77 A N 0.584 123.227 122.820 -0.295 0.000 1.877 77 A HA 0.064 4.397 4.320 0.022 0.000 0.216 77 A C 2.374 179.423 177.584 -0.892 0.000 1.186 77 A CA 1.468 53.192 52.037 -0.521 0.000 0.620 77 A CB -0.545 18.140 19.000 -0.525 0.000 0.822 77 A HN 0.271 nan 8.150 nan 0.000 0.443 78 L N 0.896 121.687 121.223 -0.719 0.000 2.013 78 L HA -0.220 4.133 4.340 0.022 0.000 0.212 78 L C 3.051 179.773 176.870 -0.247 0.000 1.073 78 L CA 2.545 57.051 54.840 -0.556 0.000 0.753 78 L CB -0.799 41.132 42.059 -0.213 0.000 0.890 78 L HN 0.595 nan 8.230 nan 0.000 0.432 79 S N -1.082 114.522 115.700 -0.160 0.000 2.383 79 S HA -0.128 4.355 4.470 0.022 0.000 0.227 79 S C 2.145 176.709 174.600 -0.060 0.000 1.026 79 S CA 0.732 58.903 58.200 -0.049 0.000 0.981 79 S CB -0.839 62.344 63.200 -0.027 0.000 0.818 79 S HN 0.342 nan 8.310 nan 0.000 0.472 80 A N 1.357 124.098 122.820 -0.131 0.000 1.978 80 A HA 0.053 4.387 4.320 0.022 0.000 0.220 80 A C 1.842 179.444 177.584 0.029 0.000 1.170 80 A CA 1.265 53.242 52.037 -0.100 0.000 0.636 80 A CB -1.052 17.894 19.000 -0.091 0.000 0.810 80 A HN 0.472 nan 8.150 nan 0.000 0.448 81 F N 0.578 120.502 119.950 -0.043 0.000 2.192 81 F HA -0.184 4.362 4.527 0.031 0.000 0.301 81 F C 2.170 177.963 175.800 -0.012 0.000 1.079 81 F CA 1.180 59.159 58.000 -0.034 0.000 1.303 81 F CB -0.919 38.070 39.000 -0.018 0.000 1.024 81 F HN 0.325 nan 8.300 nan 0.000 0.494 82 D N -0.001 120.534 120.400 0.224 0.000 2.117 82 D HA -0.138 4.516 4.640 0.022 0.000 0.197 82 D C 2.255 178.618 176.300 0.105 0.000 0.987 82 D CA 1.361 55.540 54.000 0.299 0.000 0.829 82 D CB -0.141 40.839 40.800 0.300 0.000 0.961 82 D HN 0.196 nan 8.370 nan 0.000 0.460 83 A N 0.518 123.139 122.820 -0.332 0.000 1.930 83 A HA -0.090 4.243 4.320 0.022 0.000 0.217 83 A C 2.240 179.628 177.584 -0.326 0.000 1.175 83 A CA 0.690 52.267 52.037 -0.766 0.000 0.627 83 A CB -0.374 18.008 19.000 -1.031 0.000 0.815 83 A HN 0.240 nan 8.150 nan 0.000 0.443 84 I N 0.093 120.568 120.570 -0.159 0.000 2.252 84 I HA -0.142 4.041 4.170 0.022 0.000 0.245 84 I C 2.675 178.659 176.117 -0.221 0.000 1.102 84 I CA 1.377 62.619 61.300 -0.096 0.000 1.385 84 I CB -1.944 36.082 38.000 0.044 0.000 1.064 84 I HN 0.337 nan 8.210 nan 0.000 0.414 85 G N 0.751 109.360 108.800 -0.318 0.000 2.442 85 G HA2 -0.211 3.763 3.960 0.022 0.000 0.219 85 G HA3 -0.211 3.763 3.960 0.022 0.000 0.219 85 G C 1.742 175.800 174.900 -1.403 0.000 1.141 85 G CA 0.930 45.632 45.100 -0.665 0.000 0.763 85 G HN 0.481 nan 8.290 nan 0.000 0.554 86 G N 0.964 108.818 108.800 -1.577 0.000 2.402 86 G HA2 0.082 4.056 3.960 0.022 0.000 0.216 86 G HA3 0.082 4.056 3.960 0.022 0.000 0.216 86 G C 2.041 176.640 174.900 -0.502 0.000 1.162 86 G CA 1.418 45.586 45.100 -1.553 0.000 0.777 86 G HN 0.626 nan 8.290 nan 0.000 0.539 87 A N -0.147 122.516 122.820 -0.261 0.000 1.933 87 A HA -0.029 4.304 4.320 0.022 0.000 0.218 87 A C 2.187 179.705 177.584 -0.111 0.000 1.175 87 A CA 1.635 53.617 52.037 -0.092 0.000 0.628 87 A CB -0.637 18.344 19.000 -0.032 0.000 0.814 87 A HN 0.436 nan 8.150 nan 0.000 0.444 88 Y N 0.520 120.665 120.300 -0.258 0.000 2.145 88 Y HA -0.112 4.459 4.550 0.035 0.000 0.286 88 Y C 2.693 178.495 175.900 -0.164 0.000 1.145 88 Y CA 1.368 59.350 58.100 -0.197 0.000 1.148 88 Y CB -0.480 37.848 38.460 -0.219 0.000 0.981 88 Y HN 0.306 nan 8.280 nan 0.000 0.507 89 A N -0.257 122.568 122.820 0.009 0.000 2.019 89 A HA -0.133 4.201 4.320 0.022 0.000 0.219 89 A C 1.698 179.284 177.584 0.002 0.000 1.164 89 A CA 1.830 53.913 52.037 0.077 0.000 0.644 89 A CB -0.360 18.751 19.000 0.185 0.000 0.805 89 A HN 0.520 nan 8.150 nan 0.000 0.449 90 E N 0.218 120.384 120.200 -0.058 0.000 2.501 90 E HA 0.056 4.419 4.350 0.022 0.000 0.200 90 E C -0.627 175.940 176.600 -0.056 0.000 1.016 90 E CA -0.301 56.072 56.400 -0.045 0.000 0.921 90 E CB -0.203 29.472 29.700 -0.041 0.000 1.034 90 E HN 0.598 nan 8.360 nan 0.000 0.468 91 N N 0.889 119.516 118.700 -0.122 0.000 2.714 91 N HA -0.208 4.546 4.740 0.022 0.000 0.253 91 N C -0.713 174.736 175.510 -0.102 0.000 1.024 91 N CA 0.671 53.628 53.050 -0.155 0.000 0.726 91 N CB -1.479 36.932 38.487 -0.126 0.000 0.908 91 N HN 0.228 nan 8.380 nan 0.000 0.542 92 L N 0.214 121.387 121.223 -0.084 0.000 2.356 92 L HA 0.422 4.776 4.340 0.022 0.000 0.277 92 L C -2.130 174.721 176.870 -0.032 0.000 0.996 92 L CA -1.796 53.029 54.840 -0.026 0.000 0.822 92 L CB 2.247 44.328 42.059 0.037 0.000 1.256 92 L HN -0.223 nan 8.230 nan 0.000 0.413 93 P HA 0.085 nan 4.420 nan 0.000 0.244 93 P C -0.560 176.752 177.300 0.020 0.000 1.769 93 P CA -0.048 63.039 63.100 -0.022 0.000 1.102 93 P CB 0.087 31.769 31.700 -0.031 0.000 1.937 94 V N 4.444 124.374 119.914 0.028 0.000 2.432 94 V HA 0.244 4.378 4.120 0.022 0.000 0.275 94 V C 0.734 176.855 176.094 0.045 0.000 1.043 94 V CA -0.414 61.919 62.300 0.055 0.000 0.925 94 V CB 1.115 32.973 31.823 0.059 0.000 0.985 94 V HN 0.281 nan 8.190 nan 0.000 0.466 95 I N 5.954 126.554 120.570 0.050 0.000 2.307 95 I HA 0.310 4.494 4.170 0.022 0.000 0.289 95 I C -0.383 175.762 176.117 0.046 0.000 1.021 95 I CA -0.405 60.914 61.300 0.033 0.000 1.224 95 I CB 1.342 39.346 38.000 0.007 0.000 1.376 95 I HN 0.428 nan 8.210 nan 0.000 0.470 96 L N 8.929 130.190 121.223 0.064 0.000 2.264 96 L HA 0.550 4.904 4.340 0.022 0.000 0.289 96 L C -0.730 176.131 176.870 -0.015 0.000 1.044 96 L CA 0.083 54.970 54.840 0.079 0.000 0.807 96 L CB 0.758 42.931 42.059 0.191 0.000 1.192 96 L HN 0.389 nan 8.230 nan 0.000 0.425 97 I N 4.314 124.864 120.570 -0.034 0.000 2.389 97 I HA 0.429 4.613 4.170 0.022 0.000 0.288 97 I C 0.004 176.079 176.117 -0.070 0.000 0.999 97 I CA -0.037 61.196 61.300 -0.113 0.000 1.129 97 I CB 1.818 39.769 38.000 -0.082 0.000 1.288 97 I HN 0.597 nan 8.210 nan 0.000 0.444 98 S N 3.880 119.501 115.700 -0.132 0.000 2.501 98 S HA 0.780 5.263 4.470 0.022 0.000 0.301 98 S C 0.192 174.801 174.600 0.016 0.000 1.096 98 S CA -0.606 57.587 58.200 -0.012 0.000 1.063 98 S CB 1.168 64.406 63.200 0.064 0.000 1.042 98 S HN 0.793 nan 8.310 nan 0.000 0.494 99 G N 1.823 110.677 108.800 0.091 0.000 2.594 99 G HA2 0.579 4.553 3.960 0.022 0.000 0.243 99 G HA3 0.579 4.553 3.960 0.022 0.000 0.243 99 G C -0.183 174.759 174.900 0.070 0.000 1.229 99 G CA 0.117 45.288 45.100 0.118 0.000 0.843 99 G HN 1.134 nan 8.290 nan 0.000 0.578 100 A N 1.764 124.546 122.820 -0.063 0.000 2.583 100 A HA 0.902 5.236 4.320 0.022 0.000 0.289 100 A C -2.914 174.374 177.584 -0.494 0.000 1.151 100 A CA -1.391 50.393 52.037 -0.422 0.000 0.695 100 A CB 1.240 20.117 19.000 -0.204 0.000 1.290 100 A HN 0.509 nan 8.150 nan 0.000 0.419 101 P HA 0.015 nan 4.420 nan 0.000 0.268 101 P C -0.314 176.924 177.300 -0.104 0.000 1.208 101 P CA -0.266 62.537 63.100 -0.496 0.000 0.777 101 P CB 0.314 31.473 31.700 -0.901 0.000 0.875 102 N N 3.081 121.795 118.700 0.022 0.000 2.219 102 N HA -0.133 4.621 4.740 0.022 0.000 0.263 102 N C 1.037 176.595 175.510 0.081 0.000 1.269 102 N CA 0.281 53.367 53.050 0.061 0.000 0.831 102 N CB 0.266 38.789 38.487 0.060 0.000 1.059 102 N HN 0.381 nan 8.380 nan 0.000 0.475 103 N N 3.689 122.475 118.700 0.144 0.000 2.573 103 N HA -0.129 4.624 4.740 0.022 0.000 0.187 103 N C 0.361 175.984 175.510 0.188 0.000 1.107 103 N CA 0.854 54.044 53.050 0.234 0.000 0.918 103 N CB -0.255 38.331 38.487 0.166 0.000 0.966 103 N HN 0.467 nan 8.380 nan 0.000 0.448 104 N N 0.619 119.388 118.700 0.116 0.000 2.457 104 N HA -0.057 4.697 4.740 0.022 0.000 0.180 104 N C 0.103 175.665 175.510 0.087 0.000 1.050 104 N CA 0.599 53.706 53.050 0.095 0.000 0.906 104 N CB 0.042 38.585 38.487 0.093 0.000 0.968 104 N HN 0.361 nan 8.380 nan 0.000 0.445 105 D N -0.160 120.278 120.400 0.065 0.000 2.348 105 D HA -0.011 4.643 4.640 0.022 0.000 0.211 105 D C 0.375 176.626 176.300 -0.081 0.000 0.998 105 D CA 0.355 54.375 54.000 0.033 0.000 0.873 105 D CB 0.137 40.940 40.800 0.004 0.000 0.925 105 D HN 0.329 nan 8.370 nan 0.000 0.524 106 H N 0.603 119.665 119.070 -0.012 0.000 2.732 106 H HA 0.257 4.824 4.556 0.019 0.000 0.351 106 H C 1.030 176.314 175.328 -0.073 0.000 1.090 106 H CA 0.201 56.236 56.048 -0.020 0.000 1.431 106 H CB 1.003 30.678 29.762 -0.145 0.000 1.447 106 H HN -0.033 nan 8.280 nan 0.000 0.582 107 A N 1.992 124.839 122.820 0.045 0.000 2.596 107 A HA -0.206 4.127 4.320 0.022 0.000 0.300 107 A C 1.243 178.775 177.584 -0.086 0.000 1.495 107 A CA 1.173 53.196 52.037 -0.024 0.000 0.769 107 A CB -1.755 17.233 19.000 -0.020 0.000 1.047 107 A HN 0.875 nan 8.150 nan 0.000 0.436 108 A N -1.137 121.579 122.820 -0.173 0.000 2.498 108 A HA 0.588 4.922 4.320 0.022 0.000 0.238 108 A C 2.062 179.432 177.584 -0.357 0.000 1.225 108 A CA 1.239 53.062 52.037 -0.357 0.000 0.978 108 A CB -0.220 18.355 19.000 -0.709 0.000 1.142 108 A HN 2.619 nan 8.150 nan 0.000 0.552 109 G N 0.249 108.946 108.800 -0.172 0.000 2.225 109 G HA2 -0.246 3.727 3.960 0.022 0.000 0.264 109 G HA3 -0.246 3.727 3.960 0.022 0.000 0.264 109 G C -0.230 174.742 174.900 0.120 0.000 1.060 109 G CA 0.481 45.565 45.100 -0.027 0.000 0.833 109 G HN 0.826 nan 8.290 nan 0.000 0.498 110 H N -1.142 117.983 119.070 0.092 0.000 2.467 110 H HA 0.481 5.050 4.556 0.023 0.000 0.326 110 H C 0.135 175.578 175.328 0.192 0.000 1.094 110 H CA -1.202 54.918 56.048 0.120 0.000 1.253 110 H CB 1.956 31.786 29.762 0.112 0.000 1.439 110 H HN 0.116 nan 8.280 nan 0.000 0.479 111 V N 5.713 125.794 119.914 0.277 0.000 2.498 111 V HA 0.157 4.291 4.120 0.022 0.000 0.279 111 V C 0.142 176.392 176.094 0.260 0.000 1.048 111 V CA -0.331 62.122 62.300 0.255 0.000 0.967 111 V CB 0.824 32.742 31.823 0.158 0.000 0.988 111 V HN 0.522 nan 8.190 nan 0.000 0.473 112 L N 4.579 125.997 121.223 0.324 0.000 2.354 112 L HA 0.558 4.911 4.340 0.022 0.000 0.269 112 L C 0.285 177.286 176.870 0.219 0.000 1.005 112 L CA -1.007 53.963 54.840 0.217 0.000 0.819 112 L CB 1.814 43.891 42.059 0.030 0.000 1.311 112 L HN 0.793 nan 8.230 nan 0.000 0.423 113 H N 1.548 120.681 119.070 0.105 0.000 2.998 113 H HA -0.056 4.515 4.556 0.025 0.000 0.353 113 H C 0.013 175.468 175.328 0.212 0.000 1.099 113 H CA 0.481 56.556 56.048 0.045 0.000 1.393 113 H CB 0.354 30.004 29.762 -0.187 0.000 1.343 113 H HN 0.754 nan 8.280 nan 0.000 0.609 114 H N -1.545 117.650 119.070 0.208 0.000 3.898 114 H HA -0.186 4.383 4.556 0.022 0.000 0.171 114 H C 0.496 175.964 175.328 0.232 0.000 0.920 114 H CA 1.012 57.177 56.048 0.195 0.000 1.238 114 H CB -1.753 28.144 29.762 0.226 0.000 0.997 114 H HN 0.930 nan 8.280 nan 0.000 0.380 115 A N 0.148 123.206 122.820 0.396 0.000 2.326 115 A HA 0.665 4.999 4.320 0.022 0.000 0.303 115 A C 1.566 179.315 177.584 0.276 0.000 1.164 115 A CA -0.094 52.227 52.037 0.474 0.000 0.929 115 A CB 0.454 19.878 19.000 0.707 0.000 1.363 115 A HN 0.117 nan 8.150 nan 0.000 0.498 116 L N -0.208 121.115 121.223 0.168 0.000 2.465 116 L HA 0.157 4.511 4.340 0.022 0.000 0.224 116 L C 1.747 178.636 176.870 0.033 0.000 1.145 116 L CA 1.165 55.998 54.840 -0.012 0.000 0.834 116 L CB -0.338 41.578 42.059 -0.238 0.000 0.944 116 L HN 1.183 nan 8.230 nan 0.000 0.451 117 G N -0.300 108.557 108.800 0.095 0.000 2.176 117 G HA2 -0.232 3.741 3.960 0.022 0.000 0.232 117 G HA3 -0.232 3.741 3.960 0.022 0.000 0.232 117 G C 0.320 175.246 174.900 0.042 0.000 0.986 117 G CA -0.070 45.079 45.100 0.082 0.000 0.643 117 G HN 0.330 nan 8.290 nan 0.000 0.522 118 K N -0.142 120.257 120.400 -0.001 0.000 2.362 118 K HA 0.616 4.950 4.320 0.022 0.000 0.245 118 K C 1.519 178.062 176.600 -0.095 0.000 1.040 118 K CA 0.139 56.400 56.287 -0.045 0.000 0.961 118 K CB 0.399 32.852 32.500 -0.077 0.000 1.252 118 K HN 0.225 nan 8.250 nan 0.000 0.503 119 T N -2.728 111.738 114.554 -0.147 0.000 3.176 119 T HA 0.084 4.448 4.350 0.022 0.000 0.263 119 T C -0.329 174.064 174.700 -0.512 0.000 1.021 119 T CA -0.387 61.587 62.100 -0.211 0.000 0.905 119 T CB -0.178 68.658 68.868 -0.054 0.000 1.057 119 T HN 0.373 nan 8.240 nan 0.000 0.558 120 D N 0.434 120.485 120.400 -0.581 0.000 2.278 120 D HA 0.302 4.955 4.640 0.022 0.000 0.245 120 D C -0.938 175.038 176.300 -0.539 0.000 1.052 120 D CA -1.056 52.688 54.000 -0.426 0.000 0.834 120 D CB 1.164 41.904 40.800 -0.100 0.000 1.194 120 D HN 0.228 nan 8.370 nan 0.000 0.481 121 Y N 1.644 122.077 120.300 0.221 0.000 2.716 121 Y HA 0.199 4.763 4.550 0.023 0.000 0.260 121 Y C 1.102 177.127 175.900 0.209 0.000 1.141 121 Y CA -0.371 57.853 58.100 0.206 0.000 1.168 121 Y CB 0.044 38.475 38.460 -0.048 0.000 1.189 121 Y HN 0.575 nan 8.280 nan 0.000 0.549 122 H N -1.151 118.056 119.070 0.230 0.000 2.563 122 H HA -0.027 4.526 4.556 -0.005 0.000 0.264 122 H C 1.810 177.220 175.328 0.136 0.000 0.957 122 H CA 0.735 56.902 56.048 0.197 0.000 1.173 122 H CB 0.205 30.068 29.762 0.168 0.000 1.420 122 H HN 0.447 nan 8.280 nan 0.000 0.551 123 Y N -0.627 119.813 120.300 0.233 0.000 2.242 123 Y HA -0.159 4.393 4.550 0.004 0.000 0.291 123 Y C 2.354 178.310 175.900 0.093 0.000 1.137 123 Y CA 1.242 59.429 58.100 0.145 0.000 1.181 123 Y CB -0.688 37.837 38.460 0.109 0.000 0.989 123 Y HN 0.240 nan 8.280 nan 0.000 0.527 124 Q N 0.560 120.054 119.800 -0.510 0.000 2.084 124 Q HA -0.188 4.165 4.340 0.022 0.000 0.202 124 Q C 2.220 178.138 176.000 -0.136 0.000 0.978 124 Q CA 1.795 57.454 55.803 -0.240 0.000 0.844 124 Q CB -0.251 28.227 28.738 -0.433 0.000 0.898 124 Q HN 0.575 nan 8.270 nan 0.000 0.426 125 L N 1.323 122.442 121.223 -0.173 0.000 1.990 125 L HA -0.226 4.127 4.340 0.022 0.000 0.213 125 L C 1.859 178.567 176.870 -0.270 0.000 1.072 125 L CA 2.186 56.865 54.840 -0.269 0.000 0.755 125 L CB -0.568 41.345 42.059 -0.243 0.000 0.889 125 L HN 0.278 nan 8.230 nan 0.000 0.432 126 E N -0.887 119.230 120.200 -0.138 0.000 2.097 126 E HA -0.293 4.070 4.350 0.022 0.000 0.196 126 E C 2.155 178.690 176.600 -0.109 0.000 1.000 126 E CA 1.986 58.361 56.400 -0.041 0.000 0.804 126 E CB -0.324 29.439 29.700 0.106 0.000 0.740 126 E HN 0.568 nan 8.360 nan 0.000 0.454 127 M N 0.417 119.958 119.600 -0.098 0.000 2.086 127 M HA -0.164 4.329 4.480 0.022 0.000 0.261 127 M C 2.539 178.516 176.300 -0.538 0.000 1.067 127 M CA 1.526 56.719 55.300 -0.178 0.000 1.116 127 M CB -0.294 32.340 32.600 0.056 0.000 1.348 127 M HN 0.139 nan 8.290 nan 0.000 0.407 128 A N 0.459 122.811 122.820 -0.780 0.000 1.978 128 A HA -0.178 4.156 4.320 0.022 0.000 0.220 128 A C 2.072 179.317 177.584 -0.566 0.000 1.170 128 A CA 1.661 53.068 52.037 -1.050 0.000 0.636 128 A CB -0.592 17.604 19.000 -1.340 0.000 0.810 128 A HN 0.448 nan 8.150 nan 0.000 0.448 129 K N -0.059 120.118 120.400 -0.371 0.000 2.211 129 K HA -0.108 4.226 4.320 0.022 0.000 0.204 129 K C 1.281 177.752 176.600 -0.214 0.000 1.047 129 K CA 1.168 57.328 56.287 -0.213 0.000 0.935 129 K CB -0.191 32.235 32.500 -0.123 0.000 0.728 129 K HN 0.478 nan 8.250 nan 0.000 0.452 130 N N 1.093 119.637 118.700 -0.261 0.000 2.459 130 N HA -0.067 4.687 4.740 0.022 0.000 0.181 130 N C 1.430 176.746 175.510 -0.323 0.000 1.046 130 N CA 1.030 53.937 53.050 -0.237 0.000 0.904 130 N CB 0.283 38.654 38.487 -0.193 0.000 0.964 130 N HN 0.395 nan 8.380 nan 0.000 0.444 131 I N -2.516 117.827 120.570 -0.377 0.000 3.994 131 I HA 0.266 4.449 4.170 0.022 0.000 0.323 131 I C -0.319 175.612 176.117 -0.310 0.000 1.501 131 I CA -0.438 60.600 61.300 -0.436 0.000 1.112 131 I CB 0.514 38.303 38.000 -0.351 0.000 1.254 131 I HN -0.234 nan 8.210 nan 0.000 0.495 132 T N -2.861 111.581 114.554 -0.187 0.000 2.887 132 T HA 0.746 5.109 4.350 0.022 0.000 0.292 132 T C 0.592 175.384 174.700 0.153 0.000 1.087 132 T CA -0.084 62.052 62.100 0.061 0.000 1.009 132 T CB 2.392 71.267 68.868 0.012 0.000 1.203 132 T HN 0.015 nan 8.240 nan 0.000 0.518 133 A N 0.129 123.061 122.820 0.188 0.000 2.195 133 A HA 0.766 5.099 4.320 0.022 0.000 0.210 133 A C 1.035 178.650 177.584 0.052 0.000 1.165 133 A CA 0.501 52.616 52.037 0.129 0.000 0.806 133 A CB -0.559 18.466 19.000 0.042 0.000 0.847 133 A HN 1.674 nan 8.150 nan 0.000 0.482 134 A N -1.444 121.402 122.820 0.043 0.000 2.582 134 A HA 0.691 5.024 4.320 0.022 0.000 0.297 134 A C -0.845 176.792 177.584 0.089 0.000 1.059 134 A CA 0.200 52.270 52.037 0.054 0.000 0.705 134 A CB 0.395 19.366 19.000 -0.048 0.000 1.279 134 A HN 1.628 nan 8.150 nan 0.000 0.404 135 A N 1.805 124.700 122.820 0.125 0.000 2.437 135 A HA 0.787 5.120 4.320 0.022 0.000 0.293 135 A C -1.230 176.460 177.584 0.177 0.000 1.038 135 A CA -0.382 51.775 52.037 0.200 0.000 0.708 135 A CB 1.283 20.351 19.000 0.112 0.000 1.251 135 A HN 0.648 nan 8.150 nan 0.000 0.409 136 E N 0.781 121.080 120.200 0.165 0.000 2.292 136 E HA 0.636 4.999 4.350 0.022 0.000 0.272 136 E C -0.752 175.819 176.600 -0.048 0.000 0.881 136 E CA -0.586 55.840 56.400 0.044 0.000 0.754 136 E CB 2.414 32.123 29.700 0.015 0.000 1.201 136 E HN 0.886 nan 8.360 nan 0.000 0.425 137 A N 3.489 126.220 122.820 -0.147 0.000 2.292 137 A HA 0.687 5.020 4.320 0.022 0.000 0.319 137 A C -0.236 176.979 177.584 -0.616 0.000 1.206 137 A CA -0.610 51.202 52.037 -0.376 0.000 0.835 137 A CB 0.333 19.070 19.000 -0.438 0.000 1.164 137 A HN 0.553 nan 8.150 nan 0.000 0.505 138 I N 2.728 122.965 120.570 -0.556 