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 1dgd_1_A DATA FIRST_RESID 3 DATA SEQUENCE LNDDATFWRN ARHHLVRYGG TFEPMIIERA KGSFVYDADG RAILDFTSGQ DATA SEQUENCE MSAVLGHCHP EIVSVIGEYA GKLDHLFSGM LSRPVVDLAT RLANITPPGL DATA SEQUENCE DRALLLSTGA ESNEAAIRMA KLVTGKYEIV GFAQSWHGMT GAAASATYSA DATA SEQUENCE GRKGVGPAAV GSFAIPAPFT YRPRFERNGA YDYLAELDYA FDLIDRQSSG DATA SEQUENCE NLAAFIAEPI LSSGGIIELP DGYMAALKRK CEARGMLLIL DEAQTGVGRT DATA SEQUENCE GTMFACQRDG VTPDILTLSK TLGAGLPLAA IVTSAAIEER AHELGYLFYT DATA SEQUENCE THVSDPLPAA VGLRVLDVVQ RDGLVARANV MGDRLRRGLL DLMERFDCIG DATA SEQUENCE DVRGRGLLLG VEIVKDRRTK EPADGLGAKI TRECMNLGLS MNIVQLPGMG DATA SEQUENCE GVFRIAPPLT VSEDEIDLGL SLLGQAIERA L VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 3 L HA 0.000 nan 4.340 nan 0.000 0.249 3 L C 0.000 176.885 176.870 0.025 0.000 1.165 3 L CA 0.000 54.850 54.840 0.016 0.000 0.813 3 L CB 0.000 42.075 42.059 0.027 0.000 0.961 4 N N 0.372 119.104 118.700 0.053 0.000 2.467 4 N HA 0.033 4.774 4.740 0.001 0.000 0.184 4 N C -0.510 175.168 175.510 0.279 0.000 1.106 4 N CA 0.447 53.565 53.050 0.113 0.000 0.892 4 N CB 0.212 38.771 38.487 0.120 0.000 0.969 4 N HN 0.464 nan 8.380 nan 0.000 0.454 5 D N 1.002 121.507 120.400 0.177 0.000 3.060 5 D HA -0.008 4.633 4.640 0.001 0.000 0.245 5 D C -0.290 176.165 176.300 0.258 0.000 1.274 5 D CA 0.072 54.193 54.000 0.201 0.000 0.864 5 D CB -0.277 40.566 40.800 0.072 0.000 1.073 5 D HN 0.059 nan 8.370 nan 0.000 0.473 6 D N 0.520 121.115 120.400 0.326 0.000 2.339 6 D HA 0.131 4.771 4.640 0.001 0.000 0.256 6 D C 1.127 177.623 176.300 0.327 0.000 1.214 6 D CA -0.297 53.837 54.000 0.223 0.000 0.877 6 D CB 1.412 42.267 40.800 0.093 0.000 1.111 6 D HN 0.097 nan 8.370 nan 0.000 0.478 7 A N 3.548 126.498 122.820 0.216 0.000 1.902 7 A HA -0.160 4.160 4.320 0.001 0.000 0.217 7 A C 2.073 179.745 177.584 0.146 0.000 1.181 7 A CA 1.691 53.845 52.037 0.194 0.000 0.623 7 A CB -0.455 18.614 19.000 0.115 0.000 0.818 7 A HN 0.653 nan 8.150 nan 0.000 0.443 8 T N -0.742 113.874 114.554 0.103 0.000 2.708 8 T HA -0.134 4.217 4.350 0.001 0.000 0.266 8 T C 1.616 176.321 174.700 0.009 0.000 1.037 8 T CA 1.466 63.593 62.100 0.045 0.000 1.146 8 T CB -0.459 68.433 68.868 0.040 0.000 0.865 8 T HN 0.463 nan 8.240 nan 0.000 0.435 9 F N 0.696 120.569 119.950 -0.127 0.000 2.043 9 F HA -0.184 4.344 4.527 0.001 0.000 0.297 9 F C 1.889 177.477 175.800 -0.353 0.000 1.121 9 F CA 1.443 59.260 58.000 -0.306 0.000 1.199 9 F CB -0.550 38.162 39.000 -0.479 0.000 0.968 9 F HN 0.197 nan 8.300 nan 0.000 0.478 10 W N 0.512 121.907 121.300 0.159 0.000 2.392 10 W HA -0.069 4.592 4.660 0.001 0.000 0.279 10 W C 2.723 179.144 176.519 -0.163 0.000 1.225 10 W CA 1.185 58.532 57.345 0.004 0.000 1.233 10 W CB -0.482 29.044 29.460 0.109 0.000 1.122 10 W HN -0.027 nan 8.180 nan 0.000 0.561 11 R N 0.881 121.367 120.500 -0.024 0.000 2.075 11 R HA -0.182 4.158 4.340 0.001 0.000 0.230 11 R C 1.958 177.958 176.300 -0.500 0.000 1.140 11 R CA 1.892 57.830 56.100 -0.270 0.000 0.928 11 R CB -0.739 29.417 30.300 -0.240 0.000 0.834 11 R HN 0.058 nan 8.270 nan 0.000 0.429 12 N N 0.527 119.004 118.700 -0.371 0.000 2.132 12 N HA -0.203 4.538 4.740 0.001 0.000 0.191 12 N C 1.528 176.869 175.510 -0.282 0.000 1.015 12 N CA 1.716 54.605 53.050 -0.269 0.000 0.864 12 N CB -0.380 37.997 38.487 -0.183 0.000 1.006 12 N HN 0.387 nan 8.380 nan 0.000 0.430 13 A N 1.032 123.611 122.820 -0.402 0.000 1.897 13 A HA -0.052 4.268 4.320 0.001 0.000 0.215 13 A C 2.233 179.756 177.584 -0.101 0.000 1.181 13 A CA 1.016 52.849 52.037 -0.339 0.000 0.620 13 A CB -0.280 18.417 19.000 -0.506 0.000 0.821 13 A HN 0.255 nan 8.150 nan 0.000 0.443 14 R N -1.266 119.200 120.500 -0.057 0.000 2.115 14 R HA -0.068 4.272 4.340 0.001 0.000 0.230 14 R C 1.930 178.259 176.300 0.048 0.000 1.111 14 R CA 1.373 57.498 56.100 0.042 0.000 0.976 14 R CB -0.350 29.995 30.300 0.075 0.000 0.870 14 R HN 0.593 nan 8.270 nan 0.000 0.445 15 H N -0.849 118.098 119.070 -0.205 0.000 2.448 15 H HA 0.071 4.628 4.556 0.001 0.000 0.292 15 H C 1.155 176.242 175.328 -0.401 0.000 1.035 15 H CA 0.905 56.723 56.048 -0.383 0.000 1.349 15 H CB 0.157 29.468 29.762 -0.751 0.000 1.425 15 H HN 0.280 nan 8.280 nan 0.000 0.539 16 H N -0.639 118.491 119.070 0.099 0.000 2.784 16 H HA 0.317 4.874 4.556 0.001 0.000 0.273 16 H C 0.129 175.479 175.328 0.037 0.000 1.112 16 H CA -0.074 56.005 56.048 0.051 0.000 1.162 16 H CB 1.149 30.917 29.762 0.011 0.000 1.586 16 H HN 0.096 nan 8.280 nan 0.000 0.548 17 L N 1.069 122.376 121.223 0.139 0.000 2.334 17 L HA 0.358 4.699 4.340 0.001 0.000 0.276 17 L C 0.111 177.107 176.870 0.210 0.000 1.014 17 L CA -1.004 53.933 54.840 0.160 0.000 0.815 17 L CB 2.734 44.874 42.059 0.135 0.000 1.268 17 L HN -0.214 nan 8.230 nan 0.000 0.428 18 V N 3.094 123.148 119.914 0.234 0.000 2.530 18 V HA 0.216 4.337 4.120 0.001 0.000 0.282 18 V C 0.424 176.689 176.094 0.285 0.000 1.048 18 V CA -0.361 62.071 62.300 0.221 0.000 0.997 18 V CB 1.080 33.028 31.823 0.208 0.000 0.987 18 V HN 0.654 nan 8.190 nan 0.000 0.477 19 R N 4.154 124.744 120.500 0.150 0.000 2.298 19 R HA 0.266 4.607 4.340 0.001 0.000 0.310 19 R C -0.298 176.002 176.300 -0.000 0.000 1.068 19 R CA -0.119 55.961 56.100 -0.035 0.000 0.957 19 R CB 0.417 30.656 30.300 -0.102 0.000 1.003 19 R HN 0.852 nan 8.270 nan 0.000 0.454 20 Y N -0.520 119.769 120.300 -0.018 0.000 2.706 20 Y HA 0.534 5.085 4.550 0.001 0.000 0.255 20 Y C 0.349 176.232 175.900 -0.030 0.000 1.163 20 Y CA -0.638 57.465 58.100 0.005 0.000 1.174 20 Y CB 0.713 39.208 38.460 0.058 0.000 1.200 20 Y HN 0.709 nan 8.280 nan 0.000 0.544 21 G N -0.585 108.108 108.800 -0.179 0.000 2.764 21 G HA2 0.449 4.409 3.960 0.001 0.000 0.678 21 G HA3 0.449 4.409 3.960 0.001 0.000 0.678 21 G C -0.088 174.649 174.900 -0.271 0.000 1.341 21 G CA -0.460 44.563 45.100 -0.128 0.000 0.836 21 G HN 1.407 nan 8.290 nan 0.000 0.632 22 G N -0.466 108.207 108.800 -0.211 0.000 2.542 22 G HA2 0.446 4.406 3.960 0.001 0.000 0.235 22 G HA3 0.446 4.406 3.960 0.001 0.000 0.235 22 G C 0.416 175.120 174.900 -0.327 0.000 1.286 22 G CA 1.066 46.028 45.100 -0.230 0.000 0.904 22 G HN 2.908 nan 8.290 nan 0.000 0.577 23 T N -1.023 113.332 114.554 -0.331 0.000 3.295 23 T HA 0.532 4.883 4.350 0.001 0.000 0.331 23 T C -0.531 174.041 174.700 -0.213 0.000 1.142 23 T CA -0.336 61.563 62.100 -0.335 0.000 1.078 23 T CB 0.285 69.054 68.868 -0.165 0.000 1.150 23 T HN 1.118 nan 8.240 nan 0.000 0.465 24 F N 3.682 123.631 119.950 -0.001 0.000 2.608 24 F HA 0.234 4.762 4.527 0.001 0.000 0.380 24 F C 1.540 177.406 175.800 0.109 0.000 1.083 24 F CA -0.221 57.835 58.000 0.093 0.000 1.266 24 F CB 0.361 39.487 39.000 0.211 0.000 1.076 24 F HN 0.473 nan 8.300 nan 0.000 0.574 25 E N 4.840 125.242 120.200 0.337 0.000 2.418 25 E HA 0.033 4.383 4.350 0.001 0.000 0.261 25 E C -1.876 174.887 176.600 0.273 0.000 1.070 25 E CA -1.284 55.247 56.400 0.218 0.000 0.931 25 E CB 0.066 29.880 29.700 0.190 0.000 0.954 25 E HN 0.257 nan 8.360 nan 0.000 0.439 26 P HA 0.157 nan 4.420 nan 0.000 0.218 26 P C -0.578 176.839 177.300 0.195 0.000 1.826 26 P CA 0.248 63.341 63.100 -0.012 0.000 0.946 26 P CB -0.105 31.486 31.700 -0.181 0.000 1.728 27 M N -0.709 119.112 119.600 0.368 0.000 2.691 27 M HA 0.564 5.045 4.480 0.001 0.000 0.293 27 M C -0.497 175.931 176.300 0.214 0.000 1.259 27 M CA -1.248 54.208 55.300 0.260 0.000 0.827 27 M CB 2.275 34.951 32.600 0.127 0.000 1.753 27 M HN -0.320 nan 8.290 nan 0.000 0.465 28 I N 2.707 123.264 120.570 -0.021 0.000 2.354 28 I HA 0.353 4.524 4.170 0.001 0.000 0.286 28 I C -0.689 175.345 176.117 -0.138 0.000 1.007 28 I CA -0.829 60.294 61.300 -0.295 0.000 1.167 28 I CB 1.293 38.879 38.000 -0.690 0.000 1.320 28 I HN 0.507 nan 8.210 nan 0.000 0.458 29 I N 6.317 126.843 120.570 -0.073 0.000 2.496 29 I HA 0.098 4.268 4.170 0.001 0.000 0.285 29 I C 1.181 177.278 176.117 -0.034 0.000 1.080 29 I CA 0.407 61.693 61.300 -0.022 0.000 1.404 29 I CB 0.986 38.987 38.000 0.002 0.000 1.403 29 I HN 0.681 nan 8.210 nan 0.000 0.539 30 E N 4.831 125.030 120.200 -0.001 0.000 2.399 30 E HA 0.172 4.523 4.350 0.001 0.000 0.205 30 E C 0.535 177.150 176.600 0.024 0.000 0.906 30 E CA 0.145 56.541 56.400 -0.006 0.000 0.998 30 E CB 1.234 30.926 29.700 -0.013 0.000 1.002 30 E HN 0.538 nan 8.360 nan 0.000 0.501 31 R N -0.430 120.117 120.500 0.079 0.000 2.692 31 R HA 0.607 4.948 4.340 0.001 0.000 0.269 31 R C -1.948 174.474 176.300 0.202 0.000 1.030 31 R CA -0.345 55.817 56.100 0.103 0.000 0.882 31 R CB 1.918 32.252 30.300 0.057 0.000 1.250 31 R HN 0.009 nan 8.270 nan 0.000 0.465 32 A N 2.464 125.375 122.820 0.153 0.000 2.486 32 A HA 0.762 5.082 4.320 0.001 0.000 0.300 32 A C -1.662 176.057 177.584 0.225 0.000 1.048 32 A CA -0.582 51.505 52.037 0.083 0.000 0.696 32 A CB 1.990 20.838 19.000 -0.254 0.000 1.278 32 A HN 0.502 nan 8.150 nan 0.000 0.405 33 K N 0.967 121.562 120.400 0.325 0.000 2.589 33 K