0.000 2.354 138 I HA 0.266 4.450 4.170 0.022 0.000 0.286 138 I C -0.528 175.342 176.117 -0.410 0.000 1.007 138 I CA -0.149 60.895 61.300 -0.427 0.000 1.167 138 I CB 1.038 38.901 38.000 -0.228 0.000 1.320 138 I HN 0.807 nan 8.210 nan 0.000 0.458 139 Y N 2.990 123.243 120.300 -0.078 0.000 2.498 139 Y HA 0.117 4.676 4.550 0.015 0.000 0.259 139 Y C 1.375 177.240 175.900 -0.059 0.000 1.086 139 Y CA -0.306 57.738 58.100 -0.092 0.000 1.287 139 Y CB 0.336 38.690 38.460 -0.177 0.000 1.146 139 Y HN 0.518 nan 8.280 nan 0.000 0.523 140 T N -3.611 110.980 114.554 0.062 0.000 2.906 140 T HA 0.366 4.730 4.350 0.022 0.000 0.295 140 T C -2.449 172.241 174.700 -0.018 0.000 1.061 140 T CA -2.424 59.693 62.100 0.028 0.000 1.000 140 T CB 2.666 71.551 68.868 0.027 0.000 1.103 140 T HN -0.345 nan 8.240 nan 0.000 0.486 141 P HA -0.013 nan 4.420 nan 0.000 0.217 141 P C 1.078 178.337 177.300 -0.068 0.000 1.150 141 P CA 0.983 64.059 63.100 -0.040 0.000 0.832 141 P CB 0.085 31.775 31.700 -0.017 0.000 0.787 142 E N -0.045 120.125 120.200 -0.051 0.000 2.209 142 E HA -0.182 4.181 4.350 0.022 0.000 0.196 142 E C 1.794 178.341 176.600 -0.089 0.000 0.993 142 E CA 1.098 57.462 56.400 -0.061 0.000 0.819 142 E CB -0.674 29.005 29.700 -0.036 0.000 0.745 142 E HN 0.461 nan 8.360 nan 0.000 0.477 143 E N -0.119 120.030 120.200 -0.086 0.000 2.299 143 E HA 0.024 4.388 4.350 0.022 0.000 0.193 143 E C 1.951 178.463 176.600 -0.148 0.000 0.998 143 E CA 0.454 56.794 56.400 -0.100 0.000 0.851 143 E CB 0.022 29.674 29.700 -0.081 0.000 0.795 143 E HN 0.264 nan 8.360 nan 0.000 0.492 144 A N 2.327 125.041 122.820 -0.177 0.000 1.873 144 A HA -0.150 4.184 4.320 0.022 0.000 0.218 144 A C -0.307 177.067 177.584 -0.349 0.000 1.193 144 A CA 1.388 53.287 52.037 -0.229 0.000 0.629 144 A CB -1.486 17.384 19.000 -0.216 0.000 0.826 144 A HN 0.129 nan 8.150 nan 0.000 0.447 145 P HA -0.149 nan 4.420 nan 0.000 0.214 145 P C 1.821 178.960 177.300 -0.269 0.000 1.163 145 P CA 2.128 64.758 63.100 -0.783 0.000 0.883 145 P CB -0.183 31.113 31.700 -0.674 0.000 0.788 146 A N -0.282 122.441 122.820 -0.162 0.000 1.902 146 A HA -0.238 4.096 4.320 0.022 0.000 0.217 146 A C 2.115 179.685 177.584 -0.024 0.000 1.181 146 A CA 2.004 54.003 52.037 -0.064 0.000 0.623 146 A CB -1.139 17.820 19.000 -0.068 0.000 0.818 146 A HN 0.139 nan 8.150 nan 0.000 0.443 147 K N -0.582 119.782 120.400 -0.060 0.000 2.103 147 K HA 0.056 4.389 4.320 0.022 0.000 0.204 147 K C 1.773 178.381 176.600 0.013 0.000 1.052 147 K CA 1.239 57.516 56.287 -0.017 0.000 0.945 147 K CB -0.286 32.172 32.500 -0.070 0.000 0.722 147 K HN 0.524 nan 8.250 nan 0.000 0.443 148 I N 1.452 122.008 120.570 -0.023 0.000 2.179 148 I HA -0.296 3.887 4.170 0.022 0.000 0.242 148 I C 1.615 177.766 176.117 0.057 0.000 1.088 148 I CA 1.264 62.578 61.300 0.024 0.000 1.357 148 I CB -0.249 37.803 38.000 0.086 0.000 1.051 148 I HN 0.148 nan 8.210 nan 0.000 0.409 149 D N -0.397 120.059 120.400 0.093 0.000 2.117 149 D HA -0.239 4.415 4.640 0.022 0.000 0.197 149 D C 1.980 178.303 176.300 0.039 0.000 0.987 149 D CA 1.484 55.528 54.000 0.072 0.000 0.829 149 D CB -0.459 40.397 40.800 0.094 0.000 0.961 149 D HN 0.435 nan 8.370 nan 0.000 0.460 150 H N 0.788 119.845 119.070 -0.022 0.000 2.321 150 H HA -0.106 4.462 4.556 0.019 0.000 0.300 150 H C 1.988 177.297 175.328 -0.032 0.000 1.087 150 H CA 2.538 58.569 56.048 -0.028 0.000 1.319 150 H CB -0.239 29.507 29.762 -0.026 0.000 1.379 150 H HN 0.061 nan 8.280 nan 0.000 0.501 151 V N -1.092 118.726 119.914 -0.160 0.000 2.453 151 V HA -0.106 4.028 4.120 0.022 0.000 0.247 151 V C 2.406 178.394 176.094 -0.176 0.000 1.048 151 V CA 1.813 63.989 62.300 -0.206 0.000 1.049 151 V CB -0.723 31.065 31.823 -0.058 0.000 0.672 151 V HN 0.457 nan 8.190 nan 0.000 0.457 152 I N -0.071 120.421 120.570 -0.129 0.000 2.286 152 I HA -0.146 4.038 4.170 0.022 0.000 0.245 152 I C 2.853 178.856 176.117 -0.190 0.000 1.104 152 I CA 1.697 62.914 61.300 -0.139 0.000 1.397 152 I CB -0.408 37.522 38.000 -0.116 0.000 1.072 152 I HN 0.255 nan 8.210 nan 0.000 0.417 153 K N 0.292 120.580 120.400 -0.185 0.000 2.063 153 K HA -0.151 4.182 4.320 0.022 0.000 0.208 153 K C 2.114 178.599 176.600 -0.191 0.000 1.048 153 K CA 1.892 58.067 56.287 -0.188 0.000 0.928 153 K CB -0.271 32.154 32.500 -0.124 0.000 0.713 153 K HN 0.308 nan 8.250 nan 0.000 0.442 154 T N 1.016 115.425 114.554 -0.241 0.000 2.746 154 T HA -0.134 4.230 4.350 0.022 0.000 0.267 154 T C 1.965 176.566 174.700 -0.164 0.000 1.039 154 T CA 1.337 63.304 62.100 -0.222 0.000 1.142 154 T CB -0.235 68.437 68.868 -0.326 0.000 0.866 154 T HN 0.323 nan 8.240 nan 0.000 0.444 155 A N 1.386 124.111 122.820 -0.157 0.000 1.883 155 A HA -0.036 4.298 4.320 0.022 0.000 0.217 155 A C 2.309 179.819 177.584 -0.124 0.000 1.186 155 A CA 1.341 53.304 52.037 -0.122 0.000 0.624 155 A CB -0.907 18.034 19.000 -0.097 0.000 0.822 155 A HN 0.483 nan 8.150 nan 0.000 0.444 156 L N -1.291 119.841 121.223 -0.152 0.000 2.093 156 L HA -0.153 4.200 4.340 0.022 0.000 0.208 156 L C 2.815 179.622 176.870 -0.105 0.000 1.085 156 L CA 1.741 56.493 54.840 -0.147 0.000 0.755 156 L CB -0.471 41.420 42.059 -0.280 0.000 0.904 156 L HN 0.493 nan 8.230 nan 0.000 0.435 157 R N 0.339 120.772 120.500 -0.112 0.000 2.062 157 R HA -0.114 4.239 4.340 0.022 0.000 0.229 157 R C 1.969 178.208 176.300 -0.102 0.000 1.128 157 R CA 1.287 57.335 56.100 -0.087 0.000 0.960 157 R CB 0.071 30.325 30.300 -0.076 0.000 0.855 157 R HN 0.364 nan 8.270 nan 0.000 0.432 158 E N 0.658 120.789 120.200 -0.114 0.000 2.385 158 E HA -0.021 4.342 4.350 0.022 0.000 0.194 158 E C -0.197 176.310 176.600 -0.155 0.000 1.013 158 E CA 0.073 56.395 56.400 -0.130 0.000 0.866 158 E CB 0.387 30.010 29.700 -0.128 0.000 0.832 158 E HN 0.151 nan 8.360 nan 0.000 0.500 159 K N 1.219 121.536 120.400 -0.139 0.000 3.239 159 K HA -0.114 4.219 4.320 0.022 0.000 0.270 159 K C -0.437 176.044 176.600 -0.199 0.000 1.049 159 K CA 0.716 56.921 56.287 -0.138 0.000 0.769 159 K CB -1.176 31.248 32.500 -0.126 0.000 1.305 159 K HN 0.084 nan 8.250 nan 0.000 0.469 160 K N -0.410 119.868 120.400 -0.204 0.000 2.512 160 K HA 0.510 4.844 4.320 0.022 0.000 0.263 160 K C -2.582 173.944 176.600 -0.124 0.000 0.966 160 K CA -1.926 54.193 56.287 -0.280 0.000 0.851 160 K CB 2.336 34.591 32.500 -0.409 0.000 1.395 160 K HN -0.127 nan 8.250 nan 0.000 0.440 161 P HA 0.245 nan 4.420 nan 0.000 0.276 161 P C -0.350 176.975 177.300 0.041 0.000 1.252 161 P CA -0.447 62.659 63.100 0.011 0.000 0.802 161 P CB 0.891 32.613 31.700 0.036 0.000 1.035 162 V N -1.594 118.347 119.914 0.043 0.000 3.160 162 V HA 0.661 4.794 4.120 0.022 0.000 0.310 162 V C -1.494 174.680 176.094 0.132 0.000 1.181 162 V CA -1.105 61.232 62.300 0.062 0.000 1.047 162 V CB 2.034 33.857 31.823 0.001 0.000 1.068 162 V HN 0.584 nan 8.190 nan 0.000 0.441 163 Y N 0.947 121.244 120.300 -0.006 0.000 2.442 163 Y HA 0.840 5.414 4.550 0.040 0.000 0.344 163 Y C -1.450 174.453 175.900 0.005 0.000 0.976 163 Y CA -0.952 57.158 58.100 0.017 0.000 1.040 163 Y CB 1.929 40.399 38.460 0.017 0.000 1.228 163 Y HN 0.842 nan 8.280 nan 0.000 0.451 164 L N 5.993 126.853 121.223 -0.605 0.000 2.401 164 L HA 0.522 4.875 4.340 0.022 0.000 0.266 164 L C -1.275 175.080 176.870 -0.857 0.000 0.991 164 L CA -0.844 53.656 54.840 -0.566 0.000 0.818 164 L CB 2.428 44.326 42.059 -0.268 0.000 1.321 164 L HN 0.772 nan 8.230 nan 0.000 0.413 165 E N 3.398 123.244 120.200 -0.590 0.000 2.266 165 E HA 0.715 5.078 4.350 0.022 0.000 0.268 165 E C -1.405 175.071 176.600 -0.206 0.000 0.879 165 E CA -0.802 55.398 56.400 -0.333 0.000 0.762 165 E CB 2.814 32.443 29.700 -0.119 0.000 1.199 165 E HN 0.438 nan 8.360 nan 0.000 0.422 166 I N 1.930 122.428 120.570 -0.120 0.000 2.447 166 I HA 0.398 4.581 4.170 0.022 0.000 0.287 166 I C -0.138 175.966 176.117 -0.022 0.000 1.023 166 I CA -1.124 60.125 61.300 -0.085 0.000 1.083 166 I CB 1.968 39.929 38.000 -0.064 0.000 1.245 166 I HN 0.785 nan 8.210 nan 0.000 0.434 167 A N 4.369 127.195 122.820 0.010 0.000 2.567 167 A HA 0.002 4.336 4.320 0.022 0.000 0.240 167 A C 1.472 179.095 177.584 0.064 0.000 1.053 167 A CA 0.033 52.112 52.037 0.070 0.000 0.755 167 A CB -0.032 19.052 19.000 0.140 0.000 0.978 167 A HN 1.132 nan 8.150 nan 0.000 0.507 168 C N 1.988 121.343 119.300 0.091 0.000 2.410 168 C HA -0.102 4.371 4.460 0.022 0.000 0.281 168 C C 1.696 176.731 174.990 0.076 0.000 1.318 168 C CA 0.906 59.992 59.018 0.112 0.000 1.776 168 C CB -1.356 26.500 27.740 0.194 0.000 1.942 168 C HN 0.903 nan 8.230 nan 0.000 0.508 169 N N 2.269 121.010 118.700 0.069 0.000 2.336 169 N HA 0.035 4.788 4.740 0.022 0.000 0.189 169 N C 1.114 176.650 175.510 0.042 0.000 1.113 169 N CA 0.824 53.905 53.050 0.052 0.000 0.858 169 N CB -0.713 37.805 38.487 0.051 0.000 0.970 169 N HN 0.854 nan 8.380 nan 0.000 0.471 170 I N -4.645 115.949 120.570 0.041 0.000 4.082 170 I HA 0.476 4.659 4.170 0.022 0.000 0.337 170 I C 1.630 177.760 176.117 0.022 0.000 1.352 170 I CA -0.352 60.965 61.300 0.028 0.000 1.097 170 I CB 0.220 38.234 38.000 0.024 0.000 1.048 170 I HN -0.055 nan 8.210 nan 0.000 0.393 171 A N 1.163 123.999 122.820 0.027 0.000 2.024 171 A HA -0.090 4.244 4.320 0.022 0.000 0.220 171 A C 2.256 179.857 177.584 0.029 0.000 1.164 171 A CA 2.036 54.088 52.037 0.026 0.000 0.643 171 A CB -0.523 18.495 19.000 0.031 0.000 0.806 171 A HN 0.491 nan 8.150 nan 0.000 0.451 172 S N -0.929 114.788 115.700 0.027 0.000 2.540 172 S HA 0.327 4.810 4.470 0.022 0.000 0.218 172 S C 0.573 175.188 174.600 0.025 0.000 0.977 172 S CA -0.294 57.921 58.200 0.026 0.000 0.918 172 S CB -0.151 63.061 63.200 0.020 0.000 0.806 172 S HN 0.519 nan 8.310 nan 0.000 0.496 173 M N 2.671 122.286 119.600 0.025 0.000 2.242 173 M HA 0.278 4.771 4.480 0.022 0.000 0.344 173 M C -2.586 173.731 176.300 0.029 0.000 1.140 173 M CA -1.866 53.447 55.300 0.022 0.000 1.160 173 M CB 0.133 32.743 32.600 0.017 0.000 1.491 173 M HN -0.178 nan 8.290 nan 0.000 0.459 174 P HA 0.199 nan 4.420 nan 0.000 0.275 174 P C -1.097 176.225 177.300 0.037 0.000 1.228 174 P CA -0.529 62.599 63.100 0.045 0.000 0.786 174 P CB 0.523 32.245 31.700 0.037 0.000 0.927 175 C N -0.365 118.972 119.300 0.062 0.000 3.336 175 C HA 0.884 5.358 4.460 0.022 0.000 0.339 175 C C 0.202 175.236 174.990 0.073 0.000 1.468 175 C CA -1.088 57.943 59.018 0.020 0.000 1.287 175 C CB 0.955 28.657 27.740 -0.063 0.000 1.682 175 C HN 0.662 nan 8.230 nan 0.000 0.451 176 A N 0.590 123.425 122.820 0.026 0.000 2.409 176 A HA 0.598 4.931 4.320 0.022 0.000 0.246 176 A C 0.539 178.230 177.584 0.179 0.000 1.099 176 A CA 0.532 52.615 52.037 0.077 0.000 0.789 176 A CB -0.521 18.500 19.000 0.034 0.000 1.053 176 A HN 2.417 nan 8.150 nan 0.000 0.503 177 A N 0.682 123.580 122.820 0.131 0.000 2.295 177 A HA 0.725 5.059 4.320 0.022 0.000 0.318 177 A C -2.547 174.961 177.584 -0.127 0.000 1.134 177 A CA -1.680 50.311 52.037 -0.077 0.000 0.827 177 A CB -0.049 18.967 19.000 0.027 0.000 1.136 177 A HN 0.629 nan 8.150 nan 0.000 0.493 178 P HA 0.345 nan 4.420 nan 0.000 0.276 178 P C 0.514 177.664 177.300 -0.251 0.000 1.230 178 P CA 0.131 62.923 63.100 -0.512 0.000 0.776 178 P CB 0.974 32.123 31.700 -0.918 0.000 0.888 179 G N 3.486 112.212 108.800 -0.123 0.000 2.489 179 G HA2 0.347 4.320 3.960 0.022 0.000 0.271 179 G HA3 0.347 4.320 3.960 0.022 0.000 0.271 179 G C -2.343 172.513 174.900 -0.073 0.000 1.427 179 G CA -1.104 43.955 45.100 -0.069 0.000 1.057 179 G HN 0.336 nan 8.290 nan 0.000 0.532 180 P HA 0.241 nan 4.420 nan 0.000 0.268 180 P C 0.633 177.933 177.300 0.001 0.000 1.205 180 P CA 0.387 63.478 63.100 -0.015 0.000 0.771 180 P CB 1.095 32.795 31.700 0.001 0.000 0.858 181 A N 2.988 125.820 122.820 0.019 0.000 1.986 181 A HA -0.216 4.118 4.320 0.022 0.000 0.220 181 A C 2.108 179.800 177.584 0.180 0.000 1.171 181 A CA 2.254 54.343 52.037 0.086 0.000 0.640 181 A CB -1.612 17.454 19.000 0.110 0.000 0.811 181 A HN 0.623 nan 8.150 nan 0.000 0.451 182 S N 0.092 115.867 115.700 0.125 0.000 2.419 182 S HA 0.021 4.505 4.470 0.022 0.000 0.233 182 S C 1.966 176.659 174.600 0.155 0.000 1.016 182 S CA 1.174 59.465 58.200 0.152 0.000 0.974 182 S CB -0.655 62.582 63.200 0.061 0.000 0.786 182 S HN 0.945 nan 8.310 nan 0.000 0.492 183 A N 1.820 124.691 122.820 0.085 0.000 2.019 183 A HA 0.153 4.486 4.320 0.022 0.000 0.219 183 A C 2.194 179.793 177.584 0.024 0.000 1.164 183 A CA 1.197 53.263 52.037 0.048 0.000 0.644 183 A CB -0.730 18.282 19.000 0.020 0.000 0.805 183 A HN 0.581 nan 8.150 nan 0.000 0.449 184 L N -2.536 118.687 121.223 0.000 0.000 2.240 184 L HA 0.002 4.355 4.340 0.022 0.000 0.211 184 L C 1.723 178.405 176.870 -0.313 0.000 1.106 184 L CA 0.724 55.450 54.840 -0.190 0.000 0.793 184 L CB -0.290 41.573 42.059 -0.326 0.000 0.927 184 L HN 0.397 nan 8.230 nan 0.000 0.446 185 F N -1.041 118.898 119.950 -0.018 0.000 2.749 185 F HA 0.107 4.649 4.527 0.025 0.000 0.300 185 F C 1.056 176.852 175.800 -0.008 0.000 1.103 185 F CA -0.667 57.323 58.000 -0.016 0.000 1.342 185 F CB -0.308 38.682 39.000 -0.017 0.000 1.098 185 F HN -0.016 nan 8.300 nan 0.000 0.586 186 N N 1.877 120.657 118.700 0.133 0.000 2.365 186 N HA -0.019 4.734 4.740 0.022 0.000 0.265 186 N C -0.884 174.663 175.510 0.062 0.000 1.288 186 N CA 0.602 53.703 53.050 0.085 0.000 0.869 186 N CB 0.074 38.595 38.487 0.056 0.000 1.071 186 N HN 0.069 nan 8.380 nan 0.000 0.480 187 D N 0.588 121.032 120.400 0.073 0.000 2.581 187 D HA 0.168 4.822 4.640 0.022 0.000 0.232 187 D C -0.958 175.395 176.300 0.088 0.000 1.143 187 D CA -0.639 53.407 54.000 0.078 0.000 0.881 187 D CB 1.066 41.922 40.800 0.094 0.000 1.500 187 D HN 0.597 nan 8.370 nan 0.000 0.458 188 E N 0.653 120.916 120.200 0.105 0.000 2.404 188 E HA 0.477 4.840 4.350 0.022 0.000 0.261 188 E C -0.717 175.918 176.600 0.059 0.000 1.074 188 E CA -0.759 55.689 56.400 0.080 0.000 0.917 188 E CB 0.973 30.721 29.700 0.080 0.000 0.965 188 E HN 0.337 nan 8.360 nan 0.000 0.433 189 A N 2.666 125.447 122.820 -0.064 0.000 2.252 189 A HA 0.362 4.695 4.320 0.022 0.000 0.305 189 A C -0.055 177.289 177.584 -0.399 0.000 1.097 189 A CA -0.696 51.213 52.037 -0.214 0.000 0.849 189 A CB 0.899 19.829 19.000 -0.116 0.000 1.142 189 A HN 0.666 nan 8.150 nan 0.000 0.499 190 S N 0.307 115.676 115.700 -0.551 0.000 2.563 190 S HA 0.095 4.579 4.470 0.022 0.000 0.284 190 S C 0.039 174.541 174.600 -0.165 0.000 1.331 190 S CA 0.140 58.109 58.200 -0.385 0.000 1.047 190 S CB 0.198 63.251 63.200 -0.246 0.000 0.859 190 S HN 0.742 nan 8.310 nan 0.000 0.514 191 D N 0.904 121.253 120.400 -0.085 0.000 2.371 191 D HA 0.100 4.754 4.640 0.022 0.000 0.256 191 D C 0.997 177.278 176.300 -0.032 0.000 1.193 191 D CA -0.067 53.911 54.000 -0.035 0.000 0.881 191 D CB 0.699 41.502 40.800 0.005 0.000 1.143 191 D HN 0.492 nan 8.370 nan 0.000 0.473 192 E N 3.558 123.740 120.200 -0.031 0.000 2.038 192 E HA -0.207 4.157 4.350 0.022 0.000 0.195 192 E C 1.846 178.434 176.600 -0.020 0.000 1.000 192 E CA 1.832 58.214 56.400 -0.029 0.000 0.803 192 E CB -0.345 29.340 29.700 -0.025 0.000 0.750 192 E HN 0.600 nan 8.360 nan 0.000 0.448 193 A N -0.222 122.596 122.820 -0.003 0.000 1.908 193 A HA -0.209 4.125 4.320 0.022 0.000 0.218 193 A C 2.433 180.023 177.584 0.011 0.000 1.181 193 A CA 2.130 54.172 52.037 0.009 0.000 0.627 193 A CB -0.773 18.243 19.000 0.027 0.000 0.818 193 A HN 0.293 nan 8.150 nan 0.000 0.445 194 S N -0.587 115.130 115.700 0.028 0.000 2.355 194 S HA -0.117 4.366 4.470 0.022 0.000 0.222 194 S C 1.871 176.409 174.600 -0.105 0.000 1.031 194 S CA 1.299 59.526 58.200 0.045 0.000 0.993 194 S CB -0.477 62.794 63.200 0.118 0.000 0.859 194 S HN 0.514 nan 8.310 nan 0.000 0.453 195 L N 3.063 124.247 121.223 -0.065 0.000 1.990 195 L HA -0.136 4.217 4.340 0.022 0.000 0.213 195 L C 1.709 178.517 176.870 -0.102 0.000 1.072 195 L CA 1.842 56.642 54.840 -0.068 0.000 0.755 195 L CB -1.086 40.949 42.059 -0.040 0.000 0.889 195 L HN 0.154 nan 8.230 nan 0.000 0.432 196 N N 0.050 118.697 118.700 -0.088 0.000 2.120 196 N HA -0.123 4.630 4.740 0.022 0.000 0.188 196 N C 1.799 177.232 175.510 -0.128 0.000 1.024 196 N CA 1.632 54.631 53.050 -0.084 0.000 0.852 196 N CB -0.458 38.000 38.487 -0.049 0.000 1.003 196 N HN 0.558 nan 8.380 nan 0.000 0.424 197 A N 0.846 123.559 122.820 -0.179 0.000 1.930 197 A HA 0.092 4.425 4.320 0.022 0.000 0.217 197 A C 2.337 179.574 177.584 -0.579 0.000 1.175 197 A CA 1.709 53.605 52.037 -0.236 0.000 0.627 197 A CB -0.667 18.296 19.000 -0.061 0.000 0.815 197 A HN 0.307 nan 8.150 nan 0.000 0.443 198 A N -0.581 121.691 122.820 -0.913 0.000 1.930 198 A HA 0.044 4.378 4.320 0.022 0.000 0.217 198 A C 2.195 179.659 177.584 -0.199 0.000 1.175 198 A CA 1.730 53.220 52.037 -0.911 0.000 0.627 198 A CB -0.721 17.871 19.000 -0.679 0.000 0.815 198 A HN 0.352 nan 8.150 nan 0.000 0.443 199 V N 0.970 120.815 119.914 -0.114 0.000 2.323 199 V HA -0.246 3.887 4.120 0.022 0.000 0.244 199 V C 2.422 178.489 176.094 -0.046 0.000 1.041 199 V CA 2.119 64.378 62.300 -0.069 0.000 1.025 199 V CB -0.981 30.773 31.823 -0.115 0.000 0.656 199 V HN 0.851 nan 8.190 nan 0.000 0.451 200 E N -0.031 