HA 0.571 4.892 4.320 0.001 0.000 0.253 33 K C 0.427 177.244 176.600 0.362 0.000 0.974 33 K CA 0.919 57.407 56.287 0.335 0.000 0.835 33 K CB 1.117 33.794 32.500 0.295 0.000 1.272 33 K HN 2.428 nan 8.250 nan 0.000 0.444 34 G N 2.071 111.049 108.800 0.296 0.000 2.583 34 G HA2 -0.310 3.651 3.960 0.001 0.000 0.292 34 G HA3 -0.310 3.651 3.960 0.001 0.000 0.292 34 G C 0.216 175.265 174.900 0.249 0.000 1.203 34 G CA 0.350 45.597 45.100 0.245 0.000 0.987 34 G HN 0.746 nan 8.290 nan 0.000 0.554 35 S N 0.799 116.584 115.700 0.141 0.000 2.743 35 S HA 0.548 5.019 4.470 0.001 0.000 0.230 35 S C -0.232 174.160 174.600 -0.347 0.000 0.950 35 S CA 0.458 58.607 58.200 -0.086 0.000 0.976 35 S CB -0.272 62.774 63.200 -0.257 0.000 0.779 35 S HN 0.427 nan 8.310 nan 0.000 0.487 36 F N 0.697 120.687 119.950 0.067 0.000 2.599 36 F HA 0.594 5.122 4.527 0.001 0.000 0.311 36 F C -0.200 175.395 175.800 -0.341 0.000 1.076 36 F CA -1.366 56.528 58.000 -0.177 0.000 0.937 36 F CB 1.596 40.378 39.000 -0.363 0.000 1.282 36 F HN -0.107 nan 8.300 nan 0.000 0.460 37 V N -0.655 119.092 119.914 -0.278 0.000 2.815 37 V HA 0.678 4.799 4.120 0.001 0.000 0.314 37 V C -1.673 174.116 176.094 -0.509 0.000 1.064 37 V CA -1.094 61.017 62.300 -0.315 0.000 0.952 37 V CB 1.792 33.487 31.823 -0.214 0.000 1.020 37 V HN 0.652 nan 8.190 nan 0.000 0.439 38 Y N 1.238 121.535 120.300 -0.005 0.000 2.446 38 Y HA 0.632 5.182 4.550 0.001 0.000 0.345 38 Y C 0.141 176.029 175.900 -0.020 0.000 0.984 38 Y CA -0.809 57.288 58.100 -0.006 0.000 1.058 38 Y CB 1.637 40.083 38.460 -0.022 0.000 1.220 38 Y HN 0.967 nan 8.280 nan 0.000 0.455 39 D N 0.590 121.060 120.400 0.117 0.000 2.478 39 D HA 0.378 5.018 4.640 0.001 0.000 0.274 39 D C 1.046 177.368 176.300 0.036 0.000 1.234 39 D CA -0.262 53.770 54.000 0.053 0.000 1.069 39 D CB 0.438 41.258 40.800 0.035 0.000 1.113 39 D HN 0.526 nan 8.370 nan 0.000 0.571 40 A N -0.603 122.211 122.820 -0.010 0.000 2.015 40 A HA -0.135 4.186 4.320 0.001 0.000 0.219 40 A C 1.449 179.029 177.584 -0.007 0.000 1.163 40 A CA 1.322 53.340 52.037 -0.032 0.000 0.646 40 A CB -0.632 18.324 19.000 -0.073 0.000 0.806 40 A HN 0.534 nan 8.150 nan 0.000 0.448 41 D N -1.219 119.187 120.400 0.010 0.000 2.363 41 D HA 0.209 4.849 4.640 0.001 0.000 0.226 41 D C 1.428 177.741 176.300 0.022 0.000 1.020 41 D CA 1.134 55.141 54.000 0.012 0.000 0.892 41 D CB 0.082 40.891 40.800 0.014 0.000 0.900 41 D HN 0.606 nan 8.370 nan 0.000 0.531 42 G N 1.427 110.256 108.800 0.048 0.000 2.175 42 G HA2 -0.325 3.635 3.960 0.001 0.000 0.244 42 G HA3 -0.325 3.635 3.960 0.001 0.000 0.244 42 G C 0.520 175.516 174.900 0.160 0.000 0.982 42 G CA -0.083 45.062 45.100 0.075 0.000 0.641 42 G HN 0.375 nan 8.290 nan 0.000 0.527 43 R N 0.969 121.537 120.500 0.113 0.000 2.522 43 R HA 0.501 4.842 4.340 0.001 0.000 0.284 43 R C 0.738 177.094 176.300 0.094 0.000 1.032 43 R CA 0.583 56.735 56.100 0.086 0.000 1.049 43 R CB 0.203 30.527 30.300 0.040 0.000 0.956 43 R HN 0.627 nan 8.270 nan 0.000 0.422 44 A N 6.103 128.937 122.820 0.023 0.000 2.276 44 A HA 0.391 4.712 4.320 0.001 0.000 0.300 44 A C -0.359 177.185 177.584 -0.067 0.000 1.235 44 A CA -0.572 51.330 52.037 -0.225 0.000 0.867 44 A CB 0.339 19.135 19.000 -0.340 0.000 1.137 44 A HN 0.726 nan 8.150 nan 0.000 0.527 45 I N 2.749 123.273 120.570 -0.077 0.000 2.378 45 I HA 0.215 4.386 4.170 0.001 0.000 0.291 45 I C -0.336 175.814 176.117 0.056 0.000 0.992 45 I CA -0.708 60.601 61.300 0.015 0.000 1.154 45 I CB 1.812 39.789 38.000 -0.038 0.000 1.315 45 I HN 0.601 nan 8.210 nan 0.000 0.448 46 L N 6.420 127.633 121.223 -0.018 0.000 2.385 46 L HA 0.180 4.521 4.340 0.001 0.000 0.281 46 L C 0.233 176.988 176.870 -0.191 0.000 1.106 46 L CA 0.333 54.962 54.840 -0.351 0.000 0.856 46 L CB -0.032 41.783 42.059 -0.407 0.000 1.186 46 L HN 0.454 nan 8.230 nan 0.000 0.453 47 D N 4.506 124.831 120.400 -0.125 0.000 2.498 47 D HA -0.053 4.588 4.640 0.001 0.000 0.229 47 D C 0.488 176.900 176.300 0.187 0.000 1.188 47 D CA 0.118 54.152 54.000 0.057 0.000 1.028 47 D CB -0.049 40.836 40.800 0.143 0.000 1.087 47 D HN 0.422 nan 8.370 nan 0.000 0.510 48 F N 1.124 121.032 119.950 -0.070 0.000 2.725 48 F HA 0.022 4.550 4.527 0.001 0.000 0.303 48 F C 2.002 177.787 175.800 -0.025 0.000 1.167 48 F CA 0.374 58.338 58.000 -0.060 0.000 1.403 48 F CB -0.236 38.729 39.000 -0.058 0.000 1.077 48 F HN 0.276 nan 8.300 nan 0.000 0.537 49 T N -6.172 108.453 114.554 0.118 0.000 3.058 49 T HA 0.134 4.484 4.350 0.001 0.000 0.278 49 T C 0.834 175.550 174.700 0.026 0.000 0.974 49 T CA 0.473 62.605 62.100 0.052 0.000 0.893 49 T CB -0.122 68.788 68.868 0.070 0.000 1.138 49 T HN -0.097 nan 8.240 nan 0.000 0.529 50 S N 1.036 116.756 115.700 0.034 0.000 3.682 50 S HA 0.029 4.500 4.470 0.001 0.000 0.354 50 S C 1.447 176.059 174.600 0.020 0.000 1.034 50 S CA 0.979 59.172 58.200 -0.011 0.000 1.084 50 S CB -1.945 61.221 63.200 -0.057 0.000 0.903 50 S HN 1.915 nan 8.310 nan 0.000 0.470 51 G N 0.950 109.819 108.800 0.114 0.000 2.523 51 G HA2 -0.349 3.611 3.960 0.001 0.000 0.271 51 G HA3 -0.349 3.611 3.960 0.001 0.000 0.271 51 G C -0.177 174.775 174.900 0.086 0.000 1.146 51 G CA 0.636 45.820 45.100 0.141 0.000 0.961 51 G HN 0.885 nan 8.290 nan 0.000 0.549 52 Q N 1.206 121.049 119.800 0.070 0.000 3.041 52 Q HA 0.581 4.921 4.340 0.001 0.000 0.372 52 Q C 1.219 177.236 176.000 0.029 0.000 1.241 52 Q CA 0.529 56.361 55.803 0.049 0.000 1.010 52 Q CB -0.752 28.022 28.738 0.060 0.000 1.467 52 Q HN 0.687 nan 8.270 nan 0.000 0.462 53 M N -1.107 118.503 119.600 0.016 0.000 2.682 53 M HA -0.306 4.175 4.480 0.001 0.000 0.196 53 M C -0.018 176.281 176.300 -0.002 0.000 0.542 53 M CA 1.070 56.369 55.300 -0.001 0.000 0.593 53 M CB -3.040 29.558 32.600 -0.004 0.000 2.183 53 M HN 0.375 nan 8.290 nan 0.000 0.663 54 S N -0.291 115.407 115.700 -0.004 0.000 2.691 54 S HA 0.378 4.848 4.470 0.001 0.000 0.241 54 S C 1.274 175.846 174.600 -0.046 0.000 1.077 54 S CA 0.386 58.579 58.200 -0.011 0.000 0.900 54 S CB 0.316 63.520 63.200 0.007 0.000 0.805 54 S HN 0.718 nan 8.310 nan 0.000 0.529 55 A N 3.379 126.148 122.820 -0.085 0.000 3.270 55 A HA 0.177 4.497 4.320 0.001 0.000 0.271 55 A C 1.686 179.193 177.584 -0.128 0.000 2.082 55 A CA 0.268 52.212 52.037 -0.155 0.000 1.509 55 A CB -1.343 17.439 19.000 -0.363 0.000 0.851 55 A HN 0.544 nan 8.150 nan 0.000 0.589 56 V N -1.148 118.713 119.914 -0.089 0.000 2.546 56 V HA -0.216 3.905 4.120 0.001 0.000 0.254 56 V C 1.479 177.527 176.094 -0.075 0.000 1.076 56 V CA 2.058 64.310 62.300 -0.080 0.000 1.087 56 V CB -0.821 30.959 31.823 -0.073 0.000 0.674 56 V HN 0.612 nan 8.190 nan 0.000 0.470 57 L N 1.214 122.390 121.223 -0.078 0.000 2.700 57 L HA 0.653 4.993 4.340 0.001 0.000 0.234 57 L C 1.118 178.014 176.870 0.043 0.000 1.156 57 L CA 0.269 55.087 54.840 -0.036 0.000 0.946 57 L CB -0.602 41.362 42.059 -0.157 0.000 1.216 57 L HN 0.665 nan 8.230 nan 0.000 0.493 58 G N -0.181 108.589 108.800 -0.051 0.000 2.796 58 G HA2 -0.193 3.768 3.960 0.001 0.000 0.571 58 G HA3 -0.193 3.768 3.960 0.001 0.000 0.571 58 G C -0.557 174.265 174.900 -0.131 0.000 1.370 58 G CA -0.865 44.193 45.100 -0.070 0.000 0.856 58 G HN 0.236 nan 8.290 nan 0.000 0.538 59 H N -0.890 118.240 119.070 0.100 0.000 2.652 59 H HA 0.286 4.843 4.556 0.001 0.000 0.349 59 H C 1.485 176.885 175.328 0.121 0.000 1.099 59 H CA 0.801 56.913 56.048 0.106 0.000 1.417 59 H CB 0.621 30.450 29.762 0.112 0.000 1.457 59 H HN 1.246 nan 8.280 nan 0.000 0.568 60 C N 2.834 122.269 119.300 0.224 0.000 4.028 60 C HA -0.194 4.267 4.460 0.001 0.000 0.300 60 C C 1.157 176.244 174.990 0.161 0.000 1.399 60 C CA 0.256 59.377 59.018 0.172 0.000 2.051 60 C CB -3.063 24.770 27.740 0.156 0.000 1.318 60 C HN 0.762 nan 8.230 nan 0.000 0.696 61 H N 2.280 121.389 119.070 0.064 0.000 2.964 61 H HA 0.091 4.648 4.556 0.001 0.000 0.328 61 H C -0.860 174.497 175.328 0.048 0.000 1.030 61 H CA -0.420 55.658 56.048 0.050 0.000 1.445 61 H CB 1.203 30.982 29.762 0.029 0.000 1.449 61 H HN 0.227 nan 8.280 nan 0.000 0.581 62 P HA -0.174 nan 4.420 nan 0.000 0.217 62 P C 1.001 178.404 177.300 0.171 0.000 1.148 62 P CA 1.240 64.364 63.100 0.041 0.000 0.828 62 P CB 0.375 32.038 31.700 -0.061 0.000 0.783 63 E N -0.716 119.729 120.200 0.408 0.000 2.107 63 E HA -0.072 4.279 4.350 0.001 0.000 0.191 63 E C 2.042 178.742 176.600 0.167 0.000 0.982 63 E CA 0.819 57.373 56.400 0.257 0.000 0.809 63 E CB -0.396 29.444 29.700 0.233 0.000 0.756 63 E HN 0.251 nan 8.360 nan 0.000 0.459 64 I N 0.957 121.636 120.570 0.183 0.000 2.252 64 I HA -0.167 4.004 4.170 0.001 0.000 0.245 64 I C 2.543 178.723 176.117 0.105 0.000 1.102 64 I CA 0.697 62.056 61.300 0.098 0.000 1.385 64 I CB -1.211 36.834 38.000 0.076 0.000 1.064 64 I HN -0.083 nan 8.210 nan 0.000 0.414 65 V N 0.705 120.692 119.914 0.122 0.000 2.343 65 V HA -0.278 3.843 4.120 0.001 0.000 0.247 65 V C 2.812 178.960 176.094 0.089 0.000 1.051 65 V CA 2.181 64.538 