120.136 120.200 -0.055 0.000 2.204 200 E HA -0.207 4.156 4.350 0.022 0.000 0.195 200 E C 1.874 178.494 176.600 0.033 0.000 0.990 200 E CA 1.129 57.524 56.400 -0.008 0.000 0.821 200 E CB -0.228 29.470 29.700 -0.003 0.000 0.750 200 E HN 0.529 nan 8.360 nan 0.000 0.477 201 E N 0.817 121.035 120.200 0.030 0.000 2.158 201 E HA -0.056 4.308 4.350 0.022 0.000 0.191 201 E C 2.107 178.798 176.600 0.151 0.000 0.982 201 E CA 1.148 57.616 56.400 0.113 0.000 0.823 201 E CB -0.137 29.666 29.700 0.173 0.000 0.766 201 E HN 0.294 nan 8.360 nan 0.000 0.468 202 T N 2.052 116.678 114.554 0.119 0.000 2.777 202 T HA -0.064 4.299 4.350 0.022 0.000 0.266 202 T C 2.161 176.973 174.700 0.186 0.000 1.040 202 T CA 0.720 62.920 62.100 0.166 0.000 1.141 202 T CB -0.183 68.773 68.868 0.146 0.000 0.868 202 T HN 0.080 nan 8.240 nan 0.000 0.444 203 L N 0.390 121.682 121.223 0.115 0.000 2.017 203 L HA -0.115 4.238 4.340 0.022 0.000 0.208 203 L C 2.660 179.595 176.870 0.107 0.000 1.073 203 L CA 1.450 56.348 54.840 0.098 0.000 0.745 203 L CB -0.488 41.604 42.059 0.055 0.000 0.894 203 L HN 0.189 nan 8.230 nan 0.000 0.432 204 K N -0.513 119.955 120.400 0.115 0.000 2.063 204 K HA -0.223 4.110 4.320 0.022 0.000 0.208 204 K C 2.011 178.691 176.600 0.133 0.000 1.048 204 K CA 1.658 58.010 56.287 0.109 0.000 0.928 204 K CB -0.290 32.279 32.500 0.114 0.000 0.713 204 K HN 0.076 nan 8.250 nan 0.000 0.442 205 F N 1.579 121.561 119.950 0.053 0.000 2.134 205 F HA -0.098 4.443 4.527 0.023 0.000 0.299 205 F C 1.675 177.503 175.800 0.048 0.000 1.097 205 F CA 1.235 59.267 58.000 0.054 0.000 1.264 205 F CB 0.030 39.071 39.000 0.068 0.000 1.001 205 F HN -0.025 nan 8.300 nan 0.000 0.479 206 I N -2.125 118.521 120.570 0.127 0.000 3.793 206 I HA 0.335 4.519 4.170 0.022 0.000 0.315 206 I C 1.937 178.049 176.117 -0.008 0.000 1.275 206 I CA 0.625 61.947 61.300 0.036 0.000 1.214 206 I CB -0.857 37.230 38.000 0.145 0.000 1.018 206 I HN 0.048 nan 8.210 nan 0.000 0.439 207 A N 2.672 125.487 122.820 -0.009 0.000 1.884 207 A HA -0.194 4.139 4.320 0.022 0.000 0.219 207 A C 1.569 179.135 177.584 -0.031 0.000 1.197 207 A CA 1.900 53.932 52.037 -0.009 0.000 0.637 207 A CB -0.672 18.327 19.000 -0.003 0.000 0.827 207 A HN 0.675 nan 8.150 nan 0.000 0.450 208 N N -0.073 118.587 118.700 -0.066 0.000 2.610 208 N HA 0.221 4.974 4.740 0.022 0.000 0.309 208 N C -0.996 174.457 175.510 -0.096 0.000 1.536 208 N CA -0.019 52.992 53.050 -0.066 0.000 0.954 208 N CB 0.666 39.118 38.487 -0.057 0.000 1.310 208 N HN 0.379 nan 8.380 nan 0.000 0.502 209 R N 0.411 120.853 120.500 -0.096 0.000 2.467 209 R HA 0.117 4.471 4.340 0.022 0.000 0.299 209 R C -0.137 176.139 176.300 -0.041 0.000 1.120 209 R CA -0.414 55.630 56.100 -0.094 0.000 0.940 209 R CB 1.478 31.683 30.300 -0.159 0.000 1.161 209 R HN 0.016 nan 8.270 nan 0.000 0.506 210 D N 2.019 122.403 120.400 -0.027 0.000 2.213 210 D HA -0.035 4.619 4.640 0.022 0.000 0.205 210 D C -0.240 176.062 176.300 0.004 0.000 0.961 210 D CA 0.887 54.883 54.000 -0.005 0.000 0.853 210 D CB 0.596 41.397 40.800 0.003 0.000 0.967 210 D HN 0.201 nan 8.370 nan 0.000 0.496 211 K N 0.817 121.212 120.400 -0.008 0.000 2.150 211 K HA 0.250 4.584 4.320 0.022 0.000 0.261 211 K C -0.907 175.695 176.600 0.003 0.000 1.127 211 K CA -0.294 55.989 56.287 -0.007 0.000 0.989 211 K CB 1.649 34.114 32.500 -0.058 0.000 1.475 211 K HN -0.057 nan 8.250 nan 0.000 0.391 212 V N 2.335 122.263 119.914 0.022 0.000 2.394 212 V HA 0.412 4.545 4.120 0.022 0.000 0.282 212 V C 0.132 176.247 176.094 0.034 0.000 1.031 212 V CA -0.793 61.535 62.300 0.046 0.000 0.881 212 V CB 1.232 33.093 31.823 0.063 0.000 0.982 212 V HN 0.731 nan 8.190 nan 0.000 0.451 213 A N 4.834 127.681 122.820 0.045 0.000 2.337 213 A HA 0.856 5.189 4.320 0.022 0.000 0.329 213 A C -0.735 176.876 177.584 0.045 0.000 1.146 213 A CA -0.575 51.476 52.037 0.023 0.000 0.800 213 A CB 1.636 20.644 19.000 0.013 0.000 1.220 213 A HN 0.618 nan 8.150 nan 0.000 0.472 214 V N 2.622 122.540 119.914 0.007 0.000 2.398 214 V HA 0.388 4.522 4.120 0.022 0.000 0.286 214 V C -0.690 175.386 176.094 -0.030 0.000 1.026 214 V CA -0.392 61.925 62.300 0.028 0.000 0.868 214 V CB 1.192 33.028 31.823 0.023 0.000 0.982 214 V HN 0.745 nan 8.190 nan 0.000 0.443 215 L N 6.884 128.114 121.223 0.012 0.000 2.294 215 L HA 0.559 4.913 4.340 0.022 0.000 0.283 215 L C -0.281 176.576 176.870 -0.022 0.000 1.015 215 L CA 0.082 54.919 54.840 -0.005 0.000 0.831 215 L CB 1.536 43.630 42.059 0.060 0.000 1.217 215 L HN 0.443 nan 8.230 nan 0.000 0.420 216 V N 5.336 125.215 119.914 -0.058 0.000 2.488 216 V HA 0.598 4.731 4.120 0.022 0.000 0.277 216 V C 0.975 177.042 176.094 -0.045 0.000 1.046 216 V CA 0.056 62.341 62.300 -0.027 0.000 0.986 216 V CB 0.736 32.555 31.823 -0.007 0.000 0.989 216 V HN 0.895 nan 8.190 nan 0.000 0.475 217 G N 2.600 111.380 108.800 -0.033 0.000 2.491 217 G HA2 0.439 4.412 3.960 0.022 0.000 0.327 217 G HA3 0.439 4.412 3.960 0.022 0.000 0.327 217 G C 0.777 175.680 174.900 0.005 0.000 1.189 217 G CA 0.141 45.181 45.100 -0.101 0.000 0.956 217 G HN 0.807 nan 8.290 nan 0.000 0.491 218 S N -1.075 114.581 115.700 -0.074 0.000 2.607 218 S HA 0.051 4.534 4.470 0.022 0.000 0.224 218 S C 1.226 175.930 174.600 0.174 0.000 0.969 218 S CA 0.316 58.538 58.200 0.037 0.000 0.927 218 S CB 0.044 63.154 63.200 -0.149 0.000 0.772 218 S HN 0.512 nan 8.310 nan 0.000 0.533 219 K N 0.202 120.635 120.400 0.056 0.000 2.397 219 K HA 0.349 4.682 4.320 0.022 0.000 0.202 219 K C 1.121 177.708 176.600 -0.021 0.000 1.022 219 K CA -0.197 56.094 56.287 0.007 0.000 1.141 219 K CB 0.082 32.551 32.500 -0.052 0.000 0.857 219 K HN 0.175 nan 8.250 nan 0.000 0.514 220 L N 1.508 122.749 121.223 0.029 0.000 2.046 220 L HA -0.133 4.220 4.340 0.022 0.000 0.208 220 L C 2.315 179.062 176.870 -0.204 0.000 1.077 220 L CA 1.767 56.581 54.840 -0.044 0.000 0.747 220 L CB -0.220 41.873 42.059 0.058 0.000 0.896 220 L HN 0.108 nan 8.230 nan 0.000 0.432 221 R N -0.770 119.453 120.500 -0.461 0.000 2.092 221 R HA -0.121 4.232 4.340 0.022 0.000 0.231 221 R C 2.140 178.294 176.300 -0.242 0.000 1.119 221 R CA 1.254 57.061 56.100 -0.488 0.000 0.970 221 R CB -0.351 29.475 30.300 -0.791 0.000 0.864 221 R HN 0.448 nan 8.270 nan 0.000 0.440 222 A N 0.491 123.207 122.820 -0.174 0.000 2.019 222 A HA -0.051 4.283 4.320 0.022 0.000 0.219 222 A C 2.149 179.666 177.584 -0.112 0.000 1.164 222 A CA 1.541 53.506 52.037 -0.120 0.000 0.644 222 A CB -0.503 18.436 19.000 -0.102 0.000 0.805 222 A HN 0.515 nan 8.150 nan 0.000 0.449 223 A N -1.533 121.222 122.820 -0.109 0.000 2.238 223 A HA 0.410 4.744 4.320 0.022 0.000 0.208 223 A C 1.747 179.288 177.584 -0.072 0.000 1.177 223 A CA 1.090 53.073 52.037 -0.091 0.000 0.804 223 A CB -1.010 17.946 19.000 -0.072 0.000 0.823 223 A HN 1.845 nan 8.150 nan 0.000 0.482 224 G N -1.695 107.050 108.800 -0.091 0.000 2.249 224 G HA2 -0.018 3.955 3.960 0.022 0.000 0.273 224 G HA3 -0.018 3.955 3.960 0.022 0.000 0.273 224 G C 0.628 175.495 174.900 -0.055 0.000 1.036 224 G CA 0.448 45.503 45.100 -0.076 0.000 0.824 224 G HN 1.571 nan 8.290 nan 0.000 0.504 225 A N -1.107 121.678 122.820 -0.059 0.000 2.564 225 A HA 0.606 4.940 4.320 0.022 0.000 0.279 225 A C 1.429 179.011 177.584 -0.002 0.000 1.232 225 A CA 1.035 53.063 52.037 -0.016 0.000 0.950 225 A CB 0.179 19.182 19.000 0.004 0.000 1.138 225 A HN 0.484 nan 8.150 nan 0.000 0.526 226 E N 0.281 120.455 120.200 -0.043 0.000 2.058 226 E HA -0.242 4.122 4.350 0.022 0.000 0.194 226 E C 1.786 178.390 176.600 0.006 0.000 0.997 226 E CA 1.542 57.931 56.400 -0.019 0.000 0.801 226 E CB 0.006 29.653 29.700 -0.089 0.000 0.746 226 E HN 0.792 nan 8.360 nan 0.000 0.450 227 E N 0.342 120.532 120.200 -0.017 0.000 2.072 227 E HA -0.165 4.199 4.350 0.022 0.000 0.191 227 E C 2.025 178.639 176.600 0.023 0.000 0.985 227 E CA 0.875 57.266 56.400 -0.015 0.000 0.801 227 E CB -0.054 29.630 29.700 -0.026 0.000 0.750 227 E HN 0.218 nan 8.360 nan 0.000 0.452 228 A N 0.982 123.824 122.820 0.036 0.000 2.019 228 A HA -0.050 4.284 4.320 0.022 0.000 0.219 228 A C 2.282 179.943 177.584 0.127 0.000 1.164 228 A CA 1.518 53.592 52.037 0.062 0.000 0.644 228 A CB -0.499 18.526 19.000 0.043 0.000 0.805 228 A HN 0.396 nan 8.150 nan 0.000 0.449 229 A N -0.558 122.355 122.820 0.156 0.000 1.929 229 A HA 0.075 4.408 4.320 0.022 0.000 0.216 229 A C 2.163 179.968 177.584 0.368 0.000 1.176 229 A CA 1.552 53.755 52.037 0.278 0.000 0.628 229 A CB -0.691 18.485 19.000 0.295 0.000 0.816 229 A HN 0.343 nan 8.150 nan 0.000 0.444 230 V N 0.204 120.255 119.914 0.228 0.000 2.358 230 V HA -0.258 3.875 4.120 0.022 0.000 0.246 230 V C 2.431 178.599 176.094 0.124 0.000 1.047 230 V CA 2.250 64.631 62.300 0.134 0.000 1.035 230 V CB -0.666 31.108 31.823 -0.083 0.000 0.658 230 V HN 0.515 nan 8.190 nan 0.000 0.452 231 K N -0.648 119.813 120.400 0.101 0.000 2.032 231 K HA -0.218 4.115 4.320 0.022 0.000 0.209 231 K C 2.117 178.778 176.600 0.102 0.000 1.048 231 K CA 2.059 58.394 56.287 0.080 0.000 0.927 231 K CB -0.363 32.177 32.500 0.067 0.000 0.712 231 K HN 0.475 nan 8.250 nan 0.000 0.441 232 F N 1.372 121.330 119.950 0.014 0.000 2.146 232 F HA -0.111 4.430 4.527 0.023 0.000 0.298 232 F C 2.052 177.840 175.800 -0.021 0.000 1.096 232 F CA 1.217 59.207 58.000 -0.017 0.000 1.275 232 F CB -0.368 38.616 39.000 -0.026 0.000 1.008 232 F HN -0.050 nan 8.300 nan 0.000 0.480 233 A N 0.071 122.815 122.820 -0.126 0.000 1.930 233 A HA -0.151 4.182 4.320 0.022 0.000 0.217 233 A C 1.962 179.283 177.584 -0.438 0.000 1.175 233 A CA 1.845 53.712 52.037 -0.283 0.000 0.627 233 A CB -0.950 18.148 19.000 0.163 0.000 0.815 233 A HN 0.432 nan 8.150 nan 0.000 0.443 234 D N 0.167 120.459 120.400 -0.181 0.000 2.117 234 D HA -0.033 4.621 4.640 0.022 0.000 0.198 234 D C 2.235 178.433 176.300 -0.170 0.000 0.982 234 D CA 1.477 55.413 54.000 -0.107 0.000 0.828 234 D CB -0.414 40.422 40.800 0.061 0.000 0.967 234 D HN 0.416 nan 8.370 nan 0.000 0.464 235 A N 0.711 123.420 122.820 -0.184 0.000 1.873 235 A HA -0.123 4.211 4.320 0.022 0.000 0.215 235 A C 2.188 179.626 177.584 -0.243 0.000 1.186 235 A CA 0.966 52.907 52.037 -0.161 0.000 0.616 235 A CB -0.746 18.191 19.000 -0.105 0.000 0.823 235 A HN 0.235 nan 8.150 nan 0.000 0.442 236 L N -0.495 120.456 121.223 -0.454 0.000 2.056 236 L HA 0.112 4.465 4.340 0.022 0.000 0.207 236 L C 1.712 178.397 176.870 -0.309 0.000 1.078 236 L CA 2.064 56.637 54.840 -0.444 0.000 0.749 236 L CB -0.698 40.908 42.059 -0.756 0.000 0.901 236 L HN 0.790 nan 8.230 nan 0.000 0.433 237 G N -1.266 107.277 108.800 -0.429 0.000 2.198 237 G HA2 -0.227 3.747 3.960 0.022 0.000 0.260 237 G HA3 -0.227 3.747 3.960 0.022 0.000 0.260 237 G C 0.591 175.409 174.900 -0.136 0.000 1.025 237 G CA 0.323 45.246 45.100 -0.295 0.000 0.769 237 G HN 0.868 nan 8.290 nan 0.000 0.507 238 G N -0.933 107.732 108.800 -0.226 0.000 2.557 238 G HA2 0.824 4.798 3.960 0.022 0.000 0.302 238 G HA3 0.824 4.798 3.960 0.022 0.000 0.302 238 G C 0.354 175.240 174.900 -0.024 0.000 1.311 238 G CA 0.121 45.171 45.100 -0.083 0.000 1.030 238 G HN 1.509 nan 8.290 nan 0.000 0.509 239 A N -0.981 121.835 122.820 -0.007 0.000 2.366 239 A HA 0.569 4.902 4.320 0.022 0.000 0.272 239 A C -0.388 177.137 177.584 -0.098 0.000 1.135 239 A CA -0.264 51.749 52.037 -0.040 0.000 0.804 239 A CB 0.714 19.682 19.000 -0.053 0.000 1.064 239 A HN 0.792 nan 8.150 nan 0.000 0.499 240 V N 1.977 121.809 119.914 -0.137 0.000 2.409 240 V HA 0.681 4.815 4.120 0.022 0.000 0.291 240 V C 0.384 176.331 176.094 -0.245 0.000 1.020 240 V CA -0.148 62.010 62.300 -0.235 0.000 0.848 240 V CB 1.091 32.629 31.823 -0.474 0.000 0.990 240 V HN 1.203 nan 8.190 nan 0.000 0.430 241 A N 3.297 125.987 122.820 -0.217 0.000 2.380 241 A HA 0.932 5.265 4.320 0.022 0.000 0.315 241 A C 0.066 177.600 177.584 -0.083 0.000 1.101 241 A CA -0.548 51.365 52.037 -0.206 0.000 0.771 241 A CB 1.732 20.609 19.000 -0.205 0.000 1.287 241 A HN 0.874 nan 8.150 nan 0.000 0.436 242 T N 0.059 114.617 114.554 0.006 0.000 2.867 242 T HA 0.633 4.997 4.350 0.022 0.000 0.282 242 T C 0.293 174.913 174.700 -0.133 0.000 1.000 242 T CA -0.559 61.524 62.100 -0.030 0.000 1.042 242 T CB 0.566 69.453 68.868 0.031 0.000 0.973 242 T HN 0.544 nan 8.240 nan 0.000 0.465 243 M N 2.040 121.528 119.600 -0.186 0.000 2.226 243 M HA 0.341 4.835 4.480 0.022 0.000 0.324 243 M C 1.934 177.948 176.300 -0.478 0.000 1.112 243 M CA -0.563 54.557 55.300 -0.298 0.000 1.176 243 M CB 0.415 32.835 32.600 -0.300 0.000 1.430 243 M HN 0.952 nan 8.290 nan 0.000 0.462 244 A N 1.745 124.080 122.820 -0.808 0.000 1.892 244 A HA -0.167 4.166 4.320 0.022 0.000 0.218 244 A C 2.060 179.095 177.584 -0.914 0.000 1.188 244 A CA 2.408 53.776 52.037 -1.115 0.000 0.631 244 A CB -1.087 16.478 19.000 -2.392 0.000 0.822 244 A HN 0.953 nan 8.150 nan 0.000 0.447 245 A N -1.251 121.049 122.820 -0.866 0.000 2.206 245 A HA 0.450 4.784 4.320 0.022 0.000 0.211 245 A C 1.854 179.084 177.584 -0.589 0.000 1.158 245 A CA 1.267 52.883 52.037 -0.702 0.000 0.761 245 A CB -0.514 18.122 19.000 -0.607 0.000 0.801 245 A HN 1.095 nan 8.150 nan 0.000 0.473 246 A N -0.664 121.801 122.820 -0.592 0.000 2.387 246 A HA 0.349 4.682 4.320 0.022 0.000 0.234 246 A C 0.857 178.037 177.584 -0.673 0.000 1.253 246 A CA -0.142 51.427 52.037 -0.780 0.000 0.894 246 A CB -0.311 18.496 19.000 -0.321 0.000 0.963 246 A HN 0.282 nan 8.150 nan 0.000 0.508 247 K N 1.410 121.547 120.400 -0.438 0.000 2.473 247 K HA 0.133 4.467 4.320 0.022 0.000 0.277 247 K C 1.000 177.441 176.600 -0.263 0.000 1.052 247 K CA 1.252 57.394 56.287 -0.243 0.000 1.114 247 K CB -0.174 32.274 32.500 -0.087 0.000 0.869 247 K HN 1.070 nan 8.250 nan 0.000 0.481 248 S N 2.680 118.311 115.700 -0.115 0.000 2.659 248 S HA -0.141 4.343 4.470 0.022 0.000 0.264 248 S C 0.609 175.348 174.600 0.232 0.000 1.310 248 S CA 0.693 58.895 58.200 0.004 0.000 1.262 248 S CB -2.169 61.029 63.200 -0.002 0.000 1.548 248 S HN 0.502 nan 8.310 nan 0.000 0.657 249 F N 1.206 121.137 119.950 -0.032 0.000 2.811 249 F HA 0.628 5.168 4.527 0.021 0.000 0.301 249 F C 0.658 176.505 175.800 0.079 0.000 1.151 249 F CA -0.705 57.297 58.000 0.003 0.000 1.412 249 F CB -0.291 38.710 39.000 0.002 0.000 1.113 249 F HN 0.499 nan 8.300 nan 0.000 0.579 250 F N 0.550 120.516 119.950 0.026 0.000 2.608 250 F HA 0.526 5.066 4.527 0.022 0.000 0.309 250 F C -2.752 172.918 175.800 -0.218 0.000 1.103 250 F CA -2.883 55.071 58.000 -0.076 0.000 0.954 250 F CB 1.572 40.529 39.000 -0.071 0.000 1.267 250 F HN -0.314 nan 8.300 nan 0.000 0.444 251 P HA 0.157 nan 4.420 nan 0.000 0.266 251 P C -0.359 176.706 177.300 -0.391 0.000 1.215 251 P CA 0.291 63.113 63.100 -0.464 0.000 0.763 251 P CB 0.581 31.985 31.700 -0.493 0.000 0.806 252 E N 1.636 121.646 120.200 -0.316 0.000 2.478 252 E HA -0.072 4.291 4.350 0.022 0.000 0.194 252 E C 0.676 177.300 176.600 0.039 0.000 1.045 252 E CA 0.501 56.729 56.400 -0.287 0.000 0.868 252 E CB 0.160 29.755 29.700 -0.175 0.000 0.885 252 E HN 0.618 nan 8.360 nan 0.000 0.505 253 E N 0.829 121.020 120.200 -0.015 0.000 2.472 253 E HA 0.014 4.378 4.350 0.022 0.000 0.196 253 E C 0.459 177.075 176.600 0.026 0.000 1.033 253 E CA -0.278 56.138 56.400 0.027 0.000 0.886 253 E CB 0.261 29.958 29.700 -0.004 0.000 0.944 253 E HN 0.075 nan 8.360 nan 0.000 0.492 254 N N 1.854 120.563 118.700 0.015 0.000 2.454 254 N HA -0.024 4.729 4.740 0.022 0.000 0.260 254 N C -1.895 173.664 175.510 0.081 0.000 1.218 254 N CA -1.119 51.955 53.050 0.039 0.000 0.904 254 N CB 1.098 39.613 38.487 0.047 0.000 1.065 254 N HN -0.168 nan 8.380 nan 0.000 0.462 255 P HA -0.093 nan 4.420 nan 0.000 0.223 255 P C 0.372 177.555 177.300 -0.195 0.000 1.144 255 P CA 1.278 64.267 63.100 -0.185 0.000 0.783 255 P CB 0.076 31.561 31.700 -0.358 0.000 0.771 256 H N -3.844 115.330 119.070 0.174 0.000 2.553 256 H HA 0.078 4.647 4.556 0.022 0.000 0.265 256 H C 0.320 175.724 175.328 0.125 0.000 0.964 256 H CA -0.164 55.964 56.048 0.133 0.000 1.156 256 H CB -0.371 29.467 29.762 0.128 0.000 1.411 256 H HN 0.172 nan 8.280 nan 0.000 0.558 257 Y N 2.767 123.170 120.300 0.172 0.000 2.402 257 Y HA 0.078 4.641 4.550 0.022 0.000 0.333 257 Y C 1.418 177.275 175.900 -0.071 0.000 1.076 257 Y CA -0.672 57.478 58.100 0.084 0.000 1.299 257 Y CB 0.295 38.888 38.460 0.221 0.000 1.197 257 Y HN 0.105 nan 8.280 nan 0.000 0.517 258 I N 2.705 122.823 120.570 -0.754 0.000 4.018 258 I HA 0.623 4.807 4.170 0.022 0.000 0.337 258 I C 0.794 176.420 176.117 -0.818 0.000 1.327 258 I CA 0.478 61.240 61.300 -0.896 0.000 1.100 258 I CB -0.019 37.153 38.000 -1.379 0.000 1.025 258 I HN 0.777 nan 8.210 nan 0.000 0.396 259 G N 1.205 109.134 108.800 -1.452 0.000 2.396 259 G HA2 -0.130 3.844 3.960 0.022 0.000 0.254 259 G HA3 -0.130 3.844 3.960 0.022 0.000 0.254 259 G C -0.518 173.853 174.900 -0.882 0.000 1.248 259 G CA -0.352 44.017 45.100 -1.219 0.000 1.033 259 G HN 0.154 nan 8.290 nan 0.000 0.502 260 T N 0.754 114.709 114.554 -0.998 0.000 2.851 260 T HA 0.507 4.871 4.350 0.022 0.000 0.298 260 T C 0.553 175.185 174.700 -0.113 0.000 0.977 260 T CA 0.941 62.793 62.100 -0.414 0.000 1.126 260 T CB 1.302 70.013 68.868 -0.261 0.000 0.916 260 T HN 1.175 nan 8.240 nan 0.000 0.529 261 S N 3.435 119.103 115.700 -0.052 0.000 2.423 261 S HA 0.430 4.914 4.470 0.022 0.000 0.317 261 S C -1.204 173.504 174.600 0.180 0.000 1.065 261 S CA -0.691 57.548 58.200 0.065 0.000 1.111 261 S CB 0.022 63.239 63.200 0.028 0.000 0.968 261 S HN 0.755 nan 8.310 nan 0.000 0.474 262 W N 5.650 126.974 121.300 0.040 0.000 1.267 262 W HA 0.413 5.086 4.660 0.022 0.000 0.314 262 W C 0.583 177.171 176.519 0.114 0.000 0.896 262 W CA -0.430 56.950 57.345 0.060 0.000 1.521 262 W CB 0.026 29.502 29.460 0.026 0.000 1.654 262 W HN 1.077 nan 8.180 nan 0.000 0.454 263 G N 2.515 111.503 108.800 0.313 0.000 2.634 263 G HA2 -0.430 3.544 3.960 0.022 0.000 0.309 263 G HA3 -0.430 3.544 3.960 0.022 0.000 0.309 263 G C 1.072 176.056 174.900 0.141 0.000 1.265 263 G CA 1.196 46.413 45.100 0.195 0.000 0.998 263 G HN 0.600 nan 8.290 nan 0.000 0.551 264 E N 0.338 120.589 120.200 0.085 0.000 2.511 264 E HA 0.166 4.530 4.350 0.022 0.000 0.196 264 E C 1.742 178.369 176.600 0.046 0.000 1.066 264 E CA 1.264 57.700 56.400 0.060 0.000 0.871 264 E CB -0.074 29.645 29.700 0.031 0.000 0.863 264 E HN 1.237 nan 8.360 nan 0.000 0.520 265 V N -1.593 118.343 119.914 0.037 0.000 3.043 265 V HA 0.297 4.431 4.120 0.022 0.000 0.357 265 V C 0.239 176.450 176.094 0.195 0.000 1.372 265 V CA -0.805 61.519 62.300 0.040 0.000 1.214 265 V CB 0.100 31.851 31.823 -0.121 0.000 1.224 265 V HN 0.027 nan 8.190 nan 0.000 0.507 266 S N 0.513 116.350 115.700 0.228 0.000 2.589 266 S HA 0.486 4.970 4.470 0.022 0.000 0.265 266 S C -0.131 174.682 174.600 0.354 0.000 1.342 266 S CA -0.111 58.267 58.200 0.296 0.000 1.005 266 S CB 0.308 63.643 63.200 0.226 0.000 0.909 266 S HN 0.477 nan 8.310 nan 0.000 0.555 267 Y N 1.753 122.124 120.300 0.119 0.000 2.511 267 Y HA 0.166 4.729 4.550 0.023 0.000 0.347 267 Y C -1.916 174.059 175.900 0.125 0.000 1.257 267 Y CA -1.869 56.295 58.100 0.106 0.000 1.469 267 Y CB -0.810 37.694 38.460 0.074 0.000 1.353 267 Y HN 0.394 nan 8.280 nan 0.000 0.617 268 P HA 0.096 nan 4.420 nan 0.000 0.261 268 P C 0.677 178.124 177.300 0.246 0.000 1.183 268 P CA 1.843 65.036 63.100 0.155 0.000 0.761 268 P CB 0.327 32.069 31.700 0.070 0.000 0.785 269 G N 1.635 110.557 108.800 0.204 0.000 2.268 269 G HA2 -0.319 3.655 3.960 0.022 0.000 0.240 269 G HA3 -0.319 3.655 3.960 0.022 0.000 0.240 269 G C 1.024 176.169 174.900 0.409 0.000 1.010 269 G CA 0.256 45.506 45.100 0.250 0.000 0.618 269 G HN 0.392 nan 8.290 nan 0.000 0.516 270 V N 0.991 121.121 119.914 0.361 0.000 2.358 270 V HA -0.060 4.073 4.120 0.022 0.000 0.246 270 V C 2.422 178.631 176.094 0.191 0.000 1.047 270 V CA 2.798 65.237 62.300 0.231 0.000 1.035 270 V CB -0.308 31.585 31.823 0.116 0.000 0.658 270 V HN 0.607 nan 8.190 nan 0.000 0.452 271 E N 0.387 120.698 120.200 0.185 0.000 2.058 271 E HA -0.265 4.099 4.350 0.022 0.000 0.194 271 E C 2.290 178.984 176.600 0.156 0.000 0.997 271 E CA 1.509 58.001 56.400 0.153 0.000 0.801 271 E CB -0.028 29.756 29.700 0.139 0.000 0.746 271 E HN 0.567 nan 8.360 nan 0.000 0.450 272 K N -0.396 120.123 120.400 0.198 0.000 2.026 272 K HA -0.102 4.232 4.320 0.022 0.000 0.208 272 K C 2.258 179.015 176.600 0.261 0.000 1.048 272 K CA 1.763 58.194 56.287 0.240 0.000 0.929 272 K CB -0.205 32.479 32.500 0.307 0.000 0.713 272 K HN 0.139 nan 8.250 nan 0.000 0.439 273 T N 1.572 116.341 114.554 0.357 0.000 2.720 273 T HA -0.142 4.221 4.350 0.022 0.000 0.268 273 T C 1.825 176.557 174.700 0.054 0.000 1.037 273 T CA 1.260 63.531 62.100 0.285 0.000 1.144 273 T CB -0.056 69.045 68.868 0.389 0.000 0.864 273 T HN 0.105 nan 8.240 nan 0.000 0.444 274 M N 0.922 120.568 119.600 0.075 0.000 2.175 274 M HA 0.039 4.533 4.480 0.022 0.000 0.264 274 M C 2.247 178.554 176.300 0.012 0.000 1.063 274 M CA 1.264 56.587 55.300 0.039 0.000 1.119 274 M CB -0.924 31.713 32.600 0.062 0.000 1.377 274 M HN 0.193 nan 8.290 nan 0.000 0.415 275 K N 0.235 120.647 120.400 0.020 0.000 2.148 275 K HA -0.144 4.190 4.320 0.022 0.000 0.204 275 K C 1.574 178.135 176.600 -0.065 0.000 1.050 275 K CA 0.989 57.276 56.287 0.001 0.000 0.942 275 K CB 0.274 32.794 32.500 0.033 0.000 0.724 275 K HN 0.175 nan 8.250 nan 0.000 0.446 276 E N 0.330 120.430 120.200 -0.168 0.000 2.318 276 E HA 0.049 4.413 4.350 0.022 0.000 0.193 276 E C 0.249 176.684 176.600 -0.274 0.000 0.998 276 E CA 0.149 56.349 56.400 -0.333 0.000 0.859 276 E CB 0.049 29.218 29.700 -0.885 0.000 0.812 276 E HN 0.283 nan 8.360 nan 0.000 0.492 277 A N 1.938 124.648 122.820 -0.182 0.000 2.561 277 A HA -0.061 4.273 4.320 0.022 0.000 0.234 277 A C 0.728 178.275 177.584 -0.061 0.000 1.055 277 A CA 0.204 52.179 52.037 -0.103 0.000 0.756 277 A CB 0.238 19.218 19.000 -0.034 0.000 0.986 277 A HN -0.052 nan 8.150 nan 0.000 0.505 278 D N 0.644 121.016 120.400 -0.046 0.000 2.249 278 D HA 0.243 4.897 4.640 0.022 0.000 0.205 278 D C 0.616 176.926 176.300 0.017 0.000 0.962 278 D CA 1.724 55.704 54.000 -0.034 0.000 0.860 278 D CB 0.138 40.904 40.800 -0.057 0.000 0.955 278 D HN 0.706 nan 8.370 nan 0.000 0.505 279 A N 0.361 123.220 122.820 0.066 0.000 2.488 279 A HA 0.539 4.872 4.320 0.022 0.000 0.298 279 A C -1.103 176.570 177.584 0.149 0.000 1.044 279 A CA -0.559 51.589 52.037 0.185 0.000 0.693 279 A CB 2.006 21.160 19.000 0.257 0.000 1.272 279 A HN -0.098 nan 8.150 nan 0.000 0.402 280 V N 3.454 123.463 119.914 0.159 0.000 2.409 280 V HA 0.376 4.510 4.120 0.022 0.000 0.291 280 V C -0.384 175.788 176.094 0.130 0.000 1.020 280 V CA -0.188 62.184 62.300 0.120 0.000 0.848 280 V CB 1.377 33.257 31.823 0.095 0.000 0.990 280 V HN 0.725 nan 8.190 nan 0.000 0.430 281 I N 4.640 125.293 120.570 0.138 0.000 2.291 281 I HA 0.513 4.697 4.170 0.022 0.000 0.290 281 I C 0.659 176.841 176.117 0.109 0.000 1.050 281 I CA -0.235 61.146 61.300 0.135 0.000 1.245 281 I CB 1.225 39.345 38.000 0.199 0.000 1.405 281 I HN 0.659 nan 8.210 nan 0.000 0.478 282 A N 8.333 131.211 122.820 0.096 0.000 2.269 282 A HA 0.604 4.938 4.320 0.022 0.000 0.302 282 A C -0.186 177.420 177.584 0.036 0.000 1.266 282 A CA -0.451 51.641 52.037 0.091 0.000 0.894 282 A CB 0.164 19.277 19.000 0.189 0.000 1.147 282 A HN 0.742 nan 8.150 nan 0.000 0.537 283 L N 2.844 124.078 121.223 0.019 0.000 2.270 283 L HA 0.460 4.813 4.340 0.022 0.000 0.286 283 L C 1.042 177.897 176.870 -0.025 0.000 1.059 283 L CA 0.021 54.865 54.840 0.008 0.000 0.839 283 L CB 0.612 42.696 42.059 0.042 0.000 1.221 283 L HN 1.060 nan 8.230 nan 0.000 0.431 284 A N 3.682 126.472 122.820 -0.050 0.000 2.519 284 A HA -0.120 4.213 4.320 0.022 0.000 0.297 284 A C -2.337 175.168 177.584 -0.132 0.000 1.472 284 A CA -0.304 51.688 52.037 -0.074 0.000 0.739 284 A CB -1.745 17.225 19.000 -0.049 0.000 1.096 284 A HN 0.482 nan 8.150 nan 0.000 0.414 285 P HA 0.550 nan 4.420 nan 0.000 0.282 285 P C -0.437 176.562 177.300 -0.501 0.000 1.259 285 P CA -0.377 62.440 63.100 -0.472 0.000 0.826 285 P CB 1.773 32.972 31.700 -0.834 0.000 1.064 286 V N 2.974 122.578 119.914 -0.516 0.000 2.326 286 V HA 0.262 4.396 4.120 0.022 0.000 0.281 286 V C -0.417 175.462 176.094 -0.357 0.000 1.015 286 V CA -0.320 61.779 62.300 -0.334 0.000 0.823 286 V CB 0.131 31.846 31.823 -0.179 0.000 1.009 286 V HN 0.313 nan 8.190 nan 0.000 0.436 287 F N 5.610 125.584 119.950 0.041 0.000 2.368 287 F HA 0.476 5.016 4.527 0.022 0.000 0.362 287 F C 0.668 176.535 175.800 0.111 0.000 1.137 287 F CA -0.687 57.359 58.000 0.078 0.000 1.161 287 F CB 0.406 39.487 39.000 0.135 0.000 1.265 287 F HN 0.683 nan 8.300 nan 0.000 0.530 288 N N 0.278 119.061 118.700 0.137 0.000 3.002 288 N HA 0.233 4.986 4.740 0.022 0.000 0.331 288 N C 0.489 175.713 175.510 -0.477 0.000 1.384 288 N CA -0.726 52.323 53.050 -0.002 0.000 0.780 288 N CB 0.256 38.748 38.487 0.007 0.000 1.492 288 N HN 0.245 nan 8.380 nan 0.000 0.608 289 D N -1.567 118.456 120.400 -0.629 0.000 2.269 289 D HA -0.163 4.490 4.640 0.022 0.000 0.208 289 D C 0.919 177.069 176.300 -0.251 0.000 0.963 289 D CA 1.256 54.628 54.000 -1.046 0.000 0.864 289 D CB -0.349 40.114 40.800 -0.562 0.000 0.936 289 D HN 0.425 nan 8.370 nan 0.000 0.505 290 Y N 1.724 121.959 120.300 -0.108 0.000 2.269 290 Y HA -0.017 4.549 4.550 0.025 0.000 0.294 290 Y C 2.886 179.059 175.900 0.456 0.000 1.120 290 Y CA 0.707 58.991 58.100 0.307 0.000 1.159 290 Y CB -0.727 37.986 38.460 0.421 0.000 1.024 290 Y HN 0.127 nan 8.280 nan 0.000 0.532 291 S N -1.177 114.715 115.700 0.320 0.000 2.489 291 S HA -0.076 4.408 4.470 0.022 0.000 0.228 291 S C 1.522 176.304 174.600 0.304 0.000 0.995 291 S CA 1.063 59.378 58.200 0.191 0.000 0.934 291 S CB -0.930 62.241 63.200 -0.048 0.000 0.771 291 S HN 0.463 nan 8.310 nan 0.000 0.522 292 T N -1.779 112.901 114.554 0.209 0.000 3.163 292 T HA 0.234 4.598 4.350 0.022 0.000 0.252 292 T C 0.337 175.137 174.700 0.166 0.000 1.056 292 T CA 0.311 62.526 62.100 0.191 0.000 0.947 292 T CB -0.804 68.135 68.868 0.117 0.000 1.016 292 T HN 0.305 nan 8.240 nan 0.000 0.554 293 T N 1.796 116.504 114.554 0.255 0.000 3.580 293 T HA -0.057 4.307 4.350 0.022 0.000 0.402 293 T C 1.231 175.877 174.700 -0.091 0.000 0.765 293 T CA 0.813 62.981 62.100 0.115 0.000 2.064 293 T CB -2.215 66.728 68.868 0.124 0.000 1.724 293 T HN 1.731 nan 8.240 nan 0.000 0.719 294 G N 0.618 109.284 108.800 -0.224 0.000 2.221 294 G HA2 -0.286 3.688 3.960 0.022 0.000 0.265 294 G HA3 -0.286 3.688 3.960 0.022 0.000 0.265 294 G C 0.473 175.335 174.900 -0.063 0.000 1.041 294 G CA 0.658 45.608 45.100 -0.250 0.000 0.807 294 G HN 1.390 nan 8.290 nan 0.000 0.502 295 W N -2.967 118.382 121.300 0.081 0.000 3.456 295 W HA -0.327 4.345 4.660 0.020 0.000 0.314 295 W C 1.906 178.451 176.519 0.043 0.000 1.192 295 W CA 1.385 58.767 57.345 0.062 0.000 0.654 295 W CB -2.299 27.184 29.460 0.038 0.000 2.251 295 W HN 0.993 nan 8.180 nan 0.000 1.360 296 T N -4.081 110.583 114.554 0.183 0.000 3.035 296 T HA 0.016 4.380 4.350 0.022 0.000 0.259 296 T C 0.501 175.276 174.700 0.125 0.000 1.078 296 T CA 1.197 63.375 62.100 0.129 0.000 1.132 296 T CB 0.233 69.145 68.868 0.074 0.000 0.900 296 T HN 0.086 nan 8.240 nan 0.000 0.480 297 D N 0.721 121.209 120.400 0.147 0.000 2.432 297 D HA 0.412 5.066 4.640 0.022 0.000 0.265 297 D C -1.008 175.370 176.300 0.130 0.000 1.160 297 D CA -0.688 53.395 54.000 0.139 0.000 0.911 297 D CB -0.144 40.758 40.800 0.170 0.000 1.052 297 D HN 0.408 nan 8.370 nan 0.000 0.508 298 I N 3.239 123.857 120.570 0.080 0.000 2.404 298 I HA 0.379 4.562 4.170 0.022 0.000 0.293 298 I C -1.818 174.248 176.117 -0.086 0.000 0.992 298 I CA -2.145 59.148 61.300 -0.012 0.000 1.149 298 I CB 1.762 39.781 38.000 0.031 0.000 1.315 298 I HN 0.173 nan 8.210 nan 0.000 0.446 299 P HA 0.024 nan 4.420 nan 0.000 0.268 299 P C -0.637 176.600 177.300 -0.105 0.000 1.205 299 P CA -0.262 62.749 63.100 -0.147 0.000 0.771 299 P CB 0.384 31.944 31.700 -0.233 0.000 0.858 300 D N 3.832 124.209 120.400 -0.038 0.000 2.412 300 D HA -0.006 4.647 4.640 0.022 0.000 0.257 300 D C -1.421 174.872 176.300 -0.012 0.000 1.217 300 D CA -1.606 52.385 54.000 -0.016 0.000 0.897 300 D CB 0.590 41.397 40.800 0.010 0.000 1.132 300 D HN 0.135 nan 8.370 nan 0.000 0.493 301 P HA -0.138 nan 4.420 nan 0.000 0.218 301 P C 0.733 178.046 177.300 0.022 0.000 1.148 301 P CA 1.233 64.321 63.100 -0.019 0.000 0.822 301 P CB 0.296 31.981 31.700 -0.025 0.000 0.784 302 K N -0.507 119.924 120.400 0.050 0.000 2.365 302 K HA -0.014 4.320 4.320 0.022 0.000 0.199 302 K C 1.570 178.296 176.600 0.210 0.000 1.045 302 K CA 0.987 57.339 56.287 0.107 0.000 0.962 302 K CB -0.221 32.325 32.500 0.077 0.000 0.759 302 K HN 0.179 nan 8.250 nan 0.000 0.469 303 K N -0.203 120.298 120.400 0.168 0.000 2.358 303 K HA 0.154 4.488 4.320 0.022 0.000 0.200 303 K C -0.404 176.334 176.600 0.230 0.000 1.030 303 K CA -0.280 56.153 56.287 0.244 0.000 1.097 303 K CB 0.429 33.006 32.500 0.127 0.000 0.862 303 K HN -0.044 nan 8.250 nan 0.000 0.534 304 L N 1.746 123.021 121.223 0.087 0.000 2.276 304 L HA 0.215 4.568 4.340 0.022 0.000 0.286 304 L C -0.764 176.027 176.870 -0.131 0.000 1.061 304 L CA -0.403 54.441 54.840 0.007 0.000 0.807 304 L CB 1.339 43.394 42.059 -0.008 0.000 1.177 304 L HN -0.256 nan 8.230 nan 0.000 0.429 305 V N 6.695 126.554 119.914 -0.092 0.000 2.350 305 V HA 0.286 4.419 4.120 0.022 0.000 0.276 305 V C -0.244 175.821 176.094 -0.048 0.000 1.028 305 V CA -0.543 61.672 62.300 -0.142 0.000 0.860 305 V CB 1.292 33.072 31.823 -0.072 0.000 0.990 305 V HN 0.573 nan 8.190 nan 0.000 0.453 306 L N 5.947 127.130 121.223 -0.067 0.000 2.272 306 L HA 0.689 5.042 4.340 0.022 0.000 0.284 306 L C 0.544 177.358 176.870 -0.093 0.000 1.045 306 L CA -0.092 54.733 54.840 -0.025 0.000 0.842 306 L CB 0.785 42.846 42.059 0.004 0.000 1.224 306 L HN 0.680 nan 8.230 nan 0.000 0.430 307 A N 5.144 127.903 122.820 -0.102 0.000 2.540 307 A HA 0.539 4.873 4.320 0.022 0.000 0.340 307 A C 0.111 177.618 177.584 -0.128 0.000 1.424 307 A CA -0.649 51.265 52.037 -0.205 0.000 0.940 307 A CB -0.215 18.664 19.000 -0.202 0.000 1.149 307 A HN 0.627 nan 8.150 nan 0.000 0.505 308 E N 2.229 122.358 120.200 -0.119 0.000 2.342 308 E HA 0.165 4.529 4.350 0.022 0.000 0.257 308 E C -1.632 174.914 176.600 -0.089 0.000 1.150 308 E CA -1.871 54.478 56.400 -0.085 0.000 0.926 308 E CB 0.193 29.855 29.700 -0.064 0.000 1.074 308 E HN 0.244 nan 8.360 nan 0.000 0.449 309 P HA -0.084 nan 4.420 nan 0.000 0.218 309 P C 0.573 177.807 177.300 -0.111 0.000 1.148 309 P CA 1.584 64.628 63.100 -0.094 0.000 0.822 309 P CB 0.279 31.912 31.700 -0.111 0.000 0.784 310 R N -1.593 118.848 120.500 -0.098 0.000 2.566 310 R HA 0.281 4.634 4.340 0.022 0.000 0.388 310 R C -0.021 176.278 176.300 -0.001 0.000 0.989 310 R CA 0.104 56.160 56.100 -0.072 0.000 1.164 310 R CB 0.685 30.905 30.300 -0.132 0.000 1.459 310 R HN 0.185 nan 8.270 nan 0.000 0.553 311 S N -1.421 114.256 115.700 -0.038 0.000 2.588 311 S HA 0.564 5.048 4.470 0.022 0.000 0.269 311 S C -0.993 173.545 174.600 -0.105 0.000 1.157 311 S CA -0.784 57.398 58.200 -0.030 0.000 0.824 311 S CB 2.338 65.532 63.200 -0.011 0.000 1.126 311 S HN -0.138 nan 8.310 nan 0.000 0.464 312 V N 1.262 121.126 119.914 -0.083 0.000 2.638 312 V HA 0.620 4.754 4.120 0.022 0.000 0.306 312 V C -0.892 175.205 176.094 0.005 0.000 1.052 312 V CA -0.672 61.527 62.300 -0.168 0.000 0.885 312 V CB 1.813 33.378 31.823 -0.430 0.000 0.999 312 V HN 0.865 nan 8.190 nan 0.000 0.424 313 V N 5.120 125.006 119.914 -0.047 0.000 2.357 313 V HA 0.678 4.811 4.120 0.022 0.000 0.284 313 V C -0.383 175.673 176.094 -0.062 0.000 1.018 313 V CA -0.498 61.782 62.300 -0.034 0.000 0.841 313 V CB 1.642 33.431 31.823 -0.056 0.000 0.991 313 V HN 0.641 nan 8.190 nan 0.000 0.437 314 V N 5.235 125.139 119.914 -0.016 0.000 2.777 314 V HA 0.566 4.700 4.120 0.022 0.000 0.306 314 V C 0.244 176.290 176.094 -0.079 0.000 1.112 314 V CA -0.371 61.859 62.300 -0.116 0.000 0.917 314 V CB 1.897 33.702 31.823 -0.029 0.000 1.018 314 V HN 0.938 nan 8.190 nan 0.000 0.426 315 N N 4.252 122.796 118.700 -0.260 0.000 2.747 315 N HA -0.158 4.596 4.740 0.022 0.000 0.249 315 N C 0.848 176.375 175.510 0.028 0.000 1.107 315 N CA 2.026 55.076 53.050 0.001 0.000 0.707 315 N CB -1.170 37.417 38.487 0.168 0.000 1.054 315 N HN 2.307 nan 8.380 nan 0.000 0.555 316 G N -1.200 107.580 108.800 -0.034 0.000 2.160 316 G HA2 -0.277 3.697 3.960 0.022 0.000 0.251 316 G HA3 -0.277 3.697 3.960 0.022 0.000 0.251 316 G C 0.035 174.892 174.900 -0.073 0.000 1.008 316 G CA 0.516 45.595 45.100 -0.034 0.000 0.724 316 G HN 0.563 nan 8.290 nan 0.000 0.514 317 I N -0.684 119.820 120.570 -0.109 0.000 2.582 317 I HA 0.475 4.659 4.170 0.022 0.000 0.292 317 I C 0.303 176.191 176.117 -0.381 0.000 1.066 317 I CA -1.103 60.031 61.300 -0.277 0.000 1.053 317 I CB 2.098 39.884 38.000 -0.357 0.000 1.241 317 I HN 0.109 nan 8.210 nan 0.000 0.421 318 R N 5.132 125.375 120.500 -0.428 0.000 2.312 318 R HA 0.535 4.888 4.340 0.022 0.000 0.311 318 R C -1.728 174.277 176.300 -0.491 0.000 1.004 318 R CA -0.304 55.603 56.100 -0.323 0.000 0.902 318 R CB 0.745 30.940 30.300 -0.175 0.000 1.073 318 R HN 0.424 nan 8.270 nan 0.000 0.457 319 F N 6.904 126.818 119.950 -0.061 0.000 2.443 319 F HA 0.361 4.901 4.527 0.022 0.000 0.369 319 F C -1.817 173.954 175.800 -0.049 0.000 1.090 319 F CA -2.235 55.735 58.000 -0.050 0.000 1.129 319 F CB 1.350 40.315 39.000 -0.058 0.000 1.367 319 F HN 0.401 nan 8.300 nan 0.000 0.465 320 P HA 0.077 nan 4.420 nan 0.000 0.273 320 P C 0.164 177.520 177.300 0.093 0.000 1.250 320 P CA 0.076 63.214 63.100 0.064 0.000 0.793 320 P CB 1.095 32.814 31.700 0.031 0.000 1.011 321 S N -2.694 113.064 115.700 0.096 0.000 3.586 321 S HA -0.090 4.394 4.470 0.022 0.000 0.309 321 S C 0.047 174.716 174.600 0.115 0.000 1.195 321 S CA 0.670 58.942 58.200 0.120 0.000 0.895 321 S CB -1.971 61.273 63.200 0.073 0.000 0.983 321 S HN 0.414 nan 8.310 nan 0.000 0.563 322 V N 2.513 122.510 119.914 0.137 0.000 2.326 322 V HA 0.298 4.431 4.120 0.022 0.000 0.281 322 V C 0.386 176.591 176.094 0.185 0.000 1.015 322 V CA -0.629 61.728 62.300 0.096 0.000 0.823 322 V CB 0.921 32.754 31.823 0.015 