62.300 0.096 0.000 1.036 65 V CB -0.728 31.146 31.823 0.085 0.000 0.654 65 V HN 0.498 nan 8.190 nan 0.000 0.451 66 S N -0.820 114.937 115.700 0.094 0.000 2.382 66 S HA -0.162 4.309 4.470 0.001 0.000 0.228 66 S C 2.029 176.692 174.600 0.104 0.000 1.027 66 S CA 1.919 60.170 58.200 0.085 0.000 0.991 66 S CB -0.130 63.120 63.200 0.082 0.000 0.823 66 S HN 0.352 nan 8.310 nan 0.000 0.469 67 V N 1.265 121.254 119.914 0.125 0.000 2.591 67 V HA 0.075 4.196 4.120 0.001 0.000 0.249 67 V C 2.080 178.308 176.094 0.223 0.000 1.053 67 V CA 1.490 63.901 62.300 0.184 0.000 1.068 67 V CB -0.481 31.435 31.823 0.154 0.000 0.689 67 V HN 0.635 nan 8.190 nan 0.000 0.462 68 I N 0.677 121.332 120.570 0.142 0.000 2.286 68 I HA -0.133 4.038 4.170 0.001 0.000 0.248 68 I C 2.494 178.693 176.117 0.136 0.000 1.115 68 I CA 1.502 62.879 61.300 0.129 0.000 1.392 68 I CB -0.994 37.059 38.000 0.087 0.000 1.065 68 I HN 0.460 nan 8.210 nan 0.000 0.418 69 G N 1.084 109.950 108.800 0.110 0.000 2.524 69 G HA2 -0.242 3.718 3.960 0.001 0.000 0.215 69 G HA3 -0.242 3.718 3.960 0.001 0.000 0.215 69 G C 1.365 176.303 174.900 0.062 0.000 1.239 69 G CA 0.865 46.011 45.100 0.076 0.000 0.798 69 G HN 0.459 nan 8.290 nan 0.000 0.557 70 E N -0.050 120.179 120.200 0.049 0.000 2.055 70 E HA -0.282 4.068 4.350 0.001 0.000 0.209 70 E C 2.293 178.793 176.600 -0.167 0.000 1.036 70 E CA 1.748 58.099 56.400 -0.081 0.000 0.849 70 E CB -0.558 29.032 29.700 -0.184 0.000 0.767 70 E HN 0.585 nan 8.360 nan 0.000 0.461 71 Y N 0.797 121.115 120.300 0.031 0.000 2.274 71 Y HA -0.137 4.414 4.550 0.002 0.000 0.290 71 Y C 2.582 178.505 175.900 0.038 0.000 1.145 71 Y CA 0.907 59.028 58.100 0.034 0.000 1.203 71 Y CB -0.509 37.973 38.460 0.036 0.000 0.984 71 Y HN 0.113 nan 8.280 nan 0.000 0.533 72 A N -0.143 122.775 122.820 0.165 0.000 1.972 72 A HA -0.108 4.213 4.320 0.001 0.000 0.219 72 A C 2.437 180.064 177.584 0.072 0.000 1.169 72 A CA 1.753 53.859 52.037 0.114 0.000 0.635 72 A CB -1.214 17.839 19.000 0.088 0.000 0.810 72 A HN 0.454 nan 8.150 nan 0.000 0.446 73 G N -1.413 107.408 108.800 0.034 0.000 3.042 73 G HA2 0.123 4.083 3.960 0.001 0.000 0.212 73 G HA3 0.123 4.083 3.960 0.001 0.000 0.212 73 G C 1.308 176.203 174.900 -0.008 0.000 1.166 73 G CA 0.811 45.918 45.100 0.012 0.000 0.767 73 G HN 0.562 nan 8.290 nan 0.000 0.546 74 K N -0.846 119.537 120.400 -0.029 0.000 2.312 74 K HA 0.402 4.722 4.320 0.001 0.000 0.206 74 K C -0.088 176.522 176.600 0.017 0.000 1.121 74 K CA -0.062 56.194 56.287 -0.052 0.000 0.923 74 K CB 0.381 32.762 32.500 -0.198 0.000 1.162 74 K HN 0.123 nan 8.250 nan 0.000 0.478 75 L N 2.325 123.604 121.223 0.093 0.000 2.482 75 L HA 0.219 4.559 4.340 0.001 0.000 0.269 75 L C -1.034 175.960 176.870 0.208 0.000 0.967 75 L CA -0.482 54.456 54.840 0.164 0.000 0.851 75 L CB 1.885 44.099 42.059 0.259 0.000 1.242 75 L HN 0.386 nan 8.230 nan 0.000 0.404 76 D N 0.901 121.400 120.400 0.165 0.000 3.105 76 D HA 0.060 4.700 4.640 0.001 0.000 0.291 76 D C 0.198 176.633 176.300 0.225 0.000 1.218 76 D CA 0.502 54.613 54.000 0.184 0.000 1.029 76 D CB 0.399 41.300 40.800 0.168 0.000 1.207 76 D HN 0.467 nan 8.370 nan 0.000 0.437 77 H N -0.644 118.491 119.070 0.109 0.000 2.771 77 H HA 0.690 5.246 4.556 0.001 0.000 0.361 77 H C -1.550 173.839 175.328 0.102 0.000 1.108 77 H CA -0.731 55.387 56.048 0.117 0.000 1.201 77 H CB 1.375 31.218 29.762 0.135 0.000 1.681 77 H HN 0.049 nan 8.280 nan 0.000 0.534 78 L N 3.380 124.240 121.223 -0.605 0.000 2.359 78 L HA 0.353 4.694 4.340 0.001 0.000 0.256 78 L C -0.536 176.114 176.870 -0.366 0.000 1.026 78 L CA -1.371 53.259 54.840 -0.349 0.000 0.828 78 L CB 1.533 43.530 42.059 -0.104 0.000 1.406 78 L HN 0.537 nan 8.230 nan 0.000 0.413 79 F N 0.984 120.799 119.950 -0.226 0.000 2.629 79 F HA -0.069 4.459 4.527 0.001 0.000 0.377 79 F C 1.611 177.366 175.800 -0.075 0.000 1.101 79 F CA 0.317 58.244 58.000 -0.121 0.000 1.301 79 F CB 0.934 39.898 39.000 -0.060 0.000 1.062 79 F HN 0.634 nan 8.300 nan 0.000 0.583 80 S N 2.834 117.947 115.700 -0.979 0.000 2.423 80 S HA -0.176 4.295 4.470 0.001 0.000 0.238 80 S C 1.925 176.224 174.600 -0.503 0.000 1.028 80 S CA 1.045 58.878 58.200 -0.612 0.000 1.000 80 S CB -1.131 61.856 63.200 -0.354 0.000 0.797 80 S HN 0.901 nan 8.310 nan 0.000 0.487 81 G N 0.226 108.583 108.800 -0.739 0.000 2.985 81 G HA2 0.371 4.332 3.960 0.001 0.000 0.209 81 G HA3 0.371 4.332 3.960 0.001 0.000 0.209 81 G C 0.260 175.170 174.900 0.016 0.000 1.165 81 G CA -0.420 44.583 45.100 -0.161 0.000 0.776 81 G HN 0.475 nan 8.290 nan 0.000 0.541 82 M N 1.352 120.957 119.600 0.008 0.000 2.129 82 M HA 0.412 4.893 4.480 0.001 0.000 0.348 82 M C -0.497 175.812 176.300 0.015 0.000 1.116 82 M CA -0.267 55.067 55.300 0.057 0.000 1.022 82 M CB 2.063 34.722 32.600 0.098 0.000 1.599 82 M HN -0.137 nan 8.290 nan 0.000 0.449 83 L N 2.152 123.389 121.223 0.022 0.000 2.421 83 L HA 0.633 4.973 4.340 0.001 0.000 0.263 83 L C 0.339 177.224 176.870 0.025 0.000 1.122 83 L CA -0.327 54.522 54.840 0.015 0.000 0.804 83 L CB 1.511 43.578 42.059 0.013 0.000 1.150 83 L HN 0.796 nan 8.230 nan 0.000 0.457 84 S N -0.018 115.696 115.700 0.025 0.000 2.651 84 S HA 0.482 4.953 4.470 0.001 0.000 0.279 84 S C 0.340 174.962 174.600 0.036 0.000 1.148 84 S CA -1.065 57.159 58.200 0.039 0.000 0.837 84 S CB 1.909 65.141 63.200 0.053 0.000 1.138 84 S HN 0.569 nan 8.310 nan 0.000 0.478 85 R N 0.305 120.837 120.500 0.053 0.000 2.075 85 R HA 0.050 4.390 4.340 0.001 0.000 0.232 85 R C -1.075 175.242 176.300 0.028 0.000 1.126 85 R CA 1.311 57.439 56.100 0.047 0.000 0.963 85 R CB -1.707 28.631 30.300 0.064 0.000 0.858 85 R HN 0.491 nan 8.270 nan 0.000 0.435 86 P HA -0.073 nan 4.420 nan 0.000 0.218 86 P C 1.506 178.781 177.300 -0.041 0.000 1.149 86 P CA 0.900 63.970 63.100 -0.050 0.000 0.817 86 P CB 0.010 31.603 31.700 -0.179 0.000 0.785 87 V N -0.231 119.669 119.914 -0.023 0.000 2.261 87 V HA -0.191 3.929 4.120 0.001 0.000 0.246 87 V C 2.525 178.613 176.094 -0.010 0.000 1.047 87 V CA 1.791 64.082 62.300 -0.015 0.000 1.015 87 V CB -1.254 30.566 31.823 -0.006 0.000 0.642 87 V HN -0.051 nan 8.190 nan 0.000 0.446 88 V N 0.336 120.248 119.914 -0.003 0.000 2.407 88 V HA -0.236 3.884 4.120 0.001 0.000 0.248 88 V C 2.228 178.321 176.094 -0.002 0.000 1.055 88 V CA 2.097 64.395 62.300 -0.002 0.000 1.049 88 V CB -0.727 31.098 31.823 0.003 0.000 0.662 88 V HN 0.571 nan 8.190 nan 0.000 0.455 89 D N -0.222 120.177 120.400 -0.000 0.000 2.144 89 D HA -0.110 4.531 4.640 0.001 0.000 0.200 89 D C 1.918 178.215 176.300 -0.004 0.000 0.978 89 D CA 0.902 54.902 54.000 0.001 0.000 0.833 89 D CB -0.164 40.640 40.800 0.005 0.000 0.961 89 D HN 0.358 nan 8.370 nan 0.000 0.470 90 L N 0.921 122.137 121.223 -0.011 0.000 2.072 90 L HA 0.068 4.408 4.340 0.001 0.000 0.205 90 L C 2.098 178.966 176.870 -0.004 0.000 1.079 90 L CA 1.433 56.268 54.840 -0.010 0.000 0.752 90 L CB -0.861 41.187 42.059 -0.019 0.000 0.906 90 L HN -0.046 nan 8.230 nan 0.000 0.436 91 A N -1.315 121.500 122.820 -0.008 0.000 1.883 91 A HA -0.214 4.107 4.320 0.001 0.000 0.217 91 A C 2.250 179.827 177.584 -0.010 0.000 1.186 91 A CA 2.411 54.440 52.037 -0.012 0.000 0.624 91 A CB -1.264 17.727 19.000 -0.017 0.000 0.822 91 A HN 0.505 nan 8.150 nan 0.000 0.444 92 T N -0.666 113.884 114.554 -0.006 0.000 2.708 92 T HA -0.165 4.185 4.350 0.001 0.000 0.266 92 T C 2.099 176.801 174.700 0.004 0.000 1.037 92 T CA 1.761 63.859 62.100 -0.004 0.000 1.146 92 T CB -0.257 68.611 68.868 -0.001 0.000 0.865 92 T HN 0.499 nan 8.240 nan 0.000 0.435 93 R N 1.058 121.563 120.500 0.009 0.000 2.096 93 R HA -0.006 4.334 4.340 0.001 0.000 0.240 93 R C 2.263 178.584 176.300 0.034 0.000 1.139 93 R CA 1.460 57.572 56.100 0.020 0.000 0.952 93 R CB -0.982 29.330 30.300 0.020 0.000 0.854 93 R HN 0.400 nan 8.270 nan 0.000 0.436 94 L N -0.422 120.818 121.223 0.029 0.000 2.083 94 L HA -0.117 4.224 4.340 0.001 0.000 0.209 94 L C 2.475 179.348 176.870 0.005 0.000 1.083 94 L CA 1.286 56.147 54.840 0.035 0.000 0.752 94 L CB -0.582 41.483 42.059 0.010 0.000 0.899 94 L HN 0.360 nan 8.230 nan 0.000 0.433 95 A N 0.306 123.120 122.820 -0.009 0.000 1.898 95 A HA -0.188 4.133 4.320 0.001 0.000 0.216 95 A C 2.014 179.596 177.584 -0.003 0.000 1.181 95 A CA 1.730 53.754 52.037 -0.022 0.000 0.620 95 A CB -0.490 18.496 19.000 -0.024 0.000 0.819 95 A HN 0.448 nan 8.150 nan 0.000 0.442 96 N N 0.394 119.103 118.700 0.014 0.000 2.309 96 N HA -0.087 4.653 4.740 0.001 0.000 0.182 96 N C 1.556 177.095 175.510 0.048 0.000 1.018 96 N CA 1.655 54.719 53.050 0.024 0.000 0.876 96 N CB -0.379 38.121 38.487 0.022 0.000 0.972 96 N HN 0.819 nan 8.380 nan 0.000 0.434 97 I N -1.399 119.221 120.570 0.084 0.000 3.956 97 I HA 0.156 4.326 4.170 0.001 0.000 0.333 97 I C -0.003 176.260 176.117 0.243 0.000 1.302 97 I CA -0.091 61.296 61.300 0.146 0.000 1.122 97 I CB -0.144 37.952 38.000 0.160 0.000 1.013 97 I HN -0.186 nan 8.210 nan 0.000 