0.000 1.009 322 V HN 0.495 nan 8.190 nan 0.000 0.436 323 H N 4.035 123.102 119.070 -0.006 0.000 2.722 323 H HA 0.107 4.676 4.556 0.023 0.000 0.328 323 H C 0.898 176.233 175.328 0.011 0.000 1.067 323 H CA -0.807 55.237 56.048 -0.008 0.000 1.447 323 H CB 1.902 31.662 29.762 -0.002 0.000 1.469 323 H HN 0.526 nan 8.280 nan 0.000 0.544 324 L N 4.228 125.508 121.223 0.095 0.000 2.081 324 L HA -0.240 4.113 4.340 0.022 0.000 0.212 324 L C 2.345 179.285 176.870 0.115 0.000 1.080 324 L CA 1.838 56.726 54.840 0.080 0.000 0.754 324 L CB -0.535 41.533 42.059 0.015 0.000 0.893 324 L HN 0.609 nan 8.230 nan 0.000 0.433 325 K N -0.924 119.529 120.400 0.089 0.000 2.057 325 K HA -0.196 4.138 4.320 0.022 0.000 0.207 325 K C 1.682 178.318 176.600 0.059 0.000 1.049 325 K CA 1.830 58.155 56.287 0.064 0.000 0.931 325 K CB -0.165 32.366 32.500 0.052 0.000 0.714 325 K HN 0.405 nan 8.250 nan 0.000 0.440 326 D N -0.334 120.113 120.400 0.078 0.000 2.117 326 D HA -0.170 4.484 4.640 0.022 0.000 0.198 326 D C 1.756 178.079 176.300 0.040 0.000 0.982 326 D CA 0.937 54.961 54.000 0.040 0.000 0.828 326 D CB -0.412 40.399 40.800 0.018 0.000 0.967 326 D HN 0.298 nan 8.370 nan 0.000 0.464 327 Y N 1.676 121.942 120.300 -0.058 0.000 2.145 327 Y HA -0.163 4.401 4.550 0.023 0.000 0.286 327 Y C 2.197 178.014 175.900 -0.138 0.000 1.145 327 Y CA 1.358 59.396 58.100 -0.104 0.000 1.148 327 Y CB -0.463 37.931 38.460 -0.111 0.000 0.981 327 Y HN -0.119 nan 8.280 nan 0.000 0.507 328 L N -0.892 120.243 121.223 -0.146 0.000 2.046 328 L HA -0.225 4.128 4.340 0.022 0.000 0.208 328 L C 2.372 179.159 176.870 -0.139 0.000 1.077 328 L CA 1.803 56.483 54.840 -0.266 0.000 0.747 328 L CB -0.870 41.147 42.059 -0.071 0.000 0.896 328 L HN 0.226 nan 8.230 nan 0.000 0.432 329 T N -0.989 113.528 114.554 -0.062 0.000 2.737 329 T HA -0.217 4.146 4.350 0.022 0.000 0.265 329 T C 2.023 176.694 174.700 -0.048 0.000 1.038 329 T CA 1.403 63.488 62.100 -0.025 0.000 1.144 329 T CB -0.154 68.708 68.868 -0.011 0.000 0.866 329 T HN 0.124 nan 8.240 nan 0.000 0.434 330 R N 0.773 121.221 120.500 -0.086 0.000 2.096 330 R HA 0.033 4.387 4.340 0.022 0.000 0.235 330 R C 2.146 178.376 176.300 -0.117 0.000 1.127 330 R CA 1.057 57.103 56.100 -0.091 0.000 0.968 330 R CB -0.956 29.288 30.300 -0.093 0.000 0.861 330 R HN 0.267 nan 8.270 nan 0.000 0.440 331 L N 0.084 121.174 121.223 -0.222 0.000 2.093 331 L HA 0.100 4.454 4.340 0.022 0.000 0.208 331 L C 2.025 178.919 176.870 0.041 0.000 1.085 331 L CA 2.048 56.767 54.840 -0.202 0.000 0.755 331 L CB -0.875 40.849 42.059 -0.558 0.000 0.904 331 L HN 0.279 nan 8.230 nan 0.000 0.435 332 A N -1.414 121.466 122.820 0.099 0.000 2.019 332 A HA -0.223 4.110 4.320 0.022 0.000 0.219 332 A C 2.139 179.751 177.584 0.047 0.000 1.164 332 A CA 1.570 53.691 52.037 0.140 0.000 0.644 332 A CB -0.435 18.642 19.000 0.128 0.000 0.805 332 A HN 0.646 nan 8.150 nan 0.000 0.449 333 Q N -0.854 118.956 119.800 0.016 0.000 2.311 333 Q HA 0.004 4.358 4.340 0.022 0.000 0.203 333 Q C 1.392 177.392 176.000 0.001 0.000 0.954 333 Q CA 1.135 56.940 55.803 0.002 0.000 0.885 333 Q CB 0.080 28.813 28.738 -0.009 0.000 0.963 333 Q HN 0.615 nan 8.270 nan 0.000 0.471 334 K N -0.545 119.856 120.400 0.003 0.000 2.425 334 K HA 0.179 4.512 4.320 0.022 0.000 0.201 334 K C 0.235 176.843 176.600 0.014 0.000 1.128 334 K CA -0.084 56.203 56.287 0.001 0.000 1.000 334 K CB 1.225 33.718 32.500 -0.012 0.000 0.961 334 K HN -0.051 nan 8.250 nan 0.000 0.555 335 V N 2.431 122.365 119.914 0.033 0.000 3.051 335 V HA 0.067 4.201 4.120 0.022 0.000 0.306 335 V C 0.111 176.209 176.094 0.008 0.000 1.083 335 V CA -0.038 62.287 62.300 0.042 0.000 1.104 335 V CB 1.417 33.299 31.823 0.098 0.000 1.027 335 V HN 0.403 nan 8.190 nan 0.000 0.483 336 S N 4.413 120.115 115.700 0.005 0.000 2.747 336 S HA 0.622 5.105 4.470 0.022 0.000 0.300 336 S C -0.539 174.045 174.600 -0.027 0.000 1.121 336 S CA -0.907 57.288 58.200 -0.009 0.000 0.995 336 S CB 1.247 64.447 63.200 0.001 0.000 1.113 336 S HN 0.633 nan 8.310 nan 0.000 0.547 337 K N 1.521 121.905 120.400 -0.026 0.000 2.447 337 K HA 0.194 4.527 4.320 0.022 0.000 0.281 337 K C -0.456 176.131 176.600 -0.022 0.000 1.031 337 K CA 0.541 56.808 56.287 -0.033 0.000 1.019 337 K CB 0.153 32.647 32.500 -0.011 0.000 0.918 337 K HN 0.392 nan 8.250 nan 0.000 0.476 338 K N 2.952 123.330 120.400 -0.036 0.000 2.687 338 K HA 0.088 4.421 4.320 0.022 0.000 0.197 338 K C 0.080 176.677 176.600 -0.005 0.000 1.049 338 K CA -0.150 56.129 56.287 -0.013 0.000 1.030 338 K CB 0.980 33.474 32.500 -0.009 0.000 1.261 338 K HN 0.723 nan 8.250 nan 0.000 0.565 339 T N -2.898 111.667 114.554 0.019 0.000 3.148 339 T HA -0.015 4.349 4.350 0.022 0.000 0.253 339 T C 1.833 176.578 174.700 0.075 0.000 1.134 339 T CA 0.647 62.777 62.100 0.050 0.000 1.051 339 T CB 0.148 69.054 68.868 0.064 0.000 0.959 339 T HN 0.412 nan 8.240 nan 0.000 0.525 340 G N 1.992 110.828 108.800 0.061 0.000 2.574 340 G HA2 -0.198 3.775 3.960 0.022 0.000 0.220 340 G HA3 -0.198 3.775 3.960 0.022 0.000 0.220 340 G C 1.806 176.781 174.900 0.124 0.000 1.173 340 G CA 0.999 46.147 45.100 0.078 0.000 0.772 340 G HN 0.747 nan 8.290 nan 0.000 0.585 341 A N -0.202 122.677 122.820 0.098 0.000 1.929 341 A HA 0.237 4.571 4.320 0.022 0.000 0.216 341 A C 2.342 180.067 177.584 0.234 0.000 1.176 341 A CA 1.565 53.681 52.037 0.132 0.000 0.628 341 A CB -0.325 18.709 19.000 0.056 0.000 0.816 341 A HN 0.445 nan 8.150 nan 0.000 0.444 342 L N 0.103 121.433 121.223 0.178 0.000 2.056 342 L HA -0.123 4.230 4.340 0.022 0.000 0.207 342 L C 1.543 178.570 176.870 0.262 0.000 1.078 342 L CA 2.282 57.251 54.840 0.216 0.000 0.749 342 L CB -0.593 41.569 42.059 0.171 0.000 0.901 342 L HN 0.310 nan 8.230 nan 0.000 0.433 343 D N -0.882 119.641 120.400 0.204 0.000 2.117 343 D HA -0.248 4.406 4.640 0.022 0.000 0.197 343 D C 2.040 178.447 176.300 0.178 0.000 0.987 343 D CA 1.584 55.682 54.000 0.163 0.000 0.829 343 D CB -0.382 40.495 40.800 0.127 0.000 0.961 343 D HN 0.410 nan 8.370 nan 0.000 0.460 344 F N 0.761 120.768 119.950 0.095 0.000 2.095 344 F HA -0.242 4.299 4.527 0.023 0.000 0.298 344 F C 2.145 178.008 175.800 0.105 0.000 1.104 344 F CA 1.160 59.210 58.000 0.084 0.000 1.232 344 F CB -0.365 38.686 39.000 0.084 0.000 0.987 344 F HN -0.103 nan 8.300 nan 0.000 0.475 345 F N 1.505 121.570 119.950 0.193 0.000 2.069 345 F HA -0.207 4.333 4.527 0.023 0.000 0.298 345 F C 2.277 178.053 175.800 -0.040 0.000 1.113 345 F CA 2.195 60.243 58.000 0.079 0.000 1.214 345 F CB -0.696 38.376 39.000 0.119 0.000 0.978 345 F HN -0.133 nan 8.300 nan 0.000 0.474 346 K N 0.040 120.413 120.400 -0.045 0.000 2.063 346 K HA -0.178 4.156 4.320 0.022 0.000 0.208 346 K C 2.261 178.723 176.600 -0.230 0.000 1.048 346 K CA 1.703 57.895 56.287 -0.158 0.000 0.928 346 K CB -0.512 32.001 32.500 0.023 0.000 0.713 346 K HN 0.426 nan 8.250 nan 0.000 0.442 347 S N 0.847 116.422 115.700 -0.209 0.000 2.507 347 S HA -0.028 4.456 4.470 0.022 0.000 0.235 347 S C 1.775 176.189 174.600 -0.311 0.000 0.988 347 S CA 0.577 58.642 58.200 -0.225 0.000 0.944 347 S CB -0.311 62.770 63.200 -0.197 0.000 0.762 347 S HN 0.206 nan 8.310 nan 0.000 0.526 348 L N 0.621 121.594 121.223 -0.417 0.000 2.313 348 L HA 0.081 4.434 4.340 0.022 0.000 0.214 348 L C 0.468 177.169 176.870 -0.281 0.000 1.119 348 L CA 0.171 54.780 54.840 -0.385 0.000 0.809 348 L CB -0.806 41.001 42.059 -0.421 0.000 0.933 348 L HN 0.257 nan 8.230 nan 0.000 0.449 349 N N -0.068 118.459 118.700 -0.289 0.000 2.716 349 N HA -0.236 4.517 4.740 0.022 0.000 0.250 349 N C 0.889 176.284 175.510 -0.192 0.000 1.033 349 N CA 0.851 53.774 53.050 -0.212 0.000 0.727 349 N CB -0.769 37.633 38.487 -0.143 0.000 0.950 349 N HN 0.428 nan 8.380 nan 0.000 0.541 350 A N -0.458 122.209 122.820 -0.257 0.000 2.167 350 A HA 0.428 4.762 4.320 0.022 0.000 0.214 350 A C 1.495 179.015 177.584 -0.107 0.000 1.151 350 A CA 1.501 53.438 52.037 -0.168 0.000 0.735 350 A CB -0.199 18.699 19.000 -0.170 0.000 0.802 350 A HN 1.320 nan 8.150 nan 0.000 0.467 351 G N -0.973 107.756 108.800 -0.120 0.000 2.760 351 G HA2 -0.098 3.875 3.960 0.022 0.000 0.246 351 G HA3 -0.098 3.875 3.960 0.022 0.000 0.246 351 G C -0.376 174.520 174.900 -0.007 0.000 1.359 351 G CA -0.001 45.065 45.100 -0.057 0.000 0.861 351 G HN 0.582 nan 8.290 nan 0.000 0.541 352 E N -1.474 118.729 120.200 0.007 0.000 2.322 352 E HA 0.599 4.963 4.350 0.022 0.000 0.257 352 E C 0.570 177.153 176.600 -0.028 0.000 1.155 352 E CA -0.771 55.645 56.400 0.027 0.000 0.936 352 E CB 0.839 30.555 29.700 0.027 0.000 1.130 352 E HN 0.815 nan 8.360 nan 0.000 0.465 353 L N 2.437 123.603 121.223 -0.095 0.000 2.534 353 L HA 0.054 4.408 4.340 0.022 0.000 0.271 353 L C -0.039 176.765 176.870 -0.111 0.000 1.178 353 L CA 0.673 55.392 54.840 -0.202 0.000 0.907 353 L CB 0.087 41.866 42.059 -0.467 0.000 1.164 353 L HN 0.337 nan 8.230 nan 0.000 0.482 354 K N 6.047 126.397 120.400 -0.083 0.000 2.382 354 K HA 0.087 4.421 4.320 0.022 0.000 0.286 354 K C -0.662 175.909 176.600 -0.049 0.000 1.062 354 K CA 0.136 56.392 56.287 -0.051 0.000 1.000 354 K CB 0.173 32.650 32.500 -0.039 0.000 0.954 354 K HN 0.621 nan 8.250 nan 0.000 0.470 355 K N 2.188 122.567 120.400 -0.035 0.000 2.208 355 K HA 0.398 4.731 4.320 0.022 0.000 0.247 355 K C -0.565 176.026 176.600 -0.015 0.000 0.953 355 K CA -0.913 55.359 56.287 -0.025 0.000 0.837 355 K CB 1.867 34.355 32.500 -0.019 0.000 1.131 355 K HN 0.639 nan 8.250 nan 0.000 0.431 356 A N 1.276 124.089 122.820 -0.011 0.000 2.366 356 A HA 0.562 4.896 4.320 0.022 0.000 0.249 356 A C -0.198 177.384 177.584 -0.004 0.000 1.084 356 A CA -0.238 51.794 52.037 -0.007 0.000 0.794 356 A CB 0.383 19.380 19.000 -0.006 0.000 1.034 356 A HN 0.763 nan 8.150 nan 0.000 0.491 357 A N 1.664 124.483 122.820 -0.003 0.000 2.264 357 A HA 0.688 5.021 4.320 0.022 0.000 0.304 357 A C -2.361 175.224 177.584 0.002 0.000 1.100 357 A CA -1.682 50.355 52.037 -0.000 0.000 0.839 357 A CB -0.562 18.438 19.000 0.000 0.000 1.121 357 A HN 0.647 nan 8.150 nan 0.000 0.496 358 P HA 0.170 nan 4.420 nan 0.000 0.255 358 P C -0.098 177.206 177.300 0.006 0.000 1.161 358 P CA 0.770 63.873 63.100 0.005 0.000 0.768 358 P CB 0.128 31.832 31.700 0.007 0.000 0.746 359 A N 3.351 126.175 122.820 0.007 0.000 2.366 359 A HA 0.179 4.512 4.320 0.022 0.000 0.249 359 A C 0.390 177.980 177.584 0.009 0.000 1.084 359 A CA -0.391 51.651 52.037 0.008 0.000 0.794 359 A CB 0.020 19.025 19.000 0.010 0.000 1.034 359 A HN 0.504 nan 8.150 nan 0.000 0.491 360 D N 1.063 121.468 120.400 0.008 0.000 2.451 360 D HA 0.149 4.802 4.640 0.022 0.000 0.254 360 D C -1.552 174.755 176.300 0.011 0.000 1.204 360 D CA -1.200 52.805 54.000 0.008 0.000 0.896 360 D CB 0.696 41.500 40.800 0.006 0.000 1.136 360 D HN 0.107 nan 8.370 nan 0.000 0.499 361 P HA -0.158 nan 4.420 nan 0.000 0.217 361 P C 0.874 178.183 177.300 0.014 0.000 1.148 361 P CA 1.295 64.404 63.100 0.015 0.000 0.828 361 P CB 0.073 31.782 31.700 0.015 0.000 0.783 362 S N -2.322 113.384 115.700 0.010 0.000 2.575 362 S HA 0.363 4.846 4.470 0.022 0.000 0.215 362 S C 1.019 175.622 174.600 0.006 0.000 0.966 362 S CA -0.222 57.982 58.200 0.007 0.000 0.911 362 S CB -0.583 62.618 63.200 0.003 0.000 0.780 362 S HN 0.105 nan 8.310 nan 0.000 0.514 363 A N 2.876 125.701 122.820 0.008 0.000 2.407 363 A HA 0.577 4.910 4.320 0.022 0.000 0.248 363 A C -2.504 175.087 177.584 0.013 0.000 1.082 363 A CA -1.549 50.493 52.037 0.008 0.000 0.785 363 A CB -0.474 18.531 19.000 0.009 0.000 1.020 363 A HN 0.225 nan 8.150 nan 0.000 0.489 364 P HA 0.075 nan 4.420 nan 0.000 0.264 364 P C -0.291 177.027 177.300 0.030 0.000 1.183 364 P CA -0.071 63.040 63.100 0.018 0.000 0.763 364 P CB 0.224 31.934 31.700 0.016 0.000 0.807 365 L N 5.593 126.844 121.223 0.047 0.000 2.490 365 L HA 0.192 4.546 4.340 0.022 0.000 0.274 365 L C -0.105 176.796 176.870 0.052 0.000 1.201 365 L CA 0.299 55.173 54.840 0.056 0.000 0.869 365 L CB 0.140 42.252 42.059 0.087 0.000 1.123 365 L HN 0.220 nan 8.230 nan 0.000 0.484 366 V N 2.111 122.048 119.914 0.037 0.000 3.046 366 V HA 0.541 4.674 4.120 0.022 0.000 0.316 366 V C 0.805 176.913 176.094 0.023 0.000 1.104 366 V CA -0.528 61.790 62.300 0.030 0.000 1.006 366 V CB 1.540 33.375 31.823 0.020 0.000 1.058 366 V HN 0.800 nan 8.190 nan 0.000 0.440 367 N N 1.984 120.696 118.700 0.019 0.000 2.061 367 N HA -0.166 4.587 4.740 0.022 0.000 0.193 367 N C 1.687 177.199 175.510 0.005 0.000 1.030 367 N CA 2.621 55.679 53.050 0.013 0.000 0.856 367 N CB -0.297 38.199 38.487 0.015 0.000 1.023 367 N HN 1.010 nan 8.380 nan 0.000 0.424 368 A N -0.028 122.794 122.820 0.004 0.000 1.940 368 A HA -0.166 4.167 4.320 0.022 0.000 0.219 368 A C 2.155 179.734 177.584 -0.007 0.000 1.176 368 A CA 1.928 53.965 52.037 -0.000 0.000 0.631 368 A CB -0.823 18.177 19.000 -0.000 0.000 0.814 368 A HN 0.518 nan 8.150 nan 0.000 0.446 369 E N 0.368 120.566 120.200 -0.003 0.000 2.106 369 E HA -0.117 4.246 4.350 0.022 0.000 0.192 369 E C 1.687 178.275 176.600 -0.021 0.000 0.984 369 E CA 1.322 57.719 56.400 -0.004 0.000 0.806 369 E CB -0.397 29.308 29.700 0.009 0.000 0.750 369 E HN 0.652 nan 8.360 nan 0.000 0.458 370 I N 0.437 120.991 120.570 -0.027 0.000 2.142 370 I HA -0.283 3.901 4.170 0.022 0.000 0.240 370 I C 2.417 178.455 176.117 -0.131 0.000 1.078 370 I CA 1.164 62.419 61.300 -0.074 0.000 1.343 370 I CB -0.541 37.423 38.000 -0.059 0.000 1.046 370 I HN 0.202 nan 8.210 nan 0.000 0.405 371 A N 0.708 123.479 122.820 -0.081 0.000 1.940 371 A HA -0.255 4.078 4.320 0.022 0.000 0.219 371 A C 2.465 180.007 177.584 -0.069 0.000 1.176 371 A CA 1.806 53.799 52.037 -0.073 0.000 0.631 371 A CB -0.689 18.300 19.000 -0.018 0.000 0.814 371 A HN 0.367 nan 8.150 nan 0.000 0.446 372 R N -0.480 119.991 120.500 -0.048 0.000 2.073 372 R HA -0.166 4.188 4.340 0.022 0.000 0.234 372 R C 2.364 178.637 176.300 -0.046 0.000 1.134 372 R CA 1.830 57.910 56.100 -0.033 0.000 0.952 372 R CB -0.330 29.960 30.300 -0.017 0.000 0.850 372 R HN 0.696 nan 8.270 nan 0.000 0.433 373 Q N -0.244 119.518 119.800 -0.063 0.000 2.119 373 Q HA -0.106 4.248 4.340 0.022 0.000 0.201 373 Q C 2.210 178.147 176.000 -0.104 0.000 0.972 373 Q CA 1.539 57.307 55.803 -0.057 0.000 0.847 373 Q CB 0.068 28.786 28.738 -0.033 0.000 0.903 373 Q HN 0.227 nan 8.270 nan 0.000 0.433 374 V N 1.401 121.174 119.914 -0.234 0.000 2.343 374 V HA -0.273 3.861 4.120 0.022 0.000 0.247 374 V C 2.225 178.246 176.094 -0.121 0.000 1.051 374 V CA 2.115 64.232 62.300 -0.305 0.000 1.036 374 V CB -0.562 30.958 31.823 -0.505 0.000 0.654 374 V HN 0.428 nan 8.190 nan 0.000 0.451 375 E N 0.444 120.594 120.200 -0.083 0.000 2.110 375 E HA -0.222 4.142 4.350 0.022 0.000 0.193 375 E C 2.079 178.674 176.600 -0.008 0.000 0.988 375 E CA 1.321 57.704 56.400 -0.029 0.000 0.804 375 E CB -0.231 29.463 29.700 -0.010 0.000 0.745 375 E HN 0.580 nan 8.360 nan 0.000 0.458 376 A N 0.507 123.321 122.820 -0.010 0.000 2.172 376 A HA -0.029 4.305 4.320 0.022 0.000 0.216 376 A C 1.962 179.558 177.584 0.020 0.000 1.154 376 A CA 0.464 52.506 52.037 0.008 0.000 0.701 376 A CB -0.248 18.758 19.000 0.009 0.000 0.789 376 A HN 0.340 nan 8.150 nan 0.000 0.465 377 L N -0.319 120.917 121.223 0.021 0.000 2.509 377 L HA 0.171 4.524 4.340 0.022 0.000 0.222 377 L C 0.060 176.955 176.870 0.042 0.000 1.123 377 L CA -0.143 54.726 54.840 0.048 0.000 0.856 377 L CB -0.079 42.033 42.059 0.087 0.000 0.985 377 L HN 0.301 nan 8.230 nan 0.000 0.456 378 L N 0.881 122.119 121.223 0.026 0.000 2.477 378 L HA 0.102 4.456 4.340 0.022 0.000 0.272 378 L C 0.593 177.476 176.870 0.023 0.000 1.157 378 L CA 0.162 55.015 54.840 0.023 0.000 0.889 378 L CB 0.352 42.419 42.059 0.014 0.000 1.158 378 L HN 0.166 nan 8.230 nan 0.000 0.473 379 T N -0.182 114.386 114.554 0.023 0.000 2.907 379 T HA 0.439 4.802 4.350 0.022 0.000 0.290 379 T C -2.269 172.439 174.700 0.014 0.000 1.066 379 T CA -2.015 60.096 62.100 0.019 0.000 1.012 379 T CB 2.144 71.025 68.868 0.022 0.000 1.184 379 T HN 0.190 nan 8.240 nan 0.000 0.522 380 P HA 0.057 nan 4.420 nan 0.000 0.229 380 P C 0.619 177.924 177.300 0.008 0.000 1.150 380 P CA 0.767 63.869 63.100 0.002 0.000 0.765 380 P CB -0.044 31.654 31.700 -0.003 0.000 0.783 381 N N -1.750 116.959 118.700 0.016 0.000 2.214 381 N HA 0.039 4.793 4.740 0.022 0.000 0.214 381 N C -0.447 175.086 175.510 0.039 0.000 1.132 381 N CA 0.130 53.194 53.050 0.024 0.000 0.856 381 N CB 0.096 38.596 38.487 0.021 0.000 1.020 381 N HN -0.142 nan 8.380 nan 0.000 0.509 382 T N -0.386 114.189 114.554 0.036 0.000 2.902 382 T HA 0.441 4.804 4.350 0.022 0.000 0.283 382 T C -0.474 174.249 174.700 0.037 0.000 1.009 382 T CA -0.201 61.925 62.100 0.042 0.000 1.051 382 T CB 1.635 70.523 68.868 0.034 0.000 0.999 382 T HN -0.085 nan 8.240 nan 0.000 0.474 383 T N 2.149 116.724 114.554 0.035 0.000 2.841 383 T HA 0.488 4.852 4.350 0.022 0.000 0.285 383 T C -0.520 174.128 174.700 -0.087 0.000 0.991 383 T CA -0.519 61.556 62.100 -0.041 0.000 0.966 383 T CB 1.203 70.022 68.868 -0.081 0.000 0.962 383 T HN 0.326 nan 8.240 nan 0.000 0.438 384 V N 5.098 124.944 119.914 -0.113 0.000 2.350 384 V HA 0.393 4.527 4.120 0.022 0.000 0.276 384 V C -0.074 175.925 176.094 -0.158 0.000 1.028 384 V CA -0.935 61.306 62.300 -0.098 0.000 0.860 384 V CB 1.017 32.793 31.823 -0.078 0.000 0.990 384 V HN 0.725 nan 8.190 nan 0.000 0.453 385 I N 4.509 125.000 120.570 -0.130 0.000 2.337 385 I HA 0.505 4.689 4.170 0.022 0.000 0.291 385 I C 0.578 176.712 176.117 0.028 0.000 1.046 385 I CA -0.080 61.160 61.300 -0.099 0.000 1.324 385 I CB 1.049 38.923 38.000 -0.209 0.000 1.409 385 I HN 0.673 nan 8.210 nan 0.000 0.494 386 A N 5.842 128.746 122.820 0.139 0.000 2.267 386 A HA 0.507 4.840 4.320 0.022 0.000 0.315 386 A C 0.020 177.928 177.584 0.541 0.000 1.297 386 A CA -0.599 51.589 52.037 0.252 0.000 0.865 386 A CB 0.653 19.735 19.000 0.138 0.000 1.165 386 A HN 0.656 nan 8.150 nan 0.000 0.513 387 E N 1.818 122.256 120.200 0.395 0.000 2.383 387 E HA 0.313 4.676 4.350 0.022 0.000 0.264 387 E C 0.157 176.838 176.600 0.135 0.000 1.050 387 E CA 0.234 56.856 56.400 0.369 0.000 0.896 387 E CB 0.474 30.292 29.700 0.196 0.000 0.982 387 E HN 0.560 nan 8.360 nan 0.000 0.424 388 T N 2.862 117.375 114.554 -0.068 0.000 2.905 388 T HA 0.457 4.821 4.350 0.022 0.000 0.299 388 T C 0.291 174.600 174.700 -0.653 0.000 1.024 388 T CA 0.912 62.456 62.100 -0.927 0.000 1.151 388 T CB -0.095 68.450 68.868 -0.538 0.000 0.987 388 T HN 0.738 nan 8.240 nan 0.000 0.535 389 G N 2.974 111.289 108.800 -0.808 0.000 2.315 389 G HA2 -0.047 3.926 3.960 0.022 0.000 0.296 389 G HA3 -0.047 3.926 3.960 0.022 0.000 0.296 389 G C 0.177 175.046 174.900 -0.052 0.000 1.289 389 G CA -0.127 44.803 45.100 -0.283 0.000 0.996 389 G HN 0.518 nan 8.290 nan 0.000 0.487 390 D N -0.188 120.259 120.400 0.078 0.000 2.309 390 D HA 0.027 4.681 4.640 0.022 0.000 0.212 390 D C 2.440 178.896 176.300 0.261 0.000 0.968 390 D CA 1.762 55.893 54.000 0.218 0.000 0.882 390 D CB -0.013 40.852 40.800 0.108 0.000 0.918 390 D HN 0.267 nan 8.370 nan 0.000 0.503 391 S N -0.467 115.335 115.700 0.169 0.000 2.419 391 S HA -0.139 4.345 4.470 0.022 0.000 0.233 391 S C 1.396 176.205 174.600 0.348 0.000 1.016 391 S CA 0.428 58.751 58.200 0.205 0.000 0.974 391 S CB -0.222 63.075 63.200 0.162 0.000 0.786 391 S HN 0.451 nan 8.310 nan 0.000 0.492 392 W N 1.328 122.690 121.300 0.104 0.000 2.317 392 W HA -0.080 4.592 4.660 0.021 0.000 0.318 392 W C 1.809 178.266 176.519 -0.104 0.000 1.227 392 W CA 0.586 57.894 57.345 -0.061 0.000 1.269 392 W CB -1.360 27.797 29.460 -0.506 0.000 1.155 392 W HN 0.346 nan 8.180 nan 0.000 0.484 393 F N 0.077 120.217 119.950 0.317 0.000 2.234 393 F HA -0.129 4.411 4.527 0.022 0.000 0.296 393 F C 2.216 178.119 175.800 0.171 0.000 1.089 393 F CA 1.118 59.242 58.000 0.207 0.000 1.343 393 F CB -1.130 37.917 39.000 0.079 0.000 1.040 393 F HN -0.180 nan 8.300 nan 0.000 0.498 394 N N 0.762 119.647 118.700 0.309 0.000 2.069 394 N HA -0.174 4.579 4.740 0.022 0.000 0.191 394 N C 2.088 177.694 175.510 0.160 0.000 1.031 394 N CA 1.529 54.689 53.050 0.184 0.000 0.852 394 N CB -0.732 37.827 38.487 0.120 0.000 1.018 394 N HN 0.282 nan 8.380 nan 0.000 0.423 395 A N 0.842 123.769 122.820 0.179 0.000 1.902 395 A HA -0.190 4.144 4.320 0.022 0.000 0.217 395 A C 2.206 179.889 177.584 0.164 0.000 1.181 395 A CA 1.589 53.702 52.037 0.128 0.000 0.623 395 A CB -0.673 18.381 19.000 0.090 0.000 0.818 395 A HN 0.264 nan 8.150 nan 0.000 0.443 396 Q N -0.059 119.890 119.800 0.248 0.000 2.226 396 Q HA -0.083 4.270 4.340 0.022 0.000 0.204 396 Q C 1.861 178.060 176.000 0.331 0.000 0.975 396 Q CA 1.564 57.523 55.803 0.259 0.000 0.866 396 Q CB -0.249 28.644 28.738 0.258 0.000 0.915 396 Q HN 0.676 nan 8.270 nan 0.000 0.440 397 R N -1.090 119.577 120.500 0.277 0.000 2.310 397 R HA 0.198 4.552 4.340 0.022 0.000 0.202 397 R C -0.021 176.395 176.300 0.193 0.000 0.933 397 R CA -0.018 56.222 56.100 0.234 0.000 1.054 397 R CB 0.167 30.542 30.300 0.125 0.000 0.985 397 R HN 0.269 nan 8.270 nan 0.000 0.489 398 M N 1.257 120.963 119.600 0.177 0.000 2.180 398 M HA 0.156 4.649 4.480 0.022 0.000 0.358 398 M C -0.064 176.327 176.300 0.151 0.000 1.233 398 M CA -0.525 54.847 55.300 0.120 0.000 1.114 398 M CB 1.367 34.004 32.600 0.062 0.000 1.594 398 M HN -0.325 nan 8.290 nan 0.000 0.467 399 K N 3.839 124.320 120.400 0.134 0.000 2.339 399 K HA 0.381 4.715 4.320 0.022 0.000 0.286 399 K C -1.374 175.275 176.600 0.082 0.000 1.050 399 K CA 0.074 56.446 56.287 0.143 0.000 0.956 399 K CB 0.347 32.926 32.500 0.132 0.000 0.990 399 K HN 0.622 nan 8.250 nan 0.000 0.475 400 L N 7.833 129.093 121.223 0.062 0.000 2.264 400 L HA 0.416 4.770 4.340 0.022 0.000 0.289 400 L C -1.985 174.889 176.870 0.005 0.000 1.044 400 L CA -2.474 52.376 54.840 0.016 0.000 0.807 400 L CB 1.326 43.375 42.059 -0.017 0.000 1.192 400 L HN 0.584 nan 8.230 nan 0.000 0.425 401 P HA 0.011 nan 4.420 nan 0.000 0.267 401 P C -0.722 176.564 177.300 -0.023 0.000 1.200 401 P CA -0.307 62.792 63.100 -0.002 0.000 0.772 401 P CB 0.339 32.041 31.700 0.003 0.000 0.855 402 N N 1.446 120.125 118.700 -0.035 0.000 2.411 402 N HA 0.235 4.989 4.740 0.022 0.000 0.261 402 N C 1.589 177.073 175.510 -0.043 0.000 1.248 402 N CA 1.768 54.783 53.050 -0.058 0.000 0.885 402 N CB -0.278 38.167 38.487 -0.070 0.000 1.062 402 N HN 0.741 nan 8.380 nan 0.000 0.471 403 G N 0.220 108.993 108.800 -0.045 0.000 2.284 403 G HA2 -0.200 3.774 3.960 0.022 0.000 0.216 403 G HA3 -0.200 3.774 3.960 0.022 0.000 0.216 403 G C 0.240 175.135 174.900 -0.009 0.000 1.009 403 G CA 0.068 45.153 45.100 -0.026 0.000 0.625 403 G HN 0.895 nan 8.290 nan 0.000 0.501 404 A N 1.141 123.954 122.820 -0.011 0.000 2.462 404 A HA 0.683 5.016 4.320 0.022 0.000 0.243 404 A C 0.599 178.179 177.584 -0.005 0.000 1.076 404 A CA 0.338 52.373 52.037 -0.003 0.000 0.773 404 A CB 0.323 19.319 19.000 -0.007 0.000 1.010 404 A HN 0.419 nan 8.150 nan 0.000 0.493 405 R N 1.010 121.509 120.500 -0.001 0.000 2.711 405 R HA 0.624 4.978 4.340 0.022 0.000 0.284 405 R C -1.340 174.915 176.300 -0.075 0.000 0.968 405 R CA -0.721 55.377 56.100 -0.003 0.000 0.924 405 R CB 1.588 31.917 30.300 0.049 0.000 1.162 405 R HN 0.421 nan 8.270 nan 0.000 0.465 406 V N 2.349 122.191 119.914 -0.120 0.000 2.540 406 V HA 0.317 4.451 4.120 0.022 0.000 0.302 406 V C -0.234 175.698 176.094 -0.270 0.000 1.035 406 V CA -0.814 61.327 62.300 -0.264 0.000 0.873 406 V CB 2.212 33.791 31.823 -0.406 0.000 0.992 406 V HN 0.533 nan 8.190 nan 0.000 0.428 407 E N 3.337 123.381 120.200 -0.260 0.000 2.145 407 E HA 0.492 4.855 4.350 0.022 0.000 0.270 407 E C -1.606 174.972 176.600 -0.036 0.000 0.906 407 E CA -0.417 55.937 56.400 -0.077 0.000 0.761 407 E CB 2.134 31.853 29.700 0.032 0.000 1.116 407 E HN 0.528 nan 8.360 nan 0.000 0.408 408 Y N 0.428 120.705 120.300 -0.038 0.000 2.468 408 Y HA 0.226 4.790 4.550 0.022 0.000 0.342 408 Y C 0.760 176.403 175.900 -0.428 0.000 1.021 408 Y CA -0.892 57.083 58.100 -0.208 0.000 1.079 408 Y CB 1.738 39.953 38.460 -0.409 0.000 1.226 408 Y HN 0.415 nan 8.280 nan 0.000 0.460 409 E N 3.358 123.287 120.200 -0.451 0.000 3.582 409 E HA 0.194 4.558 4.350 0.022 0.000 0.217 409 E C 0.208 176.701 176.600 -0.178 0.000 1.092 409 E CA 0.060 56.088 56.400 -0.620 0.000 1.365 409 E CB 0.135 28.935 29.700 -1.500 0.000 1.278 409 E HN 0.817 nan 8.360 nan 0.000 0.439 410 M N 0.360 119.809 119.600 -0.252 0.000 2.619 410 M HA -0.080 4.414 4.480 0.022 0.000 0.251 410 M C 1.867 178.117 176.300 -0.084 0.000 1.106 410 M CA 0.847 55.948 55.300 -0.332 0.000 1.086 410 M CB 0.261 32.304 32.600 -0.927 0.000 1.465 410 M HN 0.146 nan 8.290 nan 0.000 0.506 411 Q N -0.018 119.764 119.800 -0.031 0.000 2.200 411 Q HA -0.081 4.272 4.340 0.022 0.000 0.197 411 Q C 1.780 177.897 176.000 0.195 0.000 0.953 411 Q CA 1.395 57.228 55.803 0.051 0.000 0.851 411 Q CB -0.227 28.540 28.738 0.048 0.000 0.938 411 Q HN 0.613 nan 8.270 nan 0.000 0.488 412 W N 0.458 121.748 121.300 -0.017 0.000 2.444 412 W HA 0.103 4.773 4.660 0.015 0.000 0.308 412 W C 0.540 177.109 176.519 0.082 0.000 1.183 412 W CA 1.406 58.777 57.345 0.044 0.000 1.340 412 W CB 0.026 29.527 29.460 0.069 0.000 1.138 412 W HN 0.367 nan 8.180 nan 0.000 0.510 413 G N 1.294 110.228 108.800 0.224 0.000 2.272 413 G HA2 -0.321 3.652 3.960 0.022 0.000 0.280 413 G HA3 -0.321 3.652 3.960 0.022 0.000 0.280 413 G C -0.218 174.718 174.900 0.060 0.000 1.067 413 G CA 0.334 45.551 45.100 0.196 0.000 0.902 413 G HN 0.566 nan 8.290 nan 0.000 0.500 414 H N 0.914 119.997 119.070 0.022 0.000 2.846 414 H HA 0.384 4.952 4.556 0.021 0.000 0.278 414 H C 1.429 176.793 175.328 0.060 0.000 1.117 414 H CA -0.175 55.893 56.048 0.034 0.000 1.406 414 H CB 0.038 29.974 29.762 0.290 0.000 1.445 414 H HN 0.640 nan 8.280 nan 0.000 0.469 415 I N 1.252 121.816 120.570 -0.011 0.000 2.752 415 I HA 0.209 4.392 4.170 0.022 0.000 0.287 415 I C 1.219 177.466 176.117 0.217 0.000 1.188 415 I CA 0.843 62.174 61.300 0.051 0.000 1.427 415 I CB 0.561 38.500 38.000 -0.102 0.000 1.365 415 I HN 0.743 nan 8.210 nan 0.000 0.585 416 G N 4.590 113.502 108.800 0.185 0.000 2.241 416 G HA2 -0.344 3.629 3.960 0.022 0.000 0.244 416 G HA3 -0.344 3.629 3.960 0.022 0.000 0.244 416 G C 0.425 175.364 174.900 0.064 0.000 0.998 416 G CA 0.525 45.719 45.100 0.157 0.000 0.621 416 G HN 1.116 nan 8.290 nan 0.000 0.519 417 W N 2.839 124.014 121.300 -0.208 0.000 2.305 417 W HA -0.174 4.500 4.660 0.022 0.000 0.308 417 W C 2.577 178.940 176.519 -0.259 0.000 1.226 417 W CA 3.622 60.577 57.345 -0.651 0.000 1.253 417 W CB -0.610 28.464 29.460 -0.643 0.000 1.146 417 W HN 0.731 nan 8.180 nan 0.000 0.507 418 S N -0.009 115.451 115.700 -0.400 0.000 2.400 418 S HA -0.240 4.244 4.470 0.022 0.000 0.232 418 S C 1.699 176.003 174.600 -0.495 0.000 1.025 418 S CA 1.800 59.540 58.200 -0.767 0.000 0.993 418 S CB -1.140 61.952 63.200 -0.181 0.000 0.808 418 S HN 0.217 nan 8.310 nan 0.000 0.478 419 V N 3.560 123.332 119.914 -0.236 0.000 2.255 419 V HA -0.030 4.104 4.120 0.022 0.000 0.243 419 V C -0.139 175.900 176.094 -0.092 0.000 1.038 419 V CA 1.788 64.030 62.300 -0.097 0.000 1.008 419 V CB -1.581 30.208 31.823 -0.056 0.000 0.645 419 V HN 0.426 nan 8.190 nan 0.000 0.449 420 P HA -0.079 nan 4.420 nan 0.000 0.219 420 P C 1.562 178.843 177.300 -0.031 0.000 1.150 420 P CA 1.900 65.013 63.100 0.020 0.000 0.814 420 P CB 0.005 31.757 31.700 0.086 0.000 0.787 421 A N 0.955 123.592 122.820 -0.305 0.000 1.902 421 A HA -0.057 4.277 4.320 0.022 0.000 0.217 421 A C 2.507 179.970 177.584 -0.202 0.000 1.181 421 A CA 2.147 53.962 52.037 -0.370 0.000 0.623 421 A CB -1.546 16.806 19.000 -1.080 0.000 0.818 421 A HN 0.218 nan 8.150 nan 0.000 0.443 422 A N -1.087 121.591 122.820 -0.235 0.000 1.933 422 A HA -0.024 4.309 4.320 0.022 0.000 0.218 422 A C 2.011 179.652 177.584 0.096 0.000 1.175 422 A CA 1.625 53.621 52.037 -0.069 0.000 0.628 422 A CB -0.712 18.242 19.000 -0.077 0.000 0.814 422 A HN 0.718 nan 8.150 nan 0.000 0.444 423 F N 1.295 121.224 119.950 -0.034 0.000 2.069 423 F HA -0.064 4.475 4.527 0.021 0.000 0.298 423 F C 2.283 178.126 175.800 0.072 0.000 1.113 423 F CA 1.694 59.705 58.000 0.018 0.000 1.214 423 F CB -0.937 38.060 39.000 -0.005 0.000 0.978 423 F HN 0.172 nan 8.300 nan 0.000 0.474 424 G N -1.485 107.201 108.800 -0.190 0.000 2.418 424 G HA2 -0.341 3.633 3.960 0.022 0.000 0.217 424 G HA3 -0.341 3.633 3.960 0.022 0.000 0.217 424 G C 1.647 176.557 174.900 0.017 0.000 1.158 424 G CA 0.889 45.846 45.100 -0.238 0.000 0.771 424 G HN 0.523 nan 8.290 nan 0.000 0.545 425 Y N 1.869 122.121 120.300 -0.081 0.000 2.145 425 Y HA 0.000 4.563 4.550 0.022 0.000 0.286 425 Y C 2.943 178.787 175.900 -0.093 0.000 1.145 425 Y CA 1.542 59.597 58.100 -0.074 0.000 1.148 425 Y CB -0.229 38.197 38.460 -0.058 0.000 0.981 425 Y HN 0.243 nan 8.280 nan 0.000 0.507 426 A N -0.961 121.914 122.820 0.091 0.000 1.972 426 A HA -0.133 4.200 4.320 0.022 0.000 0.219 426 A C 2.279 179.799 177.584 -0.107 0.000 1.169 426 A CA 1.760 53.812 52.037 0.025 0.000 0.635 426 A CB -1.206 17.842 19.000 0.079 0.000 0.810 426 A HN 0.342 nan 8.150 nan 0.000 0.446 427 V N -0.449 119.344 119.914 -0.200 0.000 2.427 427 V HA -0.134 3.999 4.120 0.022 0.000 0.248 427 V C 2.623 178.562 176.094 -0.259 0.000 1.051 427 V CA 1.906 64.034 62.300 -0.287 0.000 1.048 427 V CB -0.934 30.627 31.823 -0.437 0.000 0.666 427 V HN 0.617 nan 8.190 nan 0.000 0.456 428 G N -1.019 107.625 108.800 -0.261 0.000 2.603 428 G HA2 0.259 4.233 3.960 0.022 0.000 0.214 428 G HA3 0.259 4.233 3.960 0.022 0.000 0.214 428 G C 0.720 175.370 174.900 -0.417 0.000 1.140 428 G CA 0.749 45.551 45.100 -0.497 0.000 0.800 428 G HN 0.636 nan 8.290 nan 0.000 0.533 429 A N 0.429 123.015 122.820 -0.389 0.000 3.355 429 A HA 0.636 4.970 4.320 0.022 0.000 0.290 429 A C -1.596 175.904 177.584 -0.140 0.000 0.973 429 A CA -0.708 51.143 52.037 -0.309 0.000 0.933 429 A CB 0.961 19.652 19.000 -0.514 0.000 1.138 429 A HN 0.044 nan 8.150 nan 0.000 0.490 430 P HA -0.164 nan 4.420 nan 0.000 0.222 430 P C 1.315 178.610 177.300 -0.008 0.000 1.147 430 P CA 1.225 64.307 63.100 -0.030 0.000 0.790 430 P CB 0.250 31.940 31.700 -0.016 0.000 0.780 431 E N 0.567 120.755 120.200 -0.020 0.000 2.347 431 E HA -0.094 4.270 4.350 0.022 0.000 0.196 431 E C 0.501 177.106 176.600 0.009 0.000 1.008 431 E CA 0.515 56.911 56.400 -0.006 0.000 0.852 431 E CB -0.261 29.429 29.700 -0.017 0.000 0.783 431 E HN 0.276 nan 8.360 nan 0.000 0.505 432 R N 0.964 121.476 120.500 0.020 0.000 2.532 432 R HA 0.339 4.693 4.340 0.022 0.000 0.272 432 R C 0.345 176.683 176.300 0.064 0.000 1.032 432 R CA -0.745 55.386 56.100 0.052 0.000 1.089 432 R CB 1.059 31.416 30.300 0.097 0.000 1.098 432 R HN -0.023 nan 8.270 nan 0.000 0.526 433 R N 2.274 122.812 120.500 0.063 0.000 2.291 433 R HA 0.043 4.397 4.340 0.022 0.000 0.333 433 R C -0.916 175.431 176.300 0.079 0.000 1.082 433 R CA -0.109 56.029 56.100 0.064 0.000 0.948 433 R CB 0.167 30.501 30.300 0.057 0.000 1.009 433 R HN 0.489 nan 8.270 nan 0.000 0.460 434 N N 6.142 124.892 118.700 0.084 0.000 2.457 434 N HA 0.246 4.999 4.740 0.022 0.000 0.250 434 N C -0.621 174.925 175.510 0.061 0.000 0.982 434 N CA -0.207 52.895 53.050 0.086 0.000 0.941 434 N CB 1.443 40.007 38.487 0.129 0.000 1.120 434 N HN 0.519 nan 8.380 nan 0.000 0.505 435 I N 2.138 122.741 120.570 0.055 0.000 2.441 435 I HA 0.295 4.479 4.170 0.022 0.000 0.295 435 I C -0.458 175.702 176.117 0.072 0.000 0.994 435 I CA -0.991 60.371 61.300 0.103 0.000 1.144 435 I CB 1.819 39.930 38.000 0.186 0.000 1.314 435 I HN 0.168 nan 8.210 nan 0.000 0.445 436 L N 7.548 128.827 121.223 0.094 0.000 2.325 436 L HA 0.544 4.898 4.340 0.022 0.000 0.281 436 L C -0.962 176.003 176.870 0.158 0.000 1.004 436 L CA -0.211 54.671 54.840 0.070 0.000 0.823 436 L CB 1.382 43.459 42.059 0.031 0.000 1.236 436 L HN 0.565 nan 8.230 nan 0.000 0.415 437 M N 6.152 125.836 119.600 0.140 0.000 2.044 437 M HA 0.463 4.956 4.480 0.022 0.000 0.333 437 M C -1.365 175.004 176.300 0.116 0.000 1.004 437 M CA -0.477 54.916 55.300 0.155 0.000 0.954 437 M CB 1.485 34.156 32.600 0.118 0.000 1.468 437 M HN 0.521 nan 8.290 nan 0.000 0.414 438 V N 3.762 123.727 119.914 0.084 0.000 2.709 438 V HA 0.852 4.985 4.120 0.022 0.000 0.308 438 V C -0.023 176.070 176.094 -0.002 0.000 1.062 438 V CA -0.333 62.008 62.300 0.069 0.000 0.901 438 V CB 2.170 34.064 31.823 0.119 0.000 1.003 438 V HN 0.864 nan 8.190 nan 0.000 0.425 439 G N 3.462 112.263 108.800 0.002 0.000 2.572 439 G HA2 0.299 4.272 3.960 0.022 0.000 0.261 439 G HA3 0.299 4.272 3.960 0.022 0.000 0.261 439 G C 0.645 175.483 174.900 -0.103 0.000 1.197 439 G CA 0.409 45.479 45.100 -0.050 0.000 0.870 439 G HN 0.948 nan 8.290 nan 0.000 0.548 440 D N 0.426 120.701 120.400 -0.208 0.000 2.117 440 D HA -0.121 4.532 4.640 0.022 0.000 0.197 440 D C 2.215 178.458 176.300 -0.093 0.000 0.987 440 D CA 1.494 55.278 54.000 -0.359 0.000 0.829 440 D CB -0.992 39.575 40.800 -0.389 0.000 0.961 440 D HN 0.479 nan 8.370 nan 0.000 0.460 441 G N 0.090 108.918 108.800 0.047 0.000 2.418 441 G HA2 -0.238 3.736 3.960 0.022 0.000 0.217 441 G HA3 -0.238 3.736 3.960 0.022 0.000 0.217 441 G C 1.859 176.861 174.900 0.170 0.000 1.158 441 G CA 1.114 46.356 45.100 0.236 0.000 0.771 441 G HN 0.376 nan 8.290 nan 0.000 0.545 442 S N 0.141 115.899 115.700 0.096 0.000 2.371 442 S HA -0.026 4.458 4.470 0.022 0.000 0.224 442 S C 1.866 176.532 174.600 0.109 0.000 1.029 442 S CA 0.666 58.912 58.200 0.076 0.000 0.978 442 S CB -0.364 62.875 63.200 0.065 0.000 0.833 442 S HN 0.362 nan 8.310 nan 0.000 0.466 443 F N 2.702 122.624 119.950 -0.047 0.000 2.154 443 F HA -0.205 4.336 4.527 0.023 0.000 0.301 443 F C 2.306 178.113 175.800 0.012 0.000 1.087 443 F CA 1.542 59.524 58.000 -0.030 0.000 1.274 443 F CB -0.377 38.551 39.000 -0.120 0.000 1.009 443 F HN 0.225 nan 8.300 nan 0.000 0.485 444 Q N -0.414 119.368 119.800 -0.030 0.000 2.291 444 Q HA -0.161 4.193 4.340 0.022 0.000 0.205 444 Q C 2.063 178.108 176.000 0.074 0.000 0.970 444 Q CA 1.157 56.878 55.803 -0.136 0.000 0.876 444 Q CB -0.206 28.353 28.738 -0.299 0.000 0.935 444 Q HN 0.416 nan 8.270 nan 0.000 0.455 445 L N -0.260 121.005 121.223 0.070 0.000 2.156 445 L HA -0.092 4.262 