0.405 98 T N -0.203 114.423 114.554 0.121 0.000 2.927 98 T HA 0.542 4.892 4.350 0.001 0.000 0.281 98 T C -2.502 172.203 174.700 0.008 0.000 0.998 98 T CA -1.799 60.304 62.100 0.005 0.000 1.019 98 T CB 1.023 69.748 68.868 -0.239 0.000 1.061 98 T HN -0.095 nan 8.240 nan 0.000 0.518 99 P HA 0.220 nan 4.420 nan 0.000 0.270 99 P C -2.547 174.739 177.300 -0.022 0.000 1.227 99 P CA -1.173 61.926 63.100 -0.001 0.000 0.788 99 P CB -0.963 30.733 31.700 -0.006 0.000 0.926 100 P HA 0.134 nan 4.420 nan 0.000 0.271 100 P C 0.928 178.210 177.300 -0.031 0.000 1.216 100 P CA 0.957 64.045 63.100 -0.019 0.000 0.776 100 P CB 0.177 31.869 31.700 -0.012 0.000 0.881 101 G N 1.845 110.623 108.800 -0.037 0.000 2.253 101 G HA2 -0.168 3.793 3.960 0.001 0.000 0.209 101 G HA3 -0.168 3.793 3.960 0.001 0.000 0.209 101 G C -0.302 174.562 174.900 -0.059 0.000 0.997 101 G CA -0.481 44.592 45.100 -0.045 0.000 0.640 101 G HN 0.459 nan 8.290 nan 0.000 0.496 102 L N 1.833 123.015 121.223 -0.068 0.000 2.295 102 L HA 0.522 4.863 4.340 0.001 0.000 0.281 102 L C -0.046 176.779 176.870 -0.074 0.000 1.018 102 L CA -0.678 54.109 54.840 -0.088 0.000 0.841 102 L CB 1.342 43.326 42.059 -0.125 0.000 1.218 102 L HN 0.079 nan 8.230 nan 0.000 0.424 103 D N 1.589 121.947 120.400 -0.070 0.000 2.457 103 D HA 0.129 4.769 4.640 0.001 0.000 0.254 103 D C 0.476 176.741 176.300 -0.059 0.000 1.097 103 D CA 0.139 54.105 54.000 -0.057 0.000 0.870 103 D CB 1.133 41.902 40.800 -0.051 0.000 1.253 103 D HN 0.290 nan 8.370 nan 0.000 0.500 104 R N 0.624 121.082 120.500 -0.071 0.000 2.494 104 R HA 0.689 5.030 4.340 0.001 0.000 0.305 104 R C -0.901 175.353 176.300 -0.076 0.000 0.959 104 R CA -0.251 55.807 56.100 -0.071 0.000 0.864 104 R CB 2.311 32.564 30.300 -0.079 0.000 1.159 104 R HN -0.033 nan 8.270 nan 0.000 0.446 105 A N 2.624 125.408 122.820 -0.062 0.000 2.354 105 A HA 0.741 5.062 4.320 0.001 0.000 0.321 105 A C -1.655 175.902 177.584 -0.044 0.000 1.125 105 A CA -0.612 51.390 52.037 -0.058 0.000 0.799 105 A CB 1.327 20.300 19.000 -0.045 0.000 1.293 105 A HN 0.519 nan 8.150 nan 0.000 0.452 106 L N 1.609 122.807 121.223 -0.042 0.000 2.376 106 L HA 0.593 4.934 4.340 0.001 0.000 0.275 106 L C -1.349 175.518 176.870 -0.005 0.000 0.987 106 L CA -0.196 54.633 54.840 -0.018 0.000 0.828 106 L CB 1.268 43.311 42.059 -0.026 0.000 1.249 106 L HN 0.592 nan 8.230 nan 0.000 0.409 107 L N 6.599 127.832 121.223 0.016 0.000 2.257 107 L HA 0.504 4.844 4.340 0.001 0.000 0.290 107 L C -0.296 176.610 176.870 0.060 0.000 1.044 107 L CA -0.235 54.621 54.840 0.027 0.000 0.810 107 L CB 0.928 42.999 42.059 0.020 0.000 1.193 107 L HN 0.635 nan 8.230 nan 0.000 0.425 108 L N 1.066 122.329 121.223 0.066 0.000 2.535 108 L HA 0.543 4.883 4.340 0.001 0.000 0.259 108 L C 0.924 177.852 176.870 0.097 0.000 1.263 108 L CA -0.374 54.531 54.840 0.108 0.000 1.282 108 L CB 1.329 43.460 42.059 0.120 0.000 1.901 108 L HN 0.448 nan 8.230 nan 0.000 0.572 109 S N -1.901 113.865 115.700 0.111 0.000 2.599 109 S HA 0.119 4.589 4.470 0.001 0.000 0.236 109 S C 0.263 174.899 174.600 0.061 0.000 1.077 109 S CA 0.335 58.581 58.200 0.076 0.000 0.906 109 S CB 0.659 63.909 63.200 0.082 0.000 0.804 109 S HN 0.813 nan 8.310 nan 0.000 0.497 110 T N -1.745 112.854 114.554 0.075 0.000 2.887 110 T HA 0.644 4.994 4.350 0.001 0.000 0.292 110 T C 1.247 175.985 174.700 0.063 0.000 1.087 110 T CA -0.085 62.054 62.100 0.066 0.000 1.009 110 T CB 1.336 70.244 68.868 0.066 0.000 1.203 110 T HN 0.009 nan 8.240 nan 0.000 0.518 111 G N 0.258 109.097 108.800 0.066 0.000 2.440 111 G HA2 0.017 3.978 3.960 0.001 0.000 0.218 111 G HA3 0.017 3.978 3.960 0.001 0.000 0.218 111 G C 1.670 176.594 174.900 0.040 0.000 1.154 111 G CA 0.926 46.065 45.100 0.064 0.000 0.767 111 G HN 1.168 nan 8.290 nan 0.000 0.552 112 A N 0.539 123.377 122.820 0.031 0.000 1.930 112 A HA 0.024 4.344 4.320 0.001 0.000 0.217 112 A C 2.146 179.752 177.584 0.038 0.000 1.175 112 A CA 1.882 53.923 52.037 0.007 0.000 0.627 112 A CB -0.358 18.636 19.000 -0.009 0.000 0.815 112 A HN 0.447 nan 8.150 nan 0.000 0.443 113 E N 0.105 120.351 120.200 0.077 0.000 2.077 113 E HA -0.170 4.181 4.350 0.001 0.000 0.193 113 E C 2.449 179.058 176.600 0.015 0.000 0.989 113 E CA 1.480 57.965 56.400 0.142 0.000 0.800 113 E CB -0.147 29.669 29.700 0.193 0.000 0.746 113 E HN 0.805 nan 8.360 nan 0.000 0.452 114 S N 1.246 116.940 115.700 -0.011 0.000 2.359 114 S HA -0.185 4.285 4.470 0.001 0.000 0.224 114 S C 1.750 176.288 174.600 -0.104 0.000 1.035 114 S CA 1.268 59.424 58.200 -0.073 0.000 1.018 114 S CB -0.366 62.819 63.200 -0.026 0.000 0.876 114 S HN 0.170 nan 8.310 nan 0.000 0.448 115 N N 1.526 120.190 118.700 -0.059 0.000 2.244 115 N HA -0.018 4.723 4.740 0.001 0.000 0.183 115 N C 1.812 177.269 175.510 -0.089 0.000 1.016 115 N CA 1.196 54.200 53.050 -0.077 0.000 0.866 115 N CB -0.367 38.084 38.487 -0.059 0.000 0.980 115 N HN 0.589 nan 8.380 nan 0.000 0.430 116 E N 1.116 121.280 120.200 -0.060 0.000 2.047 116 E HA -0.048 4.303 4.350 0.001 0.000 0.191 116 E C 1.953 178.487 176.600 -0.110 0.000 0.987 116 E CA 0.738 57.133 56.400 -0.009 0.000 0.799 116 E CB -0.195 29.596 29.700 0.151 0.000 0.752 116 E HN 0.274 nan 8.360 nan 0.000 0.449 117 A N 1.730 124.278 122.820 -0.453 0.000 1.917 117 A HA -0.193 4.128 4.320 0.001 0.000 0.219 117 A C 2.418 179.856 177.584 -0.244 0.000 1.182 117 A CA 2.310 53.881 52.037 -0.776 0.000 0.633 117 A CB -0.617 17.705 19.000 -1.130 0.000 0.819 117 A HN 0.289 nan 8.150 nan 0.000 0.448 118 A N -0.280 122.422 122.820 -0.197 0.000 1.873 118 A HA -0.039 4.282 4.320 0.001 0.000 0.215 118 A C 2.141 179.678 177.584 -0.079 0.000 1.186 118 A CA 1.468 53.425 52.037 -0.134 0.000 0.616 118 A CB -0.585 18.341 19.000 -0.123 0.000 0.823 118 A HN 0.485 nan 8.150 nan 0.000 0.442 119 I N -0.597 119.936 120.570 -0.062 0.000 2.286 119 I HA -0.262 3.908 4.170 0.001 0.000 0.248 119 I C 2.730 178.864 176.117 0.028 0.000 1.115 119 I CA 1.675 62.959 61.300 -0.027 0.000 1.392 119 I CB -0.301 37.678 38.000 -0.035 0.000 1.065 119 I HN 0.445 nan 8.210 nan 0.000 0.418 120 R N 1.270 121.814 120.500 0.074 0.000 2.073 120 R HA -0.221 4.120 4.340 0.001 0.000 0.234 120 R C 2.360 178.786 176.300 0.210 0.000 1.134 120 R CA 1.740 57.937 56.100 0.162 0.000 0.952 120 R CB -0.360 30.072 30.300 0.219 0.000 0.850 120 R HN 0.254 nan 8.270 nan 0.000 0.433 121 M N 0.492 120.207 119.600 0.192 0.000 2.080 121 M HA -0.160 4.321 4.480 0.001 0.000 0.260 121 M C 2.234 178.522 176.300 -0.021 0.000 1.068 121 M CA 2.226 57.515 55.300 -0.018 0.000 1.109 121 M CB -0.163 32.242 32.600 -0.324 0.000 1.342 121 M HN 0.391 nan 8.290 nan 0.000 0.405 122 A N -0.102 122.706 122.820 -0.020 0.000 1.972 122 A HA -0.190 4.130 4.320 0.001 0.000 0.219 122 A C 2.000 179.595 177.584 0.019 0.000 1.169 122 A CA 1.843 53.871 52.037 -0.014 0.000 0.635 122 A CB -0.487 18.502 19.000 -0.018 0.000 0.810 122 A HN 0.559 nan 8.150 nan 0.000 0.446 123 K N -1.123 119.307 120.400 0.049 0.000 2.076 123 K HA 0.048 4.369 4.320 0.001 0.000 0.204 123 K C 1.877 178.522 176.600 0.074 0.000 1.051 123 K CA 0.926 57.257 56.287 0.072 0.000 0.949 123 K CB -0.259 32.298 32.500 0.096 0.000 0.726 123 K HN 0.360 nan 8.250 nan 0.000 0.443 124 L N 0.948 122.224 121.223 0.088 0.000 1.976 124 L HA -0.170 4.170 4.340 0.001 0.000 0.209 124 L C 2.030 178.932 176.870 0.053 0.000 1.071 124 L CA 1.575 56.469 54.840 0.090 0.000 0.746 124 L CB -0.529 41.623 42.059 0.154 0.000 0.890 124 L HN -0.093 nan 8.230 nan 0.000 0.432 125 V N -0.337 119.594 119.914 0.028 0.000 2.469 125 V HA -0.302 3.818 4.120 0.001 0.000 0.251 125 V C 2.480 178.578 176.094 0.006 0.000 1.064 125 V CA 2.201 64.503 62.300 0.004 0.000 1.066 125 V CB -1.004 30.802 31.823 -0.028 0.000 0.667 125 V HN 0.820 nan 8.190 nan 0.000 0.461 126 T N -4.000 110.562 114.554 0.013 0.000 3.037 126 T HA 0.301 4.651 4.350 0.001 0.000 0.251 126 T C 1.636 176.349 174.700 0.021 0.000 1.079 126 T CA 0.943 63.048 62.100 0.010 0.000 1.067 126 T CB 0.717 69.588 68.868 0.005 0.000 0.948 126 T HN 0.889 nan 8.240 nan 0.000 0.496 127 G N 1.374 110.197 108.800 0.038 0.000 2.184 127 G HA2 -0.270 3.691 3.960 0.001 0.000 0.264 127 G HA3 -0.270 3.691 3.960 0.001 0.000 0.264 127 G C 0.048 174.992 174.900 0.073 0.000 0.975 127 G CA 0.590 45.722 45.100 0.053 0.000 0.642 127 G HN 0.692 nan 8.290 nan 0.000 0.536 128 K N -1.440 118.992 120.400 0.053 0.000 2.288 128 K HA 0.728 5.048 4.320 0.001 0.000 0.234 128 K C 0.583 177.235 176.600 0.087 0.000 1.037 128 K CA -0.391 55.912 56.287 0.027 0.000 0.914 128 K CB 0.680 33.144 32.500 -0.060 0.000 1.197 128 K HN 0.421 nan 8.250 nan 0.000 0.471 129 Y N -2.219 118.102 120.300 0.035 0.000 2.590 129 Y HA 0.407 4.957 4.550 0.001 0.000 0.263 129 Y C -0.541 175.373 175.900 0.024 0.000 1.069 129 Y CA -0.698 57.416 58.100 0.024 0.000 1.242 129 Y CB 0.148 38.616 38.460 0.013 0.000 1.357 129 Y HN 0.353 nan 8.280 nan 0.000 0.556 130 E N 