4.340 0.022 0.000 0.208 445 L C 1.914 178.852 176.870 0.114 0.000 1.095 445 L CA 1.677 56.594 54.840 0.128 0.000 0.770 445 L CB 0.025 42.183 42.059 0.165 0.000 0.914 445 L HN 0.268 nan 8.230 nan 0.000 0.439 446 T N -6.007 108.556 114.554 0.016 0.000 3.262 446 T HA 0.361 4.725 4.350 0.022 0.000 0.300 446 T C 1.489 176.091 174.700 -0.164 0.000 0.959 446 T CA 0.214 62.305 62.100 -0.014 0.000 0.936 446 T CB 0.090 68.974 68.868 0.026 0.000 1.169 446 T HN 0.043 nan 8.240 nan 0.000 0.532 447 A N 2.883 125.529 122.820 -0.289 0.000 1.971 447 A HA -0.256 4.078 4.320 0.022 0.000 0.222 447 A C 2.480 179.954 177.584 -0.183 0.000 1.182 447 A CA 2.081 53.779 52.037 -0.565 0.000 0.649 447 A CB -0.679 18.137 19.000 -0.306 0.000 0.818 447 A HN 0.723 nan 8.150 nan 0.000 0.458 448 Q N -0.658 119.092 119.800 -0.083 0.000 2.291 448 Q HA -0.210 4.144 4.340 0.022 0.000 0.206 448 Q C 1.312 177.032 176.000 -0.467 0.000 0.976 448 Q CA 1.777 57.426 55.803 -0.257 0.000 0.875 448 Q CB -0.484 28.189 28.738 -0.108 0.000 0.927 448 Q HN 0.596 nan 8.270 nan 0.000 0.450 449 E N 0.937 120.948 120.200 -0.315 0.000 2.338 449 E HA -0.039 4.324 4.350 0.022 0.000 0.197 449 E C 1.887 178.234 176.600 -0.422 0.000 1.007 449 E CA 0.409 56.585 56.400 -0.374 0.000 0.849 449 E CB -0.120 29.431 29.700 -0.250 0.000 0.774 449 E HN 0.232 nan 8.360 nan 0.000 0.506 450 V N 0.313 120.042 119.914 -0.309 0.000 2.469 450 V HA -0.294 3.839 4.120 0.022 0.000 0.251 450 V C 2.226 178.137 176.094 -0.305 0.000 1.064 450 V CA 1.657 63.867 62.300 -0.149 0.000 1.066 450 V CB -0.809 31.128 31.823 0.190 0.000 0.667 450 V HN 0.383 nan 8.190 nan 0.000 0.461 451 A N -0.623 121.746 122.820 -0.752 0.000 1.978 451 A HA -0.238 4.095 4.320 0.022 0.000 0.220 451 A C 2.183 179.576 177.584 -0.318 0.000 1.170 451 A CA 1.547 53.227 52.037 -0.595 0.000 0.636 451 A CB -0.336 18.179 19.000 -0.808 0.000 0.810 451 A HN 0.553 nan 8.150 nan 0.000 0.448 452 Q N -0.723 118.808 119.800 -0.449 0.000 2.172 452 Q HA -0.020 4.333 4.340 0.022 0.000 0.200 452 Q C 2.098 177.954 176.000 -0.239 0.000 0.964 452 Q CA 1.289 56.808 55.803 -0.473 0.000 0.855 452 Q CB -0.482 27.626 28.738 -1.050 0.000 0.918 452 Q HN 0.798 nan 8.270 nan 0.000 0.444 453 M N -0.057 119.437 119.600 -0.177 0.000 2.117 453 M HA -0.148 4.346 4.480 0.022 0.000 0.262 453 M C 2.247 178.611 176.300 0.107 0.000 1.065 453 M CA 1.155 56.541 55.300 0.143 0.000 1.114 453 M CB -0.395 32.294 32.600 0.148 0.000 1.361 453 M HN -0.043 nan 8.290 nan 0.000 0.408 454 V N 0.195 120.139 119.914 0.050 0.000 2.295 454 V HA -0.279 3.855 4.120 0.022 0.000 0.246 454 V C 2.415 178.552 176.094 0.071 0.000 1.049 454 V CA 1.982 64.327 62.300 0.075 0.000 1.024 454 V CB -0.877 31.003 31.823 0.094 0.000 0.648 454 V HN 0.474 nan 8.190 nan 0.000 0.447 455 R N 0.027 120.556 120.500 0.048 0.000 2.083 455 R HA -0.117 4.237 4.340 0.022 0.000 0.237 455 R C 1.851 178.207 176.300 0.094 0.000 1.137 455 R CA 1.612 57.749 56.100 0.062 0.000 0.951 455 R CB -0.171 30.153 30.300 0.040 0.000 0.851 455 R HN 0.460 nan 8.270 nan 0.000 0.434 456 L N 0.973 122.278 121.223 0.136 0.000 2.629 456 L HA 0.166 4.520 4.340 0.022 0.000 0.230 456 L C -0.078 176.860 176.870 0.115 0.000 1.151 456 L CA 0.075 55.000 54.840 0.141 0.000 0.924 456 L CB 0.020 42.201 42.059 0.204 0.000 1.137 456 L HN 0.175 nan 8.230 nan 0.000 0.457 457 K N 0.894 121.356 120.400 0.103 0.000 3.148 457 K HA -0.167 4.166 4.320 0.022 0.000 0.267 457 K C -0.519 176.132 176.600 0.084 0.000 0.996 457 K CA 0.465 56.803 56.287 0.084 0.000 0.737 457 K CB -1.762 30.778 32.500 0.066 0.000 1.308 457 K HN 0.320 nan 8.250 nan 0.000 0.470 458 L N 0.661 121.948 121.223 0.107 0.000 2.276 458 L HA 0.265 4.618 4.340 0.022 0.000 0.286 458 L C -1.618 175.304 176.870 0.086 0.000 1.061 458 L CA -2.261 52.639 54.840 0.100 0.000 0.807 458 L CB 0.753 42.896 42.059 0.139 0.000 1.177 458 L HN -0.119 nan 8.230 nan 0.000 0.429 459 P HA 0.060 nan 4.420 nan 0.000 0.226 459 P C -0.198 177.130 177.300 0.047 0.000 1.758 459 P CA -0.090 63.041 63.100 0.051 0.000 0.896 459 P CB -0.119 31.606 31.700 0.042 0.000 1.784 460 V N 1.572 121.522 119.914 0.060 0.000 2.521 460 V HA 0.036 4.169 4.120 0.022 0.000 0.286 460 V C 0.980 177.075 176.094 0.002 0.000 1.034 460 V CA 0.040 62.370 62.300 0.050 0.000 1.045 460 V CB 0.272 32.142 31.823 0.079 0.000 0.974 460 V HN 0.183 nan 8.190 nan 0.000 0.480 461 I N 6.369 126.920 120.570 -0.032 0.000 2.312 461 I HA 0.369 4.552 4.170 0.022 0.000 0.291 461 I C -0.139 175.838 176.117 -0.232 0.000 1.031 461 I CA -0.001 61.204 61.300 -0.157 0.000 1.293 461 I CB 0.727 38.630 38.000 -0.161 0.000 1.403 461 I HN 0.444 nan 8.210 nan 0.000 0.484 462 I N 6.626 127.019 120.570 -0.296 0.000 2.330 462 I HA 0.266 4.450 4.170 0.022 0.000 0.289 462 I C -0.737 175.139 176.117 -0.401 0.000 1.001 462 I CA -0.445 60.722 61.300 -0.222 0.000 1.193 462 I CB 0.853 38.801 38.000 -0.087 0.000 1.345 462 I HN 0.362 nan 8.210 nan 0.000 0.461 463 F N 6.712 126.637 119.950 -0.043 0.000 2.334 463 F HA 0.237 4.777 4.527 0.022 0.000 0.365 463 F C 0.182 175.906 175.800 -0.127 0.000 1.124 463 F CA -0.520 57.440 58.000 -0.066 0.000 1.166 463 F CB 0.665 39.645 39.000 -0.034 0.000 1.355 463 F HN 0.309 nan 8.300 nan 0.000 0.532 464 L N 6.106 127.265 121.223 -0.107 0.000 2.295 464 L HA 0.314 4.667 4.340 0.022 0.000 0.288 464 L C -0.455 176.268 176.870 -0.244 0.000 1.079 464 L CA -0.256 54.406 54.840 -0.298 0.000 0.830 464 L CB 0.059 41.783 42.059 -0.557 0.000 1.200 464 L HN 0.336 nan 8.230 nan 0.000 0.438 465 I N 5.332 125.792 120.570 -0.183 0.000 2.329 465 I HA 0.089 4.272 4.170 0.022 0.000 0.295 465 I C 0.593 176.575 176.117 -0.225 0.000 1.109 465 I CA -0.085 61.129 61.300 -0.144 0.000 1.297 465 I CB -0.212 37.753 38.000 -0.058 0.000 1.433 465 I HN 0.521 nan 8.210 nan 0.000 0.509 466 N N 6.497 125.023 118.700 -0.291 0.000 2.767 466 N HA 0.070 4.824 4.740 0.022 0.000 0.238 466 N C 0.407 175.849 175.510 -0.113 0.000 1.083 466 N CA -0.209 52.667 53.050 -0.290 0.000 0.964 466 N CB 0.151 38.333 38.487 -0.509 0.000 1.252 466 N HN 0.448 nan 8.380 nan 0.000 0.512 467 N N 2.677 121.364 118.700 -0.021 0.000 2.273 467 N HA -0.005 4.749 4.740 0.022 0.000 0.231 467 N C -0.458 175.137 175.510 0.143 0.000 1.134 467 N CA -0.580 52.505 53.050 0.059 0.000 0.856 467 N CB -0.570 37.937 38.487 0.033 0.000 1.068 467 N HN 0.318 nan 8.380 nan 0.000 0.510 468 Y N 0.509 120.794 120.300 -0.025 0.000 3.057 468 Y HA -0.022 4.541 4.550 0.023 0.000 0.192 468 Y C 0.355 176.222 175.900 -0.055 0.000 1.448 468 Y CA 0.773 58.864 58.100 -0.014 0.000 1.065 468 Y CB -1.301 37.170 38.460 0.019 0.000 1.369 468 Y HN 0.702 nan 8.280 nan 0.000 0.460 469 G N 0.477 109.206 108.800 -0.118 0.000 2.357 469 G HA2 0.173 4.147 3.960 0.022 0.000 0.289 469 G HA3 0.173 4.147 3.960 0.022 0.000 0.289 469 G C -1.451 173.406 174.900 -0.072 0.000 1.302 469 G CA -0.638 44.296 45.100 -0.278 0.000 0.936 469 G HN 0.269 nan 8.290 nan 0.000 0.513 470 Y N 2.008 122.267 120.300 -0.067 0.000 2.636 470 Y HA 0.411 4.975 4.550 0.023 0.000 0.334 470 Y C 2.204 178.086 175.900 -0.030 0.000 1.286 470 Y CA -0.055 58.022 58.100 -0.038 0.000 1.688 470 Y CB -0.143 38.310 38.460 -0.011 0.000 1.662 470 Y HN 0.482 nan 8.280 nan 0.000 0.465 471 T N 1.566 116.184 114.554 0.106 0.000 2.746 471 T HA -0.211 4.152 4.350 0.022 0.000 0.267 471 T C 2.174 176.904 174.700 0.050 0.000 1.039 471 T CA 1.419 63.550 62.100 0.052 0.000 1.142 471 T CB -0.153 68.731 68.868 0.026 0.000 0.866 471 T HN 0.691 nan 8.240 nan 0.000 0.444 472 I N 0.661 121.261 120.570 0.051 0.000 2.264 472 I HA -0.207 3.976 4.170 0.022 0.000 0.248 472 I C 2.438 178.602 176.117 0.077 0.000 1.111 472 I CA 1.655 62.990 61.300 0.058 0.000 1.382 472 I CB -0.011 38.003 38.000 0.023 0.000 1.060 472 I HN 0.142 nan 8.210 nan 0.000 0.418 473 E N 0.090 120.340 120.200 0.083 0.000 2.072 473 E HA -0.145 4.218 4.350 0.022 0.000 0.190 473 E C 2.092 178.763 176.600 0.118 0.000 0.982 473 E CA 1.215 57.682 56.400 0.112 0.000 0.803 473 E CB -0.156 29.640 29.700 0.160 0.000 0.755 473 E HN 0.373 nan 8.360 nan 0.000 0.453 474 V N 0.558 120.526 119.914 0.090 0.000 2.392 474 V HA -0.261 3.873 4.120 0.022 0.000 0.249 474 V C 1.902 178.004 176.094 0.012 0.000 1.059 474 V CA 1.470 63.789 62.300 0.031 0.000 1.051 474 V CB -0.378 31.446 31.823 0.002 0.000 0.658 474 V HN 0.378 nan 8.190 nan 0.000 0.455 475 M N -1.677 117.935 119.600 0.021 0.000 2.556 475 M HA 0.190 4.684 4.480 0.022 0.000 0.245 475 M C 1.740 178.043 176.300 0.006 0.000 1.128 475 M CA 1.073 56.373 55.300 0.000 0.000 1.069 475 M CB -0.463 32.128 32.600 -0.015 0.000 1.469 475 M HN 0.311 nan 8.290 nan 0.000 0.494 476 I N -1.628 118.964 120.570 0.037 0.000 2.681 476 I HA -0.051 4.133 4.170 0.022 0.000 0.247 476 I C 0.397 176.587 176.117 0.123 0.000 1.091 476 I CA 0.520 61.841 61.300 0.034 0.000 1.442 476 I CB 0.287 38.308 38.000 0.036 0.000 1.219 476 I HN 0.221 nan 8.210 nan 0.000 0.451 477 H N 0.135 119.229 119.070 0.041 0.000 3.154 477 H HA 0.286 4.856 4.556 0.023 0.000 0.330 477 H C -1.582 173.828 175.328 0.137 0.000 1.033 477 H CA -0.827 55.263 56.048 0.070 0.000 1.393 477 H CB 1.042 30.846 29.762 0.070 0.000 1.951 477 H HN -0.073 nan 8.280 nan 0.000 0.466 478 D N 2.686 122.868 120.400 -0.364 0.000 2.225 478 D HA 0.633 5.287 4.640 0.022 0.000 0.249 478 D C 0.194 176.251 176.300 -0.404 0.000 1.052 478 D CA 0.833 54.677 54.000 -0.260 0.000 0.909 478 D CB 1.435 42.114 40.800 -0.200 0.000 1.186 478 D HN 0.849 nan 8.370 nan 0.000 0.431 479 G N 1.780 110.252 108.800 -0.547 0.000 2.495 479 G HA2 0.302 4.275 3.960 0.022 0.000 0.294 479 G HA3 0.302 4.275 3.960 0.022 0.000 0.294 479 G C -2.350 171.974 174.900 -0.960 0.000 1.397 479 G CA -0.863 43.666 45.100 -0.952 0.000 0.790 479 G HN 0.263 nan 8.290 nan 0.000 0.486 480 P HA -0.034 nan 4.420 nan 0.000 0.222 480 P C 1.146 178.256 177.300 -0.318 0.000 1.147 480 P CA 1.088 63.951 63.100 -0.394 0.000 0.790 480 P CB -0.146 31.426 31.700 -0.213 0.000 0.780 481 Y N -2.011 118.283 120.300 -0.009 0.000 2.616 481 Y HA 0.110 4.675 4.550 0.024 0.000 0.296 481 Y C 1.408 177.328 175.900 0.033 0.000 1.154 481 Y CA 0.015 58.130 58.100 0.025 0.000 1.325 481 Y CB -1.956 36.546 38.460 0.070 0.000 1.007 481 Y HN -0.083 nan 8.280 nan 0.000 0.542 482 N N 0.252 118.958 118.700 0.009 0.000 2.353 482 N HA -0.028 4.725 4.740 0.022 0.000 0.185 482 N C -0.638 174.652 175.510 -0.367 0.000 1.098 482 N CA 0.205 53.258 53.050 0.006 0.000 0.872 482 N CB -0.138 38.369 38.487 0.034 0.000 0.970 482 N HN 0.349 nan 8.380 nan 0.000 0.467 483 N N 1.225 119.716 118.700 -0.349 0.000 2.498 483 N HA 0.298 5.051 4.740 0.022 0.000 0.287 483 N C 0.243 175.493 175.510 -0.433 0.000 1.097 483 N CA -0.267 52.523 53.050 -0.434 0.000 0.973 483 N CB 1.773 40.062 38.487 -0.330 0.000 1.153 483 N HN 0.179 nan 8.380 nan 0.000 0.472 484 I N -2.585 117.706 120.570 -0.465 0.000 3.108 484 I HA 0.592 4.776 4.170 0.022 0.000 0.312 484 I C -0.154 175.933 176.117 -0.050 0.000 1.095 484 I CA -1.267 59.874 61.300 -0.264 0.000 1.000 484 I CB 1.862 39.683 38.000 -0.297 0.000 1.229 484 I HN 0.068 nan 8.210 nan 0.000 0.454 485 K N 3.072 123.518 120.400 0.077 0.000 2.349 485 K HA 0.183 4.516 4.320 0.022 0.000 0.289 485 K C -0.386 176.370 176.600 0.260 0.000 1.064 485 K CA 0.105 56.521 56.287 0.214 0.000 0.947 485 K CB 0.203 32.851 32.500 0.248 0.000 1.007 485 K HN 0.676 nan 8.250 nan 0.000 0.478 486 N N 3.706 122.611 118.700 0.341 0.000 2.454 486 N HA 0.092 4.845 4.740 0.022 0.000 0.254 486 N C -1.096 174.539 175.510 0.208 0.000 1.228 486 N CA 0.064 53.249 53.050 0.225 0.000 0.900 486 N CB 0.348 38.873 38.487 0.064 0.000 1.089 486 N HN 0.347 nan 8.380 nan 0.000 0.449 487 W N 0.605 121.650 121.300 -0.425 0.000 2.655 487 W HA 0.252 4.925 4.660 0.022 0.000 0.358 487 W C -0.030 176.109 176.519 -0.633 0.000 1.100 487 W CA -0.870 56.107 57.345 -0.613 0.000 1.195 487 W CB 0.075 29.042 29.460 -0.822 0.000 1.403 487 W HN 0.447 nan 8.180 nan 0.000 0.589 488 D N 0.717 121.048 120.400 -0.115 0.000 2.558 488 D HA 0.048 4.701 4.640 0.022 0.000 0.221 488 D C 0.748 177.041 176.300 -0.012 0.000 1.143 488 D CA -0.119 53.858 54.000 -0.039 0.000 1.010 488 D CB -0.317 40.479 40.800 -0.007 0.000 1.068 488 D HN 0.168 nan 8.370 nan 0.000 0.511 489 Y N 1.882 122.276 120.300 0.156 0.000 2.151 489 Y HA -0.214 4.349 4.550 0.022 0.000 0.284 489 Y C 2.550 178.472 175.900 0.037 0.000 1.166 489 Y CA 1.378 59.543 58.100 0.109 0.000 1.163 489 Y CB -0.698 37.709 38.460 -0.088 0.000 0.974 489 Y HN 0.454 nan 8.280 nan 0.000 0.511 490 A N 0.333 123.255 122.820 0.171 0.000 1.908 490 A HA -0.167 4.167 4.320 0.022 0.000 0.218 490 A C 2.573 180.195 177.584 0.064 0.000 1.181 490 A CA 1.907 54.005 52.037 0.102 0.000 0.627 490 A CB -1.524 17.544 19.000 0.114 0.000 0.818 490 A HN 0.491 nan 8.150 nan 0.000 0.445 491 G N -0.858 107.968 108.800 0.044 0.000 2.509 491 G HA2 -0.012 3.962 3.960 0.022 0.000 0.218 491 G HA3 -0.012 3.962 3.960 0.022 0.000 0.218 491 G C 1.325 176.186 174.900 -0.065 0.000 1.124 491 G CA 0.893 45.988 45.100 -0.008 0.000 0.776 491 G HN 0.437 nan 8.290 nan 0.000 0.547 492 L N 0.265 121.454 121.223 -0.057 0.000 2.191 492 L HA 0.038 4.392 4.340 0.022 0.000 0.212 492 L C 2.609 179.300 176.870 -0.299 0.000 1.103 492 L CA 1.260 55.970 54.840 -0.217 0.000 0.769 492 L CB -0.262 41.787 42.059 -0.017 0.000 0.908 492 L HN 0.086 nan 8.230 nan 0.000 0.438 493 M N -0.863 118.708 119.600 -0.049 0.000 2.065 493 M HA -0.172 4.322 4.480 0.022 0.000 0.259 493 M C 2.087 178.399 176.300 0.020 0.000 1.069 493 M CA 1.540 56.869 55.300 0.049 0.000 1.110 493 M CB -1.120 31.528 32.600 0.080 0.000 1.328 493 M HN 0.236 nan 8.290 nan 0.000 0.405 494 E N -0.231 119.959 120.200 -0.016 0.000 2.268 494 E HA -0.068 4.295 4.350 0.022 0.000 0.195 494 E C 2.255 178.836 176.600 -0.032 0.000 0.995 494 E CA 0.674 57.069 56.400 -0.007 0.000 0.836 494 E CB -0.282 29.412 29.700 -0.010 0.000 0.763 494 E HN 0.308 nan 8.360 nan 0.000 0.491 495 V N 0.669 120.508 119.914 -0.125 0.000 2.307 495 V HA -0.215 3.919 4.120 0.022 0.000 0.245 495 V C 1.949 178.025 176.094 -0.029 0.000 1.045 495 V CA 1.441 63.646 62.300 -0.159 0.000 1.024 495 V CB -0.510 31.104 31.823 -0.347 0.000 0.651 495 V HN 0.132 nan 8.190 nan 0.000 0.449 496 F N 0.643 120.617 119.950 0.041 0.000 2.325 496 F HA -0.010 4.530 4.527 0.023 0.000 0.299 496 F C 2.248 178.071 175.800 0.039 0.000 1.090 496 F CA 0.440 58.465 58.000 0.040 0.000 1.392 496 F CB -1.127 37.905 39.000 0.053 0.000 1.053 496 F HN 0.214 nan 8.300 nan 0.000 0.521 497 N N 0.380 119.199 118.700 0.198 0.000 2.106 497 N HA -0.075 4.679 4.740 0.022 0.000 0.188 497 N C 1.838 177.410 175.510 0.103 0.000 1.029 497 N CA 1.493 54.619 53.050 0.127 0.000 0.848 497 N CB -0.795 37.744 38.487 0.086 0.000 1.007 497 N HN 0.263 nan 8.380 nan 0.000 0.423 498 G N 1.218 110.067 108.800 0.083 0.000 2.305 498 G HA2 -0.285 3.688 3.960 0.022 0.000 0.287 498 G HA3 -0.285 3.688 3.960 0.022 0.000 0.287 498 G C -0.345 174.582 174.900 0.045 0.000 1.036 498 G CA -0.047 45.093 45.100 0.066 0.000 0.887 498 G HN 0.281 nan 8.290 nan 0.000 0.505 499 N N 0.407 119.128 118.700 0.035 0.000 2.454 499 N HA 0.401 5.154 4.740 0.022 0.000 0.260 499 N C 1.420 176.932 175.510 0.003 0.000 1.218 499 N CA 1.528 54.592 53.050 0.023 0.000 0.904 499 N CB 0.947 39.447 38.487 0.022 0.000 1.065 499 N HN 1.372 nan 8.380 nan 0.000 0.462 500 G N 0.234 109.031 108.800 -0.006 0.000 2.176 500 G HA2 -0.190 3.784 3.960 0.022 0.000 0.253 500 G HA3 -0.190 3.784 3.960 0.022 0.000 0.253 500 G C 0.549 175.412 174.900 -0.062 0.000 0.979 500 G CA 0.248 45.331 45.100 -0.029 0.000 0.641 500 G HN 0.868 nan 8.290 nan 0.000 0.530 501 G N -1.214 107.555 108.800 -0.051 0.000 2.849 501 G HA2 0.537 4.510 3.960 0.022 0.000 0.174 501 G HA3 0.537 4.510 3.960 0.022 0.000 0.174 501 G C 0.694 175.530 174.900 -0.106 0.000 1.370 501 G CA 0.159 45.192 45.100 -0.112 0.000 1.040 501 G HN 0.100 nan 8.290 nan 0.000 0.582 502 Y N 0.837 121.146 120.300 0.016 0.000 2.224 502 Y HA 0.027 4.591 4.550 0.023 0.000 0.289 502 Y C 1.712 177.622 175.900 0.018 0.000 1.146 502 Y CA 1.658 59.767 58.100 0.015 0.000 1.182 502 Y CB -0.006 38.462 38.460 0.013 0.000 0.983 502 Y HN 0.601 nan 8.280 nan 0.000 0.524 503 D N -1.994 118.508 120.400 0.170 0.000 2.887 503 D HA 0.536 5.190 4.640 0.022 0.000 0.221 503 D C -0.421 175.926 176.300 0.077 0.000 1.276 503 D CA -0.181 53.884 54.000 0.107 0.000 1.078 503 D CB 0.515 41.375 40.800 0.099 0.000 1.217 503 D HN -0.014 nan 8.370 nan 0.000 0.631 504 S N -2.713 113.030 115.700 0.072 0.000 2.672 504 S HA 0.797 5.280 4.470 0.022 0.000 0.271 504 S C -0.545 174.096 174.600 0.068 0.000 1.171 504 S CA -0.534 57.703 58.200 0.062 0.000 0.817 504 S CB 1.410 64.639 63.200 0.048 0.000 1.150 504 S HN 1.189 nan 8.310 nan 0.000 0.478 505 G N -1.155 107.685 108.800 0.066 0.000 2.677 505 G HA2 0.746 4.719 3.960 0.022 0.000 0.291 505 G HA3 0.746 4.719 3.960 0.022 0.000 0.291 505 G C -0.562 174.377 174.900 0.066 0.000 1.435 505 G CA -0.262 44.882 45.100 0.074 0.000 0.826 505 G HN 1.579 nan 8.290 nan 0.000 0.491 506 A N -0.026 122.834 122.820 0.067 0.000 2.616 506 A HA 0.712 5.045 4.320 0.022 0.000 0.294 506 A C 0.967 178.588 177.584 0.062 0.000 1.091 506 A CA 0.516 52.588 52.037 0.058 0.000 0.971 506 A CB -0.126 18.904 19.000 0.050 0.000 1.222 506 A HN 1.496 nan 8.150 nan 0.000 0.521 507 G N 0.100 108.948 108.800 0.079 0.000 2.539 507 G HA2 0.479 4.453 3.960 0.022 0.000 0.258 507 G HA3 0.479 4.453 3.960 0.022 0.000 0.258 507 G C -0.284 174.655 174.900 0.066 0.000 1.202 507 G CA -0.289 44.861 45.100 0.084 0.000 0.851 507 G HN 0.338 nan 8.290 nan 0.000 0.556 508 K N -0.267 120.166 120.400 0.054 0.000 2.422 508 K HA 0.556 4.889 4.320 0.022 0.000 0.251 508 K C -0.386 176.235 176.600 0.036 0.000 0.933 508 K CA -0.710 55.600 56.287 0.039 0.000 0.798 508 K CB 2.562 35.077 32.500 0.025 0.000 1.238 508 K HN 0.604 nan 8.250 nan 0.000 0.428 509 G N 2.870 111.692 108.800 0.036 0.000 2.478 509 G HA2 0.672 4.646 3.960 0.022 0.000 0.317 509 G HA3 0.672 4.646 3.960 0.022 0.000 0.317 509 G C -0.983 173.939 174.900 0.038 0.000 1.259 509 G CA -0.503 44.619 45.100 0.037 0.000 0.933 509 G HN 0.365 nan 8.290 nan 0.000 0.478 510 L N 1.119 122.365 121.223 0.037 0.000 2.371 510 L HA 0.607 4.961 4.340 0.022 0.000 0.262 510 L C -0.209 176.719 176.870 0.096 0.000 1.006 510 L CA -1.086 53.786 54.840 0.055 0.000 0.818 510 L CB 2.759 44.840 42.059 0.037 0.000 1.354 510 L HN 0.327 nan 8.230 nan 0.000 0.415 511 K N 1.278 121.757 120.400 0.131 0.000 2.207 511 K HA 0.847 5.181 4.320 0.022 0.000 0.255 511 K C -0.982 175.734 176.600 0.194 0.000 0.941 511 K CA -0.754 55.675 56.287 0.237 0.000 0.825 511 K CB 2.435 35.098 32.500 0.271 0.000 1.119 511 K HN 0.651 nan 8.250 nan 0.000 0.430 512 A N 2.491 125.477 122.820 0.276 0.000 2.375 512 A HA 0.319 4.653 4.320 0.022 0.000 0.291 512 A C -0.185 177.550 177.584 0.252 0.000 1.160 512 A CA -0.691 51.467 52.037 0.202 0.000 0.747 512 A CB 0.604 19.707 19.000 0.173 0.000 1.170 512 A HN 0.825 nan 8.150 nan 0.000 0.458 513 K N 0.757 121.227 120.400 0.117 0.000 2.402 513 K HA 0.169 4.503 4.320 0.022 0.000 0.204 513 K C 0.241 176.871 176.600 0.051 0.000 1.056 513 K CA 0.866 57.192 56.287 0.065 0.000 1.069 513 K CB 0.974 33.405 32.500 -0.115 0.000 0.888 513 K HN 0.827 nan 8.250 nan 0.000 0.546 514 T N -4.612 109.974 114.554 0.054 0.000 2.864 514 T HA 0.340 4.704 4.350 0.022 0.000 0.299 514 T C 1.129 175.858 174.700 0.049 0.000 1.166 514 T CA -0.519 61.605 62.100 0.041 0.000 1.007 514 T CB 1.648 70.529 68.868 0.022 0.000 1.219 514 T HN -0.013 nan 8.240 nan 0.000 0.506 515 G N 0.330 109.153 108.800 0.039 0.000 2.469 515 G HA2 0.009 3.982 3.960 0.022 0.000 0.219 515 G HA3 0.009 3.982 3.960 0.022 0.000 0.219 515 G C 1.469 176.393 174.900 0.040 0.000 1.150 515 G CA 0.965 46.088 45.100 0.038 0.000 0.763 515 G HN 1.183 nan 8.290 nan 0.000 0.561 516 G N 0.350 109.170 108.800 0.033 0.000 2.408 516 G HA2 -0.094 3.880 3.960 0.022 0.000 0.217 516 G HA3 -0.094 3.880 3.960 0.022 0.000 0.217 516 G C 1.616 176.540 174.900 0.039 0.000 1.150 516 G CA 1.009 46.128 45.100 0.032 0.000 0.776 516 G HN 0.525 nan 8.290 nan 0.000 0.542 517 E N -0.422 119.804 120.200 0.043 0.000 2.106 517 E HA -0.077 4.286 4.350 0.022 0.000 0.192 517 E C 2.363 179.006 176.600 0.072 0.000 0.984 517 E CA 0.574 57.005 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 0.333 nan 8.360 nan 0.000 0.458 518 L N 1.033 122.307 121.223 0.085 0.000 2.017 518 L HA -0.117 4.236 4.340 0.022 0.000 0.208 518 L C 2.206 179.140 176.870 0.107 0.000 1.073 518 L CA 2.042 56.950 54.840 0.113 0.000 0.745 518 L CB -0.711 41.415 42.059 0.113 0.000 0.894 518 L HN 0.028 nan 8.230 nan 0.000 0.432 519 A N -0.848 122.019 122.820 0.078 0.000 1.908 519 A HA -0.186 4.148 4.320 0.022 0.000 0.218 519 A C 2.140 179.762 177.584 0.064 0.000 1.181 519 A CA 1.740 53.819 52.037 0.069 0.000 0.627 519 A CB -0.587 18.442 19.000 0.049 0.000 0.818 519 A HN 0.529 nan 8.150 nan 0.000 0.445 520 E N -0.055 120.178 120.200 0.055 0.000 2.072 520 E HA -0.094 4.269 4.350 0.022 0.000 0.191 520 E C 2.357 178.987 176.600 0.049 0.000 0.985 520 E CA 1.211 57.639 56.400 0.046 0.000 0.801 520 E CB -0.729 28.994 29.700 0.037 0.000 0.750 520 E HN 0.569 nan 8.360 nan 0.000 0.452 521 A N 1.335 124.191 122.820 0.060 0.000 1.908 521 A HA -0.164 4.169 4.320 0.022 0.000 0.218 521 A C 2.361 179.975 177.584 0.050 0.000 1.181 521 A CA 1.264 53.334 52.037 0.053 0.000 0.627 521 A CB -0.726 18.314 19.000 0.067 0.000 0.818 521 A HN 0.195 nan 8.150 nan 0.000 0.445 522 I N -0.568 120.055 120.570 0.088 0.000 2.286 522 I HA -0.296 3.887 4.170 0.022 0.000 0.248 522 I C 2.474 178.631 176.117 0.066 0.000 1.115 522 I CA 1.624 62.986 61.300 0.103 0.000 1.392 522 I CB -0.306 37.797 38.000 0.171 0.000 1.065 522 I HN 0.335 nan 8.210 nan 0.000 0.418 523 K N 0.376 120.810 120.400 0.056 0.000 2.026 523 K HA -0.149 4.185 4.320 0.022 0.000 0.208 523 K C 2.069 178.688 176.600 0.032 0.000 1.048 523 K CA 1.377 57.689 56.287 0.042 0.000 0.929 523 K CB -0.304 32.219 32.500 0.037 0.000 0.713 523 K HN 0.135 nan 8.250 nan 0.000 0.439 524 V N 1.448 121.379 119.914 0.028 0.000 2.392 524 V HA -0.282 3.851 4.120 0.022 0.000 0.249 524 V C 2.350 178.451 176.094 0.012 0.000 1.059 524 V CA 2.068 64.380 62.300 0.020 0.000 1.051 524 V CB -0.726 31.108 31.823 0.018 0.000 0.658 524 V HN 0.384 nan 8.190 nan 0.000 0.455 525 A N -0.337 122.484 122.820 0.003 0.000 1.898 525 A HA -0.127 4.207 4.320 0.022 0.000 0.216 525 A C 2.192 179.778 177.584 0.003 0.000 1.181 525 A CA 1.661 53.688 52.037 -0.017 0.000 0.620 525 A CB -0.491 18.470 19.000 -0.065 0.000 0.819 525 A HN 0.507 nan 8.150 nan 0.000 0.442 526 L N -0.944 120.291 121.223 0.020 0.000 2.141 526 L HA -0.126 4.228 4.340 0.022 0.000 0.209 526 L C 2.836 179.721 176.870 0.025 0.000 1.094 526 L CA 0.902 55.759 54.840 0.028 0.000 0.763 526 L CB -0.322 41.760 42.059 0.038 0.000 0.908 526 L HN 0.428 nan 8.230 nan 0.000 0.437 527 A N -0.903 121.930 122.820 0.023 0.000 2.169 527 A HA -0.063 4.271 4.320 0.022 0.000 0.212 527 A C 1.033 178.630 177.584 0.021 0.000 1.153 527 A CA 0.272 52.323 52.037 0.022 0.000 0.756 527 A CB -0.431 18.582 19.000 0.021 0.000 0.813 527 A HN 0.334 nan 8.150 nan 0.000 0.471 528 N N 1.093 119.805 118.700 0.020 0.000 2.555 528 N HA 0.107 4.860 4.740 0.022 0.000 0.244 528 N C 0.857 176.383 175.510 0.026 0.000 1.114 528 N CA 0.764 53.828 53.050 0.022 0.000 0.963 528 N CB 0.560 39.059 38.487 0.019 0.000 1.276 528 N HN 0.256 nan 8.380 nan 0.000 0.510 529 T N -1.363 113.207 114.554 0.028 0.000 3.086 529 T HA 0.167 4.530 4.350 0.022 0.000 0.250 529 T C 0.331 175.053 174.700 0.036 0.000 1.074 529 T CA 0.093 62.211 62.100 0.031 0.000 0.988 529 T CB 0.188 69.072 68.868 0.027 0.000 0.988 529 T HN 0.118 nan 8.240 nan 0.000 0.530 530 D N 0.872 121.294 120.400 0.038 0.000 2.407 530 D HA 0.388 5.041 4.640 0.022 0.000 0.208 530 D C 0.915 177.246 176.300 0.052 0.000 1.083 530 D CA 0.378 54.404 54.000 0.043 0.000 0.844 530 D CB 0.982 41.805 40.800 0.039 0.000 0.967 530 D HN 0.646 nan 8.370 nan 0.000 0.506 531 G N 0.398 109.230 108.800 0.054 0.000 2.506 531 G HA2 0.366 4.339 3.960 0.022 0.000 0.292 531 G HA3 0.366 4.339 3.960 0.022 0.000 0.292 531 G C -3.088 171.849 174.900 0.061 0.000 1.425 531 G CA -0.980 44.159 45.100 0.065 0.000 0.788 531 G HN -0.302 nan 8.290 nan 0.000 0.490 532 P HA 0.339 nan 4.420 nan 0.000 0.272 532 P C -0.525 176.799 177.300 0.040 0.000 1.230 532 P CA 0.192 63.329 63.100 0.062 0.000 0.788 532 P CB 1.155 32.911 31.700 0.093 0.000 0.949 533 T N 2.411 116.964 114.554 -0.003 0.000 2.815 533 T HA 0.395 4.759 4.350 0.022 0.000 0.289 533 T C -0.220 174.429 174.700 -0.084 0.000 1.000 533 T CA -0.414 61.666 62.100 -0.033 0.000 0.958 533 T CB 0.527 69.360 68.868 -0.059 0.000 0.944 533 T HN 0.283 nan 8.240 nan 0.000 0.442 534 L N 5.242 126.436 121.223 -0.049 0.000 2.264 534 L HA 0.614 4.968 4.340 0.022 0.000 0.289 534 L C -0.924 175.881 176.870 -0.108 0.000 1.044 534 L CA -0.718 54.066 54.840 -0.094 0.000 0.807 534 L CB 0.322 42.358 42.059 -0.037 0.000 1.192 534 L HN 0.642 nan 8.230 nan 0.000 0.425 535 I N 5.169 125.630 120.570 -0.181 0.000 2.330 535 I HA 0.233 4.416 4.170 0.022 0.000 0.286 535 I C 0.039 176.123 176.117 -0.055 0.000 1.025 535 I CA -0.342 60.900 61.300 -0.098 0.000 1.197 535 I CB 1.344 39.270 38.000 -0.123 0.000 1.358 535 I HN 0.617 nan 8.210 nan 0.000 0.467 536 E N 6.270 126.457 120.200 -0.021 0.000 2.070 536 E HA 0.201 4.564 4.350 0.022 0.000 0.282 536 E C -1.072 175.493 176.600 -0.058 0.000 1.104 536 E CA -0.511 55.832 56.400 -0.095 0.000 0.876 536 E CB 0.571 30.246 29.700 -0.041 0.000 1.055 536 E HN 0.619 nan 8.360 nan 0.000 0.401 537 C N 5.730 124.964 119.300 -0.110 0.000 2.307 537 C HA 0.368 4.841 4.460 0.022 0.000 0.340 537 C C -0.361 174.560 174.990 -0.114 0.000 1.275 537 C CA -0.811 58.214 59.018 0.012 0.000 1.811 537 C CB -0.831 26.945 27.740 0.060 0.000 2.372 537 C HN 0.592 nan 8.230 nan 0.000 0.531 538 F N 4.859 124.830 119.950 0.035 0.000 2.371 538 F HA 0.629 5.170 4.527 0.023 0.000 0.363 538 F C 0.625 176.442 175.800 0.028 0.000 1.122 538 F CA -0.512 57.508 58.000 0.033 0.000 1.129 538 F CB 0.374 39.391 39.000 0.028 0.000 1.173 538 F HN 0.488 nan 8.300 nan 0.000 0.489 539 I N -0.537 120.117 120.570 0.140 0.000 3.074 539 I HA 0.942 5.126 4.170 0.022 0.000 0.310 539 I C 0.182 176.356 176.117 0.095 0.000 1.153 539 I CA -1.314 60.048 61.300 0.103 0.000 0.993 539 I CB 1.804 39.840 38.000 0.060 0.000 1.237 539 I HN 0.521 nan 8.210 nan 0.000 0.443 540 G N 1.286 110.131 108.800 0.076 0.000 2.539 540 G HA2 0.233 4.206 3.960 0.022 0.000 0.258 540 G HA3 0.233 4.206 3.960 0.022 0.000 0.258 540 G C 0.468 175.401 174.900 0.055 0.000 1.202 540 G CA -0.497 44.646 45.100 0.072 0.000 0.851 540 G HN 0.977 nan 8.290 nan 0.000 0.556 541 R N -0.122 120.411 120.500 0.056 0.000 2.081 541 R HA -0.077 4.276 4.340 0.022 0.000 0.235 541 R C 1.806 178.114 176.300 0.013 0.000 1.131 541 R CA 1.809 57.928 56.100 0.032 0.000 0.960 541 R CB -0.152 30.159 30.300 0.018 0.000 0.856 541 R HN 0.517 nan 8.270 nan 0.000 0.436 542 E N 0.604 120.810 120.200 0.010 0.000 2.482 542 E HA -0.078 4.285 4.350 0.022 0.000 0.196 542 E C -0.379 176.219 176.600 -0.003 0.000 1.047 542 E CA 0.539 56.937 56.400 -0.003 0.000 0.869 542 E CB 0.017 29.714 29.700 -0.005 0.000 0.836 542 E HN 0.271 nan 8.360 nan 0.000 0.520 543 D N 0.473 120.877 120.400 0.008 0.000 2.551 543 D HA 0.035 4.689 4.640 0.022 0.000 0.223 543 D C -0.739 175.563 176.300 0.003 0.000 1.144 543 D CA -0.276 53.728 54.000 0.007 0.000 1.025 543 D CB -0.578 40.234 40.800 0.019 0.000 1.085 543 D HN 0.143 nan 8.370 nan 0.000 0.506 544 C N 0.573 119.866 119.300 -0.011 0.000 3.108 544 C HA 0.859 5.332 4.460 0.022 0.000 0.321 544 C C 0.694 175.662 174.990 -0.035 0.000 1.357 544 C CA -0.737 58.270 59.018 -0.018 0.000 1.562 544 C CB 0.742 28.462 27.740 -0.034 0.000 2.003 544 C HN 0.478 nan 8.230 nan 0.000 0.460 545 T N -1.096 113.431 114.554 -0.044 0.000 2.903 545 T HA 0.211 4.574 4.350 0.022 0.000 0.314 545 T C 0.678 175.310 174.700 -0.113 0.000 1.078 545 T CA 0.310 62.377 62.100 -0.056 0.000 1.114 545 T CB 0.337 69.193 68.868 -0.020 0.000 0.987 545 T HN 0.820 nan 8.240 nan 0.000 0.548 546 E N 1.123 121.272 120.200 -0.085 0.000 2.110 546 E HA -0.155 4.208 4.350 0.022 0.000 0.193 546 E C 2.061 178.570 176.600 -0.153 0.000 0.988 546 E CA 1.334 57.678 56.400 -0.094 0.000 0.804 546 E CB -0.068 29.597 29.700 -0.057 0.000 0.745 546 E HN 0.788 nan 8.360 nan 0.000 0.458 547 E N 0.837 120.927 120.200 -0.182 0.000 2.077 547 E HA -0.196 4.167 4.350 0.022 0.000 0.193 547 E C 1.948 178.181 176.600 -0.611 0.000 0.989 547 E CA 0.672 56.911 56.400 -0.269 0.000 0.800 547 E CB -0.169 29.479 29.700 -0.087 0.000 0.746 547 E HN 0.109 nan 8.360 nan 0.000 0.452 548 L N 0.318 120.971 121.223 -0.950 0.000 2.042 548 L HA -0.168 4.185 4.340 0.022 0.000 0.210 548 L C 2.025 178.672 176.870 -0.372 0.000 1.076 548 L CA 1.523 55.716 54.840 -1.077 0.000 0.749 548 L CB -0.468 41.139 42.059 -0.753 0.000 0.893 548 L HN 0.025 nan 8.230 nan 0.000 0.432 549 V N -0.085 119.678 119.914 -0.252 0.000 2.295 549 V HA -0.297 3.836 4.120 0.022 0.000 0.246 549 V C 2.622 178.651 176.094 -0.108 0.000 1.049 549 V CA 2.209 64.428 62.300 -0.135 0.000 1.024 549 V CB -0.791 30.970 31.823 -0.104 0.000 0.648 549 V HN 0.465 nan 8.190 nan 0.000 0.447 550 K N -1.162 119.170 120.400 -0.115 0.000 2.002 550 K HA -0.259 4.074 4.320 0.022 0.000 0.209 550 K C 1.995 178.553 176.600 -0.071 0.000 1.048 550 K CA 2.178 58.416 56.287 -0.082 0.000 0.930 550 K CB -0.397 32.059 32.500 -0.072 0.000 0.714 550 K HN 0.601 nan 8.250 nan 0.000 0.438 551 W N 1.539 122.659 121.300 -0.300 0.000 2.338 551 W HA -0.151 4.522 4.660 0.021 0.000 0.304 551 W C 2.020 178.414 176.519 -0.208 0.000 1.212 551 W CA 2.080 59.248 57.345 -0.295 0.000 1.264 551 W CB -0.723 28.503 29.460 -0.391 0.000 1.142 551 W HN 0.132 nan 8.180 nan 0.000 0.512 552 G N 0.581 109.337 108.800 -0.074 0.000 2.469 552 G HA2 -0.341 3.633 3.960 0.022 0.000 0.219 552 G HA3 -0.341 3.633 3.960 0.022 0.000 0.219 552 G C 1.503 176.249 174.900 -0.257 0.000 1.150 552 G CA 1.362 46.337 45.100 -0.209 0.000 0.763 552 G HN 0.326 nan 8.290 nan 0.000 0.561 553 K N -0.280 120.016 120.400 -0.174 0.000 2.097 553 K HA -0.010 4.324 4.320 0.022 0.000 0.206 553 K C 2.793 179.295 176.600 -0.163 0.000 1.049 553 K CA 0.725 56.934 56.287 -0.129 0.000 0.933 553 K CB -0.064 32.386 32.500 -0.084 0.000 0.717 553 K HN 0.040 nan 8.250 nan 0.000 0.442 554 R N 0.529 120.892 120.500 -0.227 0.000 2.075 554 R HA -0.049 4.304 4.340 0.022 0.000 0.232 554 R C 2.328 178.462 176.300 -0.276 0.000 1.126 554 R CA 0.829 56.799 56.100 -0.218 0.000 0.963 554 R CB -0.964 29.200 30.300 -0.227 0.000 0.858 554 R HN 0.058 nan 8.270 nan 0.000 0.435 555 V N 1.544 121.161 119.914 -0.495 0.000 2.287 555 V HA -0.256 3.877 4.120 0.022 0.000 0.248 555 V C 2.552 178.512 176.094 -0.223 0.000 1.053 555 V CA 2.000 64.016 62.300 -0.473 0.000 1.027 555 V CB -0.897 30.378 31.823 -0.914 0.000 0.646 555 V HN 0.343 nan 8.190 nan 0.000 0.447 556 A N -0.211 122.492 122.820 -0.195 0.000 1.908 556 A HA -0.193 4.140 4.320 0.022 0.000 0.218 556 A C 2.411 179.957 177.584 -0.064 0.000 1.181 556 A CA 2.361 54.343 52.037 -0.092 0.000 0.627 556 A CB -0.835 18.135 19.000 -0.050 0.000 0.818 556 A HN 0.612 nan 8.150 nan 0.000 0.445 557 A N -0.245 122.536 122.820 -0.065 0.000 1.877 557 A HA 0.163 4.496 4.320 0.022 0.000 0.216 557 A C 2.534 180.119 177.584 0.003 0.000 1.186 557 A CA 2.166 54.185 52.037 -0.029 0.000 0.620 557 A CB -1.078 17.906 19.000 -0.028 0.000 0.822 557 A HN 1.093 nan 8.150 nan 0.000 0.443 558 A N 0.383 123.210 122.820 0.012 0.000 1.877 558 A HA -0.245 4.089 4.320 0.022 0.000 0.216 558 A C 1.901 179.538 177.584 0.089 0.000 1.186 558 A CA 1.796 53.894 52.037 0.101 0.000 0.620 558 A CB -0.979 18.090 19.000 0.114 0.000 0.822 558 A HN 0.731 nan 8.150 nan 0.000 0.443 559 N N 0.060 118.781 118.700 0.035 0.000 2.166 559 N HA -0.143 4.611 4.740 0.022 0.000 0.186 559 N C 1.684 177.196 175.510 0.003 0.000 1.019 559 N CA 1.500 54.565 53.050 0.025 0.000 0.856 559 N CB -0.116 38.368 38.487 -0.005 0.000 0.993 559 N HN 0.635 nan 8.380 nan 0.000 0.426 560 S N 0.915 116.607 115.700 -0.014 0.000 2.556 560 S HA 0.042 4.526 4.470 0.022 0.000 0.216 560 S C 0.521 175.114 174.600 -0.013 0.000 0.970 560 S CA -0.610 57.571 58.200 -0.030 0.000 0.912 560 S CB -0.106 63.060 63.200 -0.057 0.000 0.790 560 S HN 0.241 nan 8.310 nan 0.000 0.504 561 R N 2.513 123.017 120.500 0.008 0.000 2.538 561 R HA 0.117 4.470 4.340 0.022 0.000 0.282 561 R C -0.127 176.173 176.300 -0.000 0.000 1.009 561 R CA -0.377 55.728 56.100 0.009 0.000 1.063 561 R CB -0.094 30.221 30.300 0.025 0.000 0.945 561 R HN 0.410 nan 8.270 nan 0.000 0.414 562 K N 3.074 123.471 120.400 -0.005 0.000 2.397 562 K HA 0.161 4.494 4.320 0.022 0.000 0.265 562 K C -2.096 174.498 176.600 -0.011 0.000 0.982 562 K CA -1.168 55.113 56.287 -0.009 0.000 0.931 562 K CB -0.252 32.242 32.500 -0.009 0.000 0.943 562 K HN 0.380 nan 8.250 nan 0.000 0.501 563 P HA -0.024 nan 4.420 nan 0.000 0.265 563 P C -0.847 176.443 177.300 -0.016 0.000 1.193 563 P CA -0.354 62.737 63.100 -0.015 0.000 0.765 563 P CB 0.554 32.246 31.700 -0.014 0.000 0.823 564 V N 3.044 122.945 119.914 -0.021 0.000 2.732 564 V HA 0.097 4.230 4.120 0.022 0.000 0.297 564 V C 0.859 176.940 176.094 -0.020 0.000 1.060 564 V CA -0.552 61.735 62.300 -0.022 0.000 1.038 564 V CB 0.827 32.632 31.823 -0.030 0.000 1.003 564 V HN 0.587 nan 8.190 nan 0.000 0.481 565 N N 4.216 122.905 118.700 -0.018 0.000 2.438 565 N HA 0.207 4.961 4.740 0.022 0.000 0.267 565 N C -0.348 175.151 175.510 -0.018 0.000 1.222 565 N CA 0.262 53.302 53.050 -0.016 0.000 0.930 565 N CB -0.108 38.371 38.487 -0.014 0.000 1.083 565 N HN 0.749 nan 8.380 nan 0.000 0.476 566 K N 0.000 120.390 120.400 -0.017 0.000 2.780 566 K HA 0.000 4.333 4.320 0.022 0.000 0.191 566 K CA 0.000 56.276 56.287 -0.018 0.000 0.838 566 K CB 0.000 32.490 32.500 -0.017 0.000 1.064 566 K HN 0.000 nan 8.250 nan 0.000 0.543