2.838 122.849 120.200 -0.315 0.000 2.290 130 E HA 0.275 4.626 4.350 0.001 0.000 0.277 130 E C -0.559 176.057 176.600 0.026 0.000 1.035 130 E CA -0.159 56.194 56.400 -0.078 0.000 0.873 130 E CB 1.120 30.831 29.700 0.017 0.000 1.029 130 E HN 0.203 nan 8.360 nan 0.000 0.419 131 I N 3.653 124.239 120.570 0.026 0.000 2.404 131 I HA 0.280 4.450 4.170 0.001 0.000 0.293 131 I C -0.208 175.886 176.117 -0.039 0.000 0.992 131 I CA -0.771 60.521 61.300 -0.014 0.000 1.149 131 I CB 1.491 39.465 38.000 -0.042 0.000 1.315 131 I HN 0.241 nan 8.210 nan 0.000 0.446 132 V N 4.782 124.596 119.914 -0.167 0.000 2.513 132 V HA 0.904 5.025 4.120 0.001 0.000 0.299 132 V C 0.456 175.993 176.094 -0.928 0.000 1.035 132 V CA -0.371 61.700 62.300 -0.381 0.000 0.889 132 V CB 1.668 33.303 31.823 -0.314 0.000 0.988 132 V HN 0.994 nan 8.190 nan 0.000 0.440 133 G N 1.834 110.160 108.800 -0.790 0.000 2.866 133 G HA2 0.725 4.686 3.960 0.001 0.000 0.289 133 G HA3 0.725 4.686 3.960 0.001 0.000 0.289 133 G C -1.711 172.863 174.900 -0.544 0.000 1.396 133 G CA -0.646 43.996 45.100 -0.763 0.000 0.848 133 G HN 0.296 nan 8.290 nan 0.000 0.515 134 F N 0.279 120.201 119.950 -0.046 0.000 2.379 134 F HA 0.539 5.067 4.527 0.001 0.000 0.332 134 F C 1.550 177.291 175.800 -0.099 0.000 1.096 134 F CA -0.101 57.900 58.000 0.001 0.000 1.105 134 F CB 2.007 41.085 39.000 0.129 0.000 1.189 134 F HN 0.519 nan 8.300 nan 0.000 0.515 135 A N 1.395 124.276 122.820 0.102 0.000 2.216 135 A HA -0.090 4.230 4.320 0.001 0.000 0.214 135 A C 1.308 178.989 177.584 0.163 0.000 1.160 135 A CA 1.176 53.217 52.037 0.006 0.000 0.725 135 A CB -0.535 18.478 19.000 0.022 0.000 0.784 135 A HN 0.815 nan 8.150 nan 0.000 0.472 136 Q N -0.355 119.556 119.800 0.184 0.000 2.139 136 Q HA 0.151 4.492 4.340 0.001 0.000 0.219 136 Q C 0.524 176.624 176.000 0.167 0.000 0.805 136 Q CA 0.357 56.237 55.803 0.129 0.000 1.024 136 Q CB 0.854 29.587 28.738 -0.009 0.000 1.163 136 Q HN 0.617 nan 8.270 nan 0.000 0.485 137 S N -0.331 115.529 115.700 0.267 0.000 2.587 137 S HA 0.195 4.665 4.470 0.001 0.000 0.260 137 S C -0.475 174.181 174.600 0.094 0.000 1.353 137 S CA -0.480 57.822 58.200 0.169 0.000 0.995 137 S CB 0.737 64.102 63.200 0.275 0.000 0.912 137 S HN 0.479 nan 8.310 nan 0.000 0.568 138 W N 2.384 123.450 121.300 -0.391 0.000 2.740 138 W HA 0.318 4.979 4.660 0.001 0.000 0.316 138 W C -1.094 175.134 176.519 -0.486 0.000 1.020 138 W CA -0.440 56.723 57.345 -0.302 0.000 1.278 138 W CB 0.750 30.121 29.460 -0.149 0.000 1.224 138 W HN 0.961 nan 8.180 nan 0.000 0.393 139 H N 3.033 121.793 119.070 -0.517 0.000 2.893 139 H HA 0.335 4.892 4.556 0.001 0.000 0.270 139 H C 1.076 176.096 175.328 -0.514 0.000 1.095 139 H CA 0.809 56.642 56.048 -0.359 0.000 1.186 139 H CB 1.690 31.352 29.762 -0.166 0.000 1.562 139 H HN 0.519 nan 8.280 nan 0.000 0.536 140 G N 0.553 108.768 108.800 -0.975 0.000 2.355 140 G HA2 -0.118 3.843 3.960 0.001 0.000 0.619 140 G HA3 -0.118 3.843 3.960 0.001 0.000 0.619 140 G C 0.265 174.807 174.900 -0.596 0.000 1.337 140 G CA -0.415 44.306 45.100 -0.631 0.000 0.993 140 G HN -0.002 nan 8.290 nan 0.000 0.599 141 M N 0.410 119.830 119.600 -0.300 0.000 2.465 141 M HA 0.150 4.631 4.480 0.001 0.000 0.249 141 M C 1.524 177.755 176.300 -0.115 0.000 1.130 141 M CA 1.186 56.371 55.300 -0.192 0.000 1.067 141 M CB 0.146 32.721 32.600 -0.043 0.000 1.394 141 M HN 0.877 nan 8.290 nan 0.000 0.483 142 T N -1.237 113.264 114.554 -0.088 0.000 2.799 142 T HA 0.583 4.934 4.350 0.001 0.000 0.286 142 T C 1.152 175.821 174.700 -0.052 0.000 0.973 142 T CA 0.151 62.222 62.100 -0.048 0.000 1.035 142 T CB 2.041 70.903 68.868 -0.009 0.000 0.932 142 T HN 0.510 nan 8.240 nan 0.000 0.469 143 G N 3.400 112.172 108.800 -0.046 0.000 2.693 143 G HA2 -0.359 3.601 3.960 0.001 0.000 0.354 143 G HA3 -0.359 3.601 3.960 0.001 0.000 0.354 143 G C 1.460 176.325 174.900 -0.059 0.000 1.207 143 G CA 1.546 46.620 45.100 -0.043 0.000 0.958 143 G HN 1.771 nan 8.290 nan 0.000 0.560 144 A N -0.040 122.758 122.820 -0.037 0.000 1.908 144 A HA 0.188 4.508 4.320 0.001 0.000 0.218 144 A C 3.062 180.603 177.584 -0.073 0.000 1.181 144 A CA 3.704 55.714 52.037 -0.045 0.000 0.627 144 A CB -1.151 17.838 19.000 -0.018 0.000 0.818 144 A HN 2.095 nan 8.150 nan 0.000 0.445 145 A N -0.131 122.646 122.820 -0.071 0.000 1.883 145 A HA 0.076 4.397 4.320 0.001 0.000 0.217 145 A C 2.558 180.058 177.584 -0.139 0.000 1.186 145 A CA 2.518 54.501 52.037 -0.089 0.000 0.624 145 A CB -1.196 17.753 19.000 -0.085 0.000 0.822 145 A HN 1.191 nan 8.150 nan 0.000 0.444 146 A N -0.728 121.991 122.820 -0.167 0.000 1.908 146 A HA -0.106 4.214 4.320 0.001 0.000 0.218 146 A C 2.424 179.873 177.584 -0.225 0.000 1.181 146 A CA 2.156 54.063 52.037 -0.216 0.000 0.627 146 A CB -0.968 17.926 19.000 -0.177 0.000 0.818 146 A HN 0.466 nan 8.150 nan 0.000 0.445 147 S N -0.418 115.176 115.700 -0.176 0.000 2.419 147 S HA -0.028 4.443 4.470 0.001 0.000 0.235 147 S C 2.001 176.441 174.600 -0.267 0.000 1.019 147 S CA 1.068 59.144 58.200 -0.205 0.000 0.982 147 S CB -0.311 62.814 63.200 -0.125 0.000 0.789 147 S HN 0.798 nan 8.310 nan 0.000 0.490 148 A N 0.651 123.384 122.820 -0.146 0.000 2.208 148 A HA 0.160 4.480 4.320 0.001 0.000 0.209 148 A C 0.952 178.602 177.584 0.110 0.000 1.161 148 A CA 0.342 52.400 52.037 0.034 0.000 0.782 148 A CB -0.137 18.863 19.000 -0.000 0.000 0.816 148 A HN 0.332 nan 8.150 nan 0.000 0.477 149 T N 0.074 114.505 114.554 -0.204 0.000 2.728 149 T HA 0.382 4.733 4.350 0.001 0.000 0.296 149 T C -0.188 174.297 174.700 -0.357 0.000 0.940 149 T CA 0.202 62.191 62.100 -0.186 0.000 1.013 149 T CB 0.090 68.755 68.868 -0.339 0.000 0.912 149 T HN 0.352 nan 8.240 nan 0.000 0.484 150 Y N 0.805 121.140 120.300 0.059 0.000 2.500 150 Y HA 0.164 4.715 4.550 0.001 0.000 0.246 150 Y C 2.375 178.336 175.900 0.100 0.000 1.146 150 Y CA -0.441 57.703 58.100 0.074 0.000 1.230 150 Y CB 0.309 38.816 38.460 0.078 0.000 1.214 150 Y HN 0.679 nan 8.280 nan 0.000 0.526 151 S N 0.047 115.901 115.700 0.258 0.000 2.461 151 S HA 0.460 4.931 4.470 0.001 0.000 0.228 151 S C 0.789 175.498 174.600 0.183 0.000 1.005 151 S CA 0.562 58.892 58.200 0.216 0.000 0.942 151 S CB 0.051 63.377 63.200 0.211 0.000 0.776 151 S HN 0.246 nan 8.310 nan 0.000 0.514 152 A N -1.620 121.330 122.820 0.217 0.000 2.544 152 A HA 0.594 4.914 4.320 0.001 0.000 0.291 152 A C 0.655 178.334 177.584 0.158 0.000 1.055 152 A CA -0.156 51.987 52.037 0.177 0.000 0.651 152 A CB -0.415 18.698 19.000 0.189 0.000 1.296 152 A HN 1.479 nan 8.150 nan 0.000 0.431 153 G N -0.455 108.412 108.800 0.111 0.000 2.198 153 G HA2 -0.259 3.702 3.960 0.001 0.000 0.260 153 G HA3 -0.259 3.702 3.960 0.001 0.000 0.260 153 G C 0.716 175.617 174.900 0.001 0.000 1.025 153 G CA 1.038 46.177 45.100 0.065 0.000 0.769 153 G HN 0.875 nan 8.290 nan 0.000 0.507 154 R N -0.727 119.768 120.500 -0.007 0.000 2.140 154 R HA 0.097 4.437 4.340 0.001 0.000 0.213 154 R C 1.166 177.457 176.300 -0.015 0.000 1.059 154 R CA 0.681 56.757 56.100 -0.040 0.000 1.000 154 R CB 0.007 30.280 30.300 -0.046 0.000 0.910 154 R HN 0.282 nan 8.270 nan 0.000 0.455 155 K N -0.426 119.978 120.400 0.006 0.000 2.219 155 K HA 0.165 4.485 4.320 0.001 0.000 0.258 155 K C 0.854 177.458 176.600 0.006 0.000 1.008 155 K CA 0.847 57.140 56.287 0.010 0.000 0.928 155 K CB 0.382 32.893 32.500 0.018 0.000 0.983 155 K HN 0.237 nan 8.250 nan 0.000 0.484 156 G N -0.212 108.592 108.800 0.006 0.000 2.216 156 G HA2 -0.289 3.672 3.960 0.001 0.000 0.269 156 G HA3 -0.289 3.672 3.960 0.001 0.000 0.269 156 G C 0.421 175.322 174.900 0.001 0.000 0.981 156 G CA 0.976 46.079 45.100 0.005 0.000 0.658 156 G HN 0.668 nan 8.290 nan 0.000 0.539 157 V N -2.632 117.280 119.914 -0.004 0.000 3.043 157 V HA 0.697 4.818 4.120 0.001 0.000 0.357 157 V C 1.140 177.225 176.094 -0.015 0.000 1.372 157 V CA 0.148 62.443 62.300 -0.008 0.000 1.214 157 V CB -0.337 31.481 31.823 -0.008 0.000 1.224 157 V HN 2.190 nan 8.190 nan 0.000 0.507 158 G N 1.392 110.185 108.800 -0.013 0.000 2.781 158 G HA2 -0.085 3.875 3.960 0.001 0.000 0.683 158 G HA3 -0.085 3.875 3.960 0.001 0.000 0.683 158 G C -2.155 172.730 174.900 -0.024 0.000 1.390 158 G CA -0.459 44.631 45.100 -0.017 0.000 0.850 158 G HN 0.625 nan 8.290 nan 0.000 0.557 159 P HA 0.489 nan 4.420 nan 0.000 0.265 159 P C 0.526 177.797 177.300 -0.047 0.000 1.187 159 P CA 0.623 63.704 63.100 -0.032 0.000 0.766 159 P CB 0.483 32.165 31.700 -0.030 0.000 0.820 160 A N 2.455 125.240 122.820 -0.057 0.000 2.249 160 A HA 0.611 4.932 4.320 0.001 0.000 0.281 160 A C 0.319 177.857 177.584 -0.076 0.000 1.127 160 A CA -0.164 51.825 52.037 -0.080 0.000 0.833 160 A CB -0.308 18.628 19.000 -0.107 0.000 1.140 160 A HN 0.654 nan 8.150 nan 0.000 0.502 161 A N -0.381 122.389 122.820 -0.083 0.000 2.511 161 A HA 0.448 4.769 4.320 0.001 0.000 0.242 161 A C 0.351 177.887 177.584 -0.079 0.000 1.069 161 A CA -0.228 51.765 52.037 -0.073 0.000 0.763 161 A CB -0.573 18.389 19.000 -0.062 0.000 1.001 161 A HN 1.157 nan 8.150 nan 0.000 0.498 162 V N 2.236 122.106 119.914 -0.074 0.000 2.617 162 V HA 0.360 4.480 4.120 0.001 0.000 0.304 162 V C 1.594 177.677 176.094 -0.018 0.000 1.040 162 V CA 1.629 63.888 62.300 -0.068 0.000 1.149 162 V CB -0.043 31.717 31.823 -0.105 0.000 0.914 162 V HN 2.038 nan 8.190 nan 0.000 0.487 163 G N 3.536 112.283 108.800 -0.088 0.000 2.132 163 G HA2 -0.214 3.747 3.960 0.001 0.000 0.234 163 G HA3 -0.214 3.747 3.960 0.001 0.000 0.234 163 G C 0.184 174.805 174.900 -0.465 0.000 0.989 163 G CA 0.060 45.069 45.100 -0.150 0.000 0.676 163 G HN 0.762 nan 8.290 nan 0.000 0.522 164 S N -0.020 115.385 115.700 -0.491 0.000 2.457 164 S HA 0.814 5.284 4.470 0.001 0.000 0.289 164 S C -0.434 173.853 174.600 -0.522 0.000 1.163 164 S CA -0.247 57.746 58.200 -0.344 0.000 1.078 164 S CB 0.702 63.842 63.200 -0.100 0.000 0.987 164 S HN 0.329 nan 8.310 nan 0.000 0.482 165 F N 1.045 120.991 119.950 -0.007 0.000 2.611 165 F HA 0.811 5.338 4.527 0.001 0.000 0.324 165 F C 0.240 175.890 175.800 -0.250 0.000 1.061 165 F CA -0.959 56.982 58.000 -0.097 0.000 0.954 165 F CB 1.634 40.548 39.000 -0.143 0.000 1.301 165 F HN 0.575 nan 8.300 nan 0.000 0.482 166 A N 1.680 124.411 122.820 -0.148 0.000 2.515 166 A HA 0.891 5.212 4.320 0.001 0.000 0.298 166 A C -1.194 176.262 177.584 -0.212 0.000 1.059 166 A CA -0.664 51.108 52.037 -0.442 0.000 0.698 166 A CB 1.461 19.895 19.000 -0.943 0.000 1.289 166 A HN 0.809 nan 8.150 nan 0.000 0.404 167 I N -1.032 119.467 120.570 -0.118 0.000 2.957 167 I HA 0.819 4.990 4.170 0.001 0.000 0.310 167 I C -2.846 173.389 176.117 0.197 0.000 1.063 167 I CA -3.010 58.316 61.300 0.045 0.000 1.033 167 I CB 2.343 40.394 38.000 0.085 0.000 1.230 167 I HN 0.259 nan 8.210 nan 0.000 0.447 168 P HA 0.297 nan 4.420 nan 0.000 0.278 168 P C -0.882 176.586 177.300 0.280 0.000 1.238 168 P CA -0.245 62.984 63.100 0.215 0.000 0.794 168 P CB 1.100 32.914 31.700 0.190 0.000 0.955 169 A N 4.259 127.141 122.820 0.104 0.000 2.327 169 A HA 0.561 4.881 4.320 0.001 0.000 0.283 169 A C -2.182 175.305 177.584 -0.163 0.000 1.127 169 A CA -1.695 50.172 52.037 -0.283 0.000 0.810 169 A CB -0.677 17.905 19.000 -0.697 0.000 1.066 169 A HN 0.402 nan 8.150 nan 0.000 0.492 170 P HA 0.110 nan 4.420 nan 0.000 0.264 170 P C -1.150 176.208 177.300 0.096 0.000 1.229 170 P CA 0.423 63.480 63.100 -0.072 0.000 0.780 170 P CB -0.072 31.322 31.700 -0.509 0.000 0.808 171 F N 4.475 124.456 119.950 0.051 0.000 2.430 171 F HA 0.205 4.732 4.527 0.001 0.000 0.362 171 F C 1.435 177.201 175.800 -0.057 0.000 1.103 171 F CA -1.157 56.823 58.000 -0.033 0.000 1.045 171 F CB 0.753 39.718 39.000 -0.058 0.000 1.276 171 F HN 0.244 nan 8.300 nan 0.000 0.444 172 T N 2.479 117.185 114.554 0.254 0.000 2.759 172 T HA -0.262 4.089 4.350 0.001 0.000 0.269 172 T C 1.781 176.390 174.700 -0.151 0.000 1.042 172 T CA 1.565 63.724 62.100 0.099 0.000 1.140 172 T CB -0.851 68.147 68.868 0.217 0.000 0.864 172 T HN 0.565 nan 8.240 nan 0.000 0.455 173 Y N 2.903 122.927 120.300 -0.460 0.000 2.224 173 Y HA 0.106 4.657 4.550 0.001 0.000 0.289 173 Y C 1.459 176.939 175.900 -0.701 0.000 1.146 173 Y CA 0.764 58.525 58.100 -0.566 0.000 1.182 173 Y CB -0.076 38.086 38.460 -0.495 0.000 0.983 173 Y HN 0.193 nan 8.280 nan 0.000 0.524 174 R N 0.804 120.617 120.500 -1.146 0.000 2.782 174 R HA 0.239 4.580 4.340 0.001 0.000 0.293 174 R C -2.668 173.272 176.300 -0.600 0.000 1.333 174 R CA -1.862 53.742 56.100 -0.827 0.000 1.479 174 R CB 0.392 30.257 30.300 -0.724 0.000 1.306 174 R HN 0.093 nan 8.270 nan 0.000 0.654 175 P HA -0.029 nan 4.420 nan 0.000 0.265 175 P C -0.139 176.914 177.300 -0.411 0.000 1.187 175 P CA 0.144 62.726 63.100 -0.863 0.000 0.766 175 P CB 0.909 32.106 31.700 -0.838 0.000 0.820 176 R N 0.579 120.945 120.500 -0.222 0.000 2.539 176 R HA 0.270 4.611 4.340 0.001 0.000 0.342 176 R C -0.564 175.830 176.300 0.156 0.000 0.941 176 R CA -0.176 55.917 56.100 -0.011 0.000 1.146 176 R CB 0.434 30.756 30.300 0.037 0.000 1.541 176 R HN 0.385 nan 8.270 nan 0.000 0.525 177 F N 2.280 122.319 119.950 0.149 0.000 2.499 177 F HA 0.295 4.823 4.527 0.001 0.000 0.333 177 F C -0.533 175.383 175.800 0.193 0.000 1.138 177 F CA -0.771 57.319 58.000 0.150 0.000 0.945 177 F CB 1.271 40.390 39.000 0.199 0.000 1.181 177 F HN -0.122 nan 8.300 nan 0.000 0.435 178 E N 6.708 126.802 120.200 -0.177 0.000 2.212 178 E HA 0.528 4.878 4.350 0.001 0.000 0.268 178 E C -1.441 175.073 176.600 -0.144 0.000 0.902 178 E CA -0.973 55.400 56.400 -0.046 0.000 0.779 178 E CB 1.892 31.565 29.700 -0.045 0.000 1.172 178 E HN 0.690 nan 8.360 nan 0.000 0.409 179 R N 3.156 123.648 120.500 -0.014 0.000 2.514 179 R HA 0.231 4.572 4.340 0.001 0.000 0.296 179 R C -0.959 175.335 176.300 -0.011 0.000 1.012 179 R CA -0.500 55.589 56.100 -0.019 0.000 0.897 179 R CB 0.659 30.986 30.300 0.046 0.000 1.184 179 R HN 0.949 nan 8.270 nan 0.000 0.440 180 N N 2.084 120.769 118.700 -0.025 0.000 2.688 180 N HA -0.250 4.491 4.740 0.001 0.000 0.258 180 N C 0.625 176.128 175.510 -0.011 0.000 1.016 180 N CA 0.881 53.921 53.050 -0.018 0.000 0.747 180 N CB -0.534 37.946 38.487 -0.012 0.000 0.895 180 N HN 1.097 nan 8.380 nan 0.000 0.543 181 G N -1.957 106.833 108.800 -0.016 0.000 2.189 181 G HA2 -0.163 3.798 3.960 0.001 0.000 0.267 181 G HA3 -0.163 3.798 3.960 0.001 0.000 0.267 181 G C 0.165 175.074 174.900 0.015 0.000 0.975 181 G CA 0.627 45.723 45.100 -0.006 0.000 0.644 181 G HN 1.096 nan 8.290 nan 0.000 0.537 182 A N -1.194 121.644 122.820 0.030 0.000 2.469 182 A HA 0.662 4.983 4.320 0.001 0.000 0.299 182 A C -0.466 177.202 177.584 0.140 0.000 1.098 182 A CA -0.609 51.470 52.037 0.070 0.000 0.737 182 A CB 1.119 20.148 19.000 0.049 0.000 1.312 182 A HN 1.338 nan 8.150 nan 0.000 0.414 183 Y N 1.736 122.061 120.300 0.042 0.000 2.605 183 Y HA 0.322 4.873 4.550 0.001 0.000 0.336 183 Y C -0.387 175.566 175.900 0.088 0.000 1.111 183 Y CA -0.192 57.966 58.100 0.096 0.000 1.422 183 Y CB 0.350 38.888 38.460 0.130 0.000 1.193 183 Y HN 0.585 nan 8.280 nan 0.000 0.526 184 D N 6.174 126.562 120.400 -0.020 0.000 2.477 184 D HA 0.049 4.690 4.640 0.001 0.000 0.239 184 D C 0.270 176.333 176.300 -0.394 0.000 1.102 184 D CA -0.517 53.342 54.000 -0.235 0.000 0.901 184 D CB -0.133 40.665 40.800 -0.003 0.000 1.026 184 D HN 0.581 nan 8.370 nan 0.000 0.515 185 Y N 2.196 122.140 120.300 -0.593 0.000 2.509 185 Y HA 0.109 4.659 4.550 0.001 0.000 0.293 185 Y C 1.339 177.182 175.900 -0.095 0.000 1.133 185 Y CA 0.351 58.173 58.100 -0.462 0.000 1.283 185 Y CB -0.545 37.601 38.460 -0.525 0.000 1.001 185 Y HN 0.264 nan 8.280 nan 0.000 0.555 186 L N 0.413 121.505 121.223 -0.218 0.000 2.162 186 L HA 0.075 4.416 4.340 0.001 0.000 0.205 186 L C 2.784 179.619 176.870 -0.058 0.000 1.086 186 L CA 0.834 55.644 54.840 -0.049 0.000 0.778 186 L CB -0.743 41.245 42.059 -0.119 0.000 0.928 186 L HN 0.333 nan 8.230 nan 0.000 0.446 187 A N -0.054 122.719 122.820 -0.078 0.000 1.972 187 A HA -0.236 4.084 4.320 0.001 0.000 0.219 187 A C 2.249 179.694 177.584 -0.230 0.000 1.169 187 A CA 1.671 53.703 52.037 -0.007 0.000 0.635 187 A CB -0.413 18.690 19.000 0.172 0.000 0.810 187 A HN 0.452 nan 8.150 nan 0.000 0.446 188 E N -0.268 119.636 120.200 -0.493 0.000 2.051 188 E HA -0.164 4.187 4.350 0.001 0.000 0.192 188 E C 1.952 178.415 176.600 -0.228 0.000 0.991 188 E CA 0.970 56.843 56.400 -0.878 0.000 0.799 188 E CB -0.199 29.241 29.700 -0.434 0.000 0.748 188 E HN 0.593 nan 8.360 nan 0.000 0.449 189 L N 0.987 122.216 121.223 0.011 0.000 2.042 189 L HA -0.244 4.097 4.340 0.001 0.000 0.210 189 L C 1.740 178.695 176.870 0.142 0.000 1.076 189 L CA 1.763 56.690 54.840 0.145 0.000 0.749 189 L CB -0.308 41.793 42.059 0.071 0.000 0.893 189 L HN 0.213 nan 8.230 nan 0.000 0.432 190 D N -1.365 119.073 120.400 0.064 0.000 2.144 190 D HA -0.231 4.409 4.640 0.001 0.000 0.200 190 D C 1.808 178.185 176.300 0.129 0.000 0.978 190 D CA 1.120 55.172 54.000 0.087 0.000 0.833 190 D CB -0.227 40.610 40.800 0.062 0.000 0.961 190 D HN 0.384 nan 8.370 nan 0.000 0.470 191 Y N 1.448 121.722 120.300 -0.043 0.000 2.200 191 Y HA -0.150 4.400 4.550 0.001 0.000 0.290 191 Y C 2.257 178.161 175.900 0.007 0.000 1.137 191 Y CA 1.723 59.818 58.100 -0.007 0.000 1.163 191 Y CB -0.262 38.153 38.460 -0.075 0.000 0.988 191 Y HN -0.052 nan 8.280 nan 0.000 0.518 192 A N -0.208 122.669 122.820 0.094 0.000 1.877 192 A HA -0.197 4.123 4.320 0.001 0.000 0.216 192 A C 2.096 179.612 177.584 -0.113 0.000 1.186 192 A CA 1.754 53.791 52.037 -0.001 0.000 0.620 192 A CB -1.486 17.554 19.000 0.068 0.000 0.822 192 A HN 0.528 nan 8.150 nan 0.000 0.443 193 F N 0.242 120.164 119.950 -0.048 0.000 2.171 193 F HA -0.175 4.353 4.527 0.001 0.000 0.300 193 F C 2.070 177.799 175.800 -0.119 0.000 1.090 193 F CA 1.925 59.880 58.000 -0.075 0.000 1.293 193 F CB -0.399 38.560 39.000 -0.067 0.000 1.013 193 F HN 0.471 nan 8.300 nan 0.000 0.486 194 D N -0.175 120.244 120.400 0.031 0.000 2.123 194 D HA -0.218 4.423 4.640 0.001 0.000 0.196 194 D C 2.170 178.393 176.300 -0.129 0.000 0.992 194 D CA 1.051 55.020 54.000 -0.051 0.000 0.833 194 D CB -0.145 40.607 40.800 -0.080 0.000 0.954 194 D HN 0.121 nan 8.370 nan 0.000 0.455 195 L N 0.498 121.599 121.223 -0.204 0.000 2.017 195 L HA -0.104 4.236 4.340 0.001 0.000 0.208 195 L C 2.037 178.766 176.870 -0.235 0.000 1.073 195 L CA 1.431 56.142 54.840 -0.214 0.000 0.745 195 L CB -0.758 41.163 42.059 -0.229 0.000 0.894 195 L HN 0.232 nan 8.230 nan 0.000 0.432 196 I N -0.097 120.293 120.570 -0.301 0.000 2.163 196 I HA -0.311 3.860 4.170 0.001 0.000 0.243 196 I C 2.227 178.109 176.117 -0.392 0.000 1.085 196 I CA 1.494 62.511 61.300 -0.472 0.000 1.347 196 I CB -1.387 36.298 38.000 -0.526 0.000 1.044 196 I HN 0.319 nan 8.210 nan 0.000 0.408 197 D N 0.677 120.961 120.400 -0.194 0.000 2.190 197 D HA -0.188 4.452 4.640 0.001 0.000 0.200 197 D C 2.324 178.544 176.300 -0.133 0.000 0.992 197 D CA 1.125 55.055 54.000 -0.117 0.000 0.854 197 D CB -0.143 40.638 40.800 -0.032 0.000 0.936 197 D HN 0.431 nan 8.370 nan 0.000 0.462 198 R N 0.082 120.497 120.500 -0.142 0.000 2.148 198 R HA -0.023 4.318 4.340 0.001 0.000 0.223 198 R C 2.108 178.344 176.300 -0.106 0.000 1.088 198 R CA 0.753 56.790 56.100 -0.105 0.000 0.985 198 R CB -0.073 30.177 30.300 -0.083 0.000 0.880 198 R HN 0.353 nan 8.270 nan 0.000 0.451 199 Q N 0.245 119.934 119.800 -0.184 0.000 2.391 199 Q HA 0.120 4.461 4.340 0.001 0.000 0.211 199 Q C 0.754 176.693 176.000 -0.101 0.000 0.908 199 Q CA -0.048 55.686 55.803 -0.116 0.000 0.920 199 Q CB 0.440 29.148 28.738 -0.049 0.000 1.056 199 Q HN 0.014 nan 8.270 nan 0.000 0.523 200 S N 1.131 116.666 115.700 -0.274 0.000 2.566 200 S HA -0.011 4.460 4.470 0.001 0.000 0.280 200 S C 1.008 175.611 174.600 0.005 0.000 1.343 200 S CA 0.164 58.285 58.200 -0.133 0.000 1.036 200 S CB 0.688 63.766 63.200 -0.204 0.000 0.866 200 S HN 0.409 nan 8.310 nan 0.000 0.526 201 S N 2.187 117.921 115.700 0.058 0.000 2.577 201 S HA 0.397 4.868 4.470 0.001 0.000 0.219 201 S C 1.142 175.750 174.600 0.013 0.000 0.962 201 S CA 0.235 58.470 58.200 0.058 0.000 0.921 201 S CB -0.097 63.177 63.200 0.123 0.000 0.789 201 S HN 2.006 nan 8.310 nan 0.000 0.497 202 G N 1.821 110.605 108.800 -0.026 0.000 2.164 202 G HA2 -0.180 3.780 3.960 0.001 0.000 0.212 202 G HA3 -0.180 3.780 3.960 0.001 0.000 0.212 202 G C -0.071 174.784 174.900 -0.074 0.000 1.031 202 G CA -0.100 44.977 45.100 -0.039 0.000 0.730 202 G HN 0.496 nan 8.290 nan 0.000 0.501 203 N N 0.107 118.715 118.700 -0.153 0.000 2.517 203 N HA 0.183 4.923 4.740 0.001 0.000 0.285 203 N C 0.490 175.852 175.510 -0.247 0.000 1.528 203 N CA -0.244 52.644 53.050 -0.269 0.000 0.892 203 N CB 0.550 38.652 38.487 -0.643 0.000 1.356 203 N HN 0.402 nan 8.380 nan 0.000 0.495 204 L N 1.062 122.221 121.223 -0.106 0.000 2.500 204 L HA 0.129 4.469 4.340 0.001 0.000 0.272 204 L C 1.423 178.280 176.870 -0.023 0.000 1.149 204 L CA -0.024 54.797 54.840 -0.032 0.000 0.897 204 L CB 0.738 42.814 42.059 0.029 0.000 1.178 204 L HN 0.157 nan 8.230 nan 0.000 0.473 205 A N 3.241 126.053 122.820 -0.012 0.000 2.013 205 A HA 0.725 5.046 4.320 0.001 0.000 0.204 205 A C 0.727 178.326 177.584 0.024 0.000 1.262 205 A CA 0.802 52.840 52.037 0.002 0.000 0.800 205 A CB 0.346 19.348 19.000 0.004 0.000 0.909 205 A HN 0.723 nan 8.150 nan 0.000 0.472 206 A N -1.779 121.065 122.820 0.041 0.000 2.581 206 A HA 0.640 4.960 4.320 0.001 0.000 0.290 206 A C -1.927 175.720 177.584 0.105 0.000 1.119 206 A CA -0.382 51.692 52.037 0.063 0.000 0.670 206 A CB 0.464 19.474 19.000 0.017 0.000 1.280 206 A HN 0.784 nan 8.150 nan 0.000 0.425 207 F N 0.412 120.348 119.950 -0.023 0.000 2.518 207 F HA 0.725 5.252 4.527 0.001 0.000 0.323 207 F C -0.820 174.927 175.800 -0.089 0.000 1.129 207 F CA -0.868 57.106 58.000 -0.042 0.000 0.920 207 F CB 1.525 40.524 39.000 -0.001 0.000 1.160 207 F HN 0.582 nan 8.300 nan 0.000 0.440 208 I N 5.721 126.160 120.570 -0.218 0.000 2.378 208 I HA 0.816 4.987 4.170 0.001 0.000 0.291 208 I C -1.226 174.880 176.117 -0.018 0.000 0.992 208 I CA -0.177 61.035 61.300 -0.146 0.000 1.154 208 I CB 0.889 38.667 38.000 -0.369 0.000 1.315 208 I HN 0.759 nan 8.210 nan 0.000 0.448 209 A N 5.939 128.886 122.820 0.211 0.000 2.566 209 A HA 0.684 5.005 4.320 0.001 0.000 0.292 209 A C -1.308 176.537 177.584 0.435 0.000 1.112 209 A CA -0.667 51.623 52.037 0.420 0.000 0.707 209 A CB 1.513 20.827 19.000 0.524 0.000 1.302 209 A HN 0.712 nan 8.150 nan 0.000 0.409 210 E N 0.827 121.339 120.200 0.520 0.000 2.191 210 E HA 0.419 4.770 4.350 0.001 0.000 0.274 210 E C -1.810 174.958 176.600 0.281 0.000 0.948 210 E CA -1.840 54.770 56.400 0.350 0.000 0.802 210 E CB 1.823 31.692 29.700 0.282 0.000 1.137 210 E HN 0.372 nan 8.360 nan 0.000 0.397 211 P HA 0.004 nan 4.420 nan 0.000 0.220 211 P C -0.026 177.321 177.300 0.078 0.000 1.152 211 P CA 1.088 64.275 63.100 0.145 0.000 0.812 211 P CB 0.584 32.357 31.700 0.122 0.000 0.792 212 I N -0.298 120.309 120.570 0.062 0.000 2.503 212 I HA 0.145 4.316 4.170 0.001 0.000 0.282 212 I C -0.656 175.463 176.117 0.004 0.000 1.059 212 I CA -1.179 60.123 61.300 0.003 0.000 1.081 212 I CB 1.922 39.922 38.000 -0.000 0.000 1.210 212 I HN -0.314 nan 8.210 nan 0.000 0.450 213 L N 5.338 126.533 121.223 -0.047 0.000 2.638 213 L HA 0.033 4.374 4.340 0.001 0.000 0.273 213 L C 1.421 178.259 176.870 -0.052 0.000 1.147 213 L CA 0.871 55.686 54.840 -0.041 0.000 0.941 213 L CB 0.678 42.660 42.059 -0.129 0.000 1.251 213 L HN 0.618 nan 8.230 nan 0.000 0.479 214 S N 1.242 116.935 115.700 -0.012 0.000 2.325 214 S HA -0.142 4.328 4.470 0.001 0.000 0.214 214 S C 2.080 176.632 174.600 -0.081 0.000 1.031 214 S CA 1.431 59.607 58.200 -0.039 0.000 0.972 214 S CB 0.061 63.251 63.200 -0.018 0.000 0.908 214 S HN 0.745 nan 8.310 nan 0.000 0.453 215 S N 0.408 116.056 115.700 -0.087 0.000 2.383 215 S HA -0.044 4.426 4.470 0.001 0.000 0.229 215 S C 1.852 176.390 174.600 -0.103 0.000 1.030 215 S CA 1.572 59.674 58.200 -0.164 0.000 1.002 215 S CB -0.963 62.104 63.200 -0.222 0.000 0.829 215 S HN 0.666 nan 8.310 nan 0.000 0.467 216 G N -0.424 108.338 108.800 -0.063 0.000 2.653 216 G HA2 0.273 4.234 3.960 0.001 0.000 0.212 216 G HA3 0.273 4.234 3.960 0.001 0.000 0.212 216 G C 0.919 175.716 174.900 -0.171 0.000 1.138 216 G CA 0.548 45.591 45.100 -0.095 0.000 0.782 216 G HN 1.265 nan 8.290 nan 0.000 0.535 217 G N -0.216 108.492 108.800 -0.153 0.000 2.151 217 G HA2 -0.134 3.826 3.960 0.001 0.000 0.156 217 G HA3 -0.134 3.826 3.960 0.001 0.000 0.156 217 G C 0.444 175.247 174.900 -0.162 0.000 1.017 217 G CA -0.395 44.607 45.100 -0.162 0.000 0.686 217 G HN 0.958 nan 8.290 nan 0.000 0.503 218 I N -0.756 119.736 120.570 -0.129 0.000 7.154 218 I HA -0.234 3.937 4.170 0.001 0.000 0.126 218 I C 0.400 176.437 176.117 -0.133 0.000 1.808 218 I CA 0.804 62.044 61.300 -0.100 0.000 2.123 218 I CB -0.637 37.328 38.000 -0.058 0.000 3.552 218 I HN 0.356 nan 8.210 nan 0.000 0.195 219 I N 3.120 123.571 120.570 -0.197 0.000 2.339 219 I HA 0.283 4.453 4.170 0.001 0.000 0.290 219 I C 0.716 176.728 176.117 -0.174 0.000 0.994 219 I CA -0.328 60.823 61.300 -0.248 0.000 1.191 219 I CB 1.307 39.047 38.000 -0.433 0.000 1.343 219 I HN 0.239 nan 8.210 nan 0.000 0.458 220 E N 6.278 126.410 120.200 -0.113 0.000 2.227 220 E HA 0.380 4.731 4.350 0.001 0.000 0.282 220 E C -0.789 175.714 176.600 -0.161 0.000 1.015 220 E CA -0.732 55.609 56.400 -0.098 0.000 0.823 220 E CB 1.348 31.017 29.700 -0.052 0.000 1.081 220 E HN 0.462 nan 8.360 nan 0.000 0.396 221 L N 6.633 127.754 121.223 -0.170 0.000 2.462 221 L HA 0.171 4.512 4.340 0.001 0.000 0.272 221 L C -1.750 174.998 176.870 -0.203 0.000 1.166 221 L CA -1.589 53.087 54.840 -0.272 0.000 0.880 221 L CB -0.075 41.922 42.059 -0.104 0.000 1.142 221 L HN 0.359 nan 8.230 nan 0.000 0.473 222 P HA 0.038 nan 4.420 nan 0.000 0.274 222 P C -1.115 176.131 177.300 -0.090 0.000 1.260 222 P CA -0.635 62.279 63.100 -0.311 0.000 0.793 222 P CB 0.279 31.494 31.700 -0.809 0.000 1.048 223 D N -1.689 118.735 120.400 0.040 0.000 2.487 223 D HA 0.278 4.918 4.640 0.001 0.000 0.243 223 D C 1.257 177.699 176.300 0.235 0.000 1.154 223 D CA 0.322 54.404 54.000 0.136 0.000 0.876 223 D CB -0.516 40.350 40.800 0.111 0.000 1.161 223 D HN 0.756 nan 8.370 nan 0.000 0.478 224 G N 1.902 110.806 108.800 0.173 0.000 2.225 224 G HA2 -0.448 3.513 3.960 0.001 0.000 0.254 224 G HA3 -0.448 3.513 3.960 0.001 0.000 0.254 224 G C 0.591 175.603 174.900 0.188 0.000 0.988 224 G CA 0.455 45.652 45.100 0.160 0.000 0.625 224 G HN 0.617 nan 8.290 nan 0.000 0.527 225 Y N 0.899 121.270 120.300 0.118 0.000 2.089 225 Y HA -0.000 4.550 4.550 0.001 0.000 0.282 225 Y C 3.071 178.997 175.900 0.044 0.000 1.139 225 Y CA 2.671 60.826 58.100 0.092 0.000 1.123 225 Y CB -0.228 38.227 38.460 -0.010 0.000 0.980 225 Y HN 0.264 nan 8.280 nan 0.000 0.493 226 M N -0.431 119.268 119.600 0.165 0.000 2.144 226 M HA -0.268 4.213 4.480 0.001 0.000 0.260 226 M C 2.346 178.612 176.300 -0.057 0.000 1.067 226 M CA 1.709 57.044 55.300 0.058 0.000 1.095 226 M CB -1.135 31.529 32.600 0.106 0.000 1.365 226 M HN 0.526 nan 8.290 nan 0.000 0.406 227 A N -0.040 122.756 122.820 -0.039 0.000 1.873 227 A HA 0.006 4.326 4.320 0.001 0.000 0.215 227 A C 2.362 179.869 177.584 -0.127 0.000 1.186 227 A CA 1.894 53.893 52.037 -0.063 0.000 0.616 227 A CB -0.860 18.123 19.000 -0.028 0.000 0.823 227 A HN 0.493 nan 8.150 nan 0.000 0.442 228 A N -0.620 122.103 122.820 -0.161 0.000 1.933 228 A HA -0.014 4.307 4.320 0.001 0.000 0.218 228 A C 2.118 179.505 177.584 -0.329 0.000 1.175 228 A CA 1.688 53.590 52.037 -0.226 0.000 0.628 228 A CB -0.607 18.251 19.000 -0.237 0.000 0.814 228 A HN 0.589 nan 8.150 nan 0.000 0.444 229 L N 0.051 121.024 121.223 -0.417 0.000 1.970 229 L HA -0.165 4.175 4.340 0.001 0.000 0.212 229 L C 2.336 178.986 176.870 -0.367 0.000 1.071 229 L CA 2.782 57.342 54.840 -0.468 0.000 0.751 229 L CB -0.619 41.154 42.059 -0.477 0.000 0.889 229 L HN 0.391 nan 8.230 nan 0.000 0.432 230 K N -0.613 119.636 120.400 -0.251 0.000 2.152 230 K HA -0.201 4.119 4.320 0.001 0.000 0.206 230 K C 2.259 178.741 176.600 -0.197 0.000 1.048 230 K CA 1.543 57.718 56.287 -0.187 0.000 0.933 230 K CB -0.158 32.270 32.500 -0.121 0.000 0.721 230 K HN 0.254 nan 8.250 nan 0.000 0.447 231 R N -0.039 120.333 120.500 -0.214 0.000 2.075 231 R HA 0.002 4.343 4.340 0.001 0.000 0.232 231 R C 2.038 178.172 176.300 -0.276 0.000 1.126 231 R CA 1.270 57.248 56.100 -0.204 0.000 0.963 231 R CB -0.011 30.182 30.300 -0.177 0.000 0.858 231 R HN 0.059 nan 8.270 nan 0.000 0.435 232 K N 0.146 120.304 120.400 -0.404 0.000 2.063 232 K HA -0.152 4.169 4.320 0.001 0.000 0.208 232 K C 2.142 178.429 176.600 -0.522 0.000 1.048 232 K CA 1.280 57.193 56.287 -0.623 0.000 0.928 232 K CB -0.440 31.410 32.500 -1.084 0.000 0.713 232 K HN 0.278 nan 8.250 nan 0.000 0.442 233 C N 1.155 120.236 119.300 -0.365 0.000 2.453 233 C HA -0.066 4.395 4.460 0.001 0.000 0.277 233 C C 2.588 177.493 174.990 -0.141 0.000 1.262 233 C CA 0.624 59.530 59.018 -0.187 0.000 1.718 233 C CB -0.696 26.974 27.740 -0.117 0.000 2.031 233 C HN 0.539 nan 8.230 nan 0.000 0.480 234 E N 1.047 121.160 120.200 -0.145 0.000 2.085 234 E HA -0.195 4.155 4.350 0.001 0.000 0.194 234 E C 2.304 178.841 176.600 -0.106 0.000 0.994 234 E CA 1.441 57.776 56.400 -0.108 0.000 0.801 234 E CB -0.283 29.355 29.700 -0.103 0.000 0.743 234 E HN 0.669 nan 8.360 nan 0.000 0.453 235 A N 1.214 123.951 122.820 -0.138 0.000 2.019 235 A HA -0.168 4.153 4.320 0.001 0.000 0.219 235 A C 1.825 179.349 177.584 -0.100 0.000 1.164 235 A CA 1.206 53.170 52.037 -0.121 0.000 0.644 235 A CB -0.274 18.633 19.000 -0.155 0.000 0.805 235 A HN 0.114 nan 8.150 nan 0.000 0.449 236 R N -1.466 118.972 120.500 -0.103 0.000 2.362 236 R HA 0.310 4.650 4.340 0.001 0.000 0.227 236 R C 0.994 177.271 176.300 -0.039 0.000 0.905 236 R CA 0.405 56.468 56.100 -0.061 0.000 1.067 236 R CB 0.050 30.328 30.300 -0.037 0.000 1.078 236 R HN 0.576 nan 8.270 nan 0.000 0.516 237 G N 1.941 110.714 108.800 -0.045 0.000 2.221 237 G HA2 -0.302 3.658 3.960 0.001 0.000 0.265 237 G HA3 -0.302 3.658 3.960 0.001 0.000 0.265 237 G C -0.007 174.881 174.900 -0.020 0.000 1.041 237 G CA 0.224 45.305 45.100 -0.033 0.000 0.807 237 G HN 0.194 nan 8.290 nan 0.000 0.502 238 M N -0.340 119.252 119.600 -0.015 0.000 2.423 238 M HA 0.601 5.082 4.480 0.001 0.000 0.335 238 M C 0.779 177.082 176.300 0.005 0.000 1.177 238 M CA -0.714 54.594 55.300 0.012 0.000 1.038 238 M CB 1.497 34.131 32.600 0.057 0.000 1.641 238 M HN 0.052 nan 8.290 nan 0.000 0.455 239 L N 2.411 123.642 121.223 0.013 0.000 2.379 239 L HA 0.508 4.849 4.340 0.001 0.000 0.269 239 L C -0.725 176.163 176.870 0.030 0.000 1.084 239 L CA -0.915 53.926 54.840 0.001 0.000 0.802 239 L CB 0.965 43.014 42.059 -0.016 0.000 1.175 239 L HN 0.510 nan 8.230 nan 0.000 0.448 240 L N 3.550 124.780 121.223 0.013 0.000 2.294 240 L HA 0.505 4.846 4.340 0.001 0.000 0.283 240 L C -0.589 176.295 176.870 0.024 0.000 1.015 240 L CA 0.131 54.995 54.840 0.040 0.000 0.831 240 L CB 0.895 42.952 42.059 -0.003 0.000 1.217 240 L HN 0.346 nan 8.230 nan 0.000 0.420 241 I N 6.125 126.720 120.570 0.042 0.000 2.321 241 I HA 0.290 4.460 4.170 0.001 0.000 0.291 241 I C -0.562 175.574 176.117 0.032 0.000 0.998 241 I CA -0.486 60.815 61.300 0.001 0.000 1.227 241 I CB 1.368 39.344 38.000 -0.040 0.000 1.368 241 I HN 0.449 nan 8.210 nan 0.000 0.466 242 L N 5.833 127.072 121.223 0.026 0.000 2.272 242 L HA 0.313 4.654 4.340 0.001 0.000 0.289 242 L C -0.402 176.509 176.870 0.068 0.000 1.032 242 L CA -0.436 54.446 54.840 0.071 0.000 0.810 242 L CB 1.473 43.572 42.059 0.066 0.000 1.205 242 L HN 0.541 nan 8.230 nan 0.000 0.422 243 D N 4.145 124.621 120.400 0.127 0.000 2.396 243 D HA 0.094 4.735 4.640 0.001 0.000 0.225 243 D C 0.094 176.492 176.300 0.164 0.000 1.121 243 D CA -0.004 54.086 54.000 0.150 0.000 0.853 243 D CB 0.845 41.803 40.800 0.264 0.000 1.043 243 D HN 0.465 nan 8.370 nan 0.000 0.500 244 E N 2.665 122.944 120.200 0.132 0.000 2.511 244 E HA 0.178 4.528 4.350 0.001 0.000 0.214 244 E C 1.081 177.765 176.600 0.140 0.000 1.062 244 E CA -0.370 56.119 56.400 0.148 0.000 1.213 244 E CB 0.802 30.613 29.700 0.185 0.000 1.214 244 E HN 0.536 nan 8.360 nan 0.000 0.441 245 A N 0.832 123.732 122.820 0.135 0.000 1.940 245 A HA -0.250 4.070 4.320 0.001 0.000 0.219 245 A C 2.033 179.677 177.584 0.101 0.000 1.176 245 A CA 1.439 53.549 52.037 0.120 0.000 0.631 245 A CB -0.026 19.058 19.000 0.140 0.000 0.814 245 A HN 0.243 nan 8.150 nan 0.000 0.446 246 Q N -1.723 118.136 119.800 0.099 0.000 2.396 246 Q HA -0.013 4.327 4.340 0.001 0.000 0.220 246 Q C 1.997 178.026 176.000 0.048 0.000 0.900 246 Q CA 1.155 56.996 55.803 0.064 0.000 0.925 246 Q CB 0.200 28.970 28.738 0.053 0.000 1.065 246 Q HN 0.844 nan 8.270 nan 0.000 0.535 247 T N -2.224 112.373 114.554 0.071 0.000 3.044 247 T HA 0.132 4.483 4.350 0.001 0.000 0.255 247 T C 1.154 175.891 174.700 0.061 0.000 1.073 247 T CA 0.302 62.437 62.100 0.058 0.000 1.125 247 T CB -0.109 68.806 68.868 0.079 0.000 0.908 247 T HN 0.142 nan 8.240 nan 0.000 0.480 248 G N 1.079 109.949 108.800 0.117 0.000 2.699 248 G HA2 0.397 4.358 3.960 0.001 0.000 0.246 248 G HA3 0.397 4.358 3.960 0.001 0.000 0.246 248 G C 0.235 175.112 174.900 -0.040 0.000 1.219 248 G CA 0.069 45.253 45.100 0.140 0.000 0.866 248 G HN 0.946 nan 8.290 nan 0.000 0.572 249 V N -0.102 119.662 119.914 -0.250 0.000 5.831 249 V HA -0.193 3.928 4.120 0.001 0.000 0.322 249 V C 1.886 177.852 176.094 -0.213 0.000 0.451 249 V CA 1.555 63.701 62.300 -0.255 0.000 0.687 249 V CB -2.045 29.714 31.823 -0.108 0.000 0.395 249 V HN 2.828 nan 8.190 nan 0.000 1.284 250 G N -0.223 108.426 108.800 -0.253 0.000 2.253 250 G HA2 -0.437 3.524 3.960 0.001 0.000 0.251 250 G HA3 -0.437 3.524 3.960 0.001 0.000 0.251 250 G C 0.866 175.700 174.900 -0.110 0.000 0.998 250 G CA 1.242 46.240 45.100 -0.170 0.000 0.621 250 G HN 0.935 nan 8.290 nan 0.000 0.524 251 R N 0.852 121.298 120.500 -0.090 0.000 2.119 251 R HA -0.128 4.213 4.340 0.001 0.000 0.246 251 R C 2.551 178.817 176.300 -0.057 0.000 1.146 251 R CA 2.604 58.663 56.100 -0.068 0.000 0.962 251 R CB -0.523 29.745 30.300 -0.054 0.000 0.863 251 R HN 0.710 nan 8.270 nan 0.000 0.442 252 T N -3.572 110.955 114.554 -0.046 0.000 3.235 252 T HA 0.285 4.636 4.350 0.001 0.000 0.251 252 T C 1.001 175.681 174.700 -0.034 0.000 1.060 252 T CA 0.332 62.412 62.100 -0.033 0.000 0.949 252 T CB 0.763 69.624 68.868 -0.012 0.000 1.020 252 T HN 0.487 nan 8.240 nan 0.000 0.564 253 G N 0.879 109.650 108.800 -0.049 0.000 2.176 253 G HA2 -0.171 3.790 3.960 0.001 0.000 0.232 253 G HA3 -0.171 3.790 3.960 0.001 0.000 0.232 253 G C 0.197 175.070 174.900 -0.045 0.000 0.986 253 G CA 0.173 45.247 45.100 -0.043 0.000 0.643 253 G HN 1.306 nan 8.290 nan 0.000 0.522 254 T N -3.511 111.010 114.554 -0.056 0.000 2.896 254 T HA 0.641 4.991 4.350 0.001 0.000 0.297 254 T C 1.029 175.646 174.700 -0.139 0.000 1.108 254 T CA 0.143 62.207 62.100 -0.059 0.000 1.004 254 T CB 1.773 70.634 68.868 -0.011 0.000 1.159 254 T HN 0.373 nan 8.240 nan 0.000 0.499 255 M N 0.314 119.794 119.600 -0.200 0.000 2.108 255 M HA 0.279 4.760 4.480 0.001 0.000 0.261 255 M C -0.791 174.995 176.300 -0.857 0.000 1.066 255 M CA 1.457 56.457 55.300 -0.500 0.000 1.107 255 M CB -0.703 31.588 32.600 -0.515 0.000 1.356 255 M HN 0.641 nan 8.290 nan 0.000 0.406 256 F N -2.000 117.952 119.950 0.003 0.000 2.565 256 F HA 0.568 5.096 4.527 0.001 0.000 0.313 256 F C 0.924 176.732 175.800 0.013 0.000 1.091 256 F CA -0.711 57.294 58.000 0.009 0.000 0.915 256 F CB 0.755 39.761 39.000 0.009 0.000 1.208 256 F HN -0.072 nan 8.300 nan 0.000 0.453 257 A N 0.682 123.621 122.820 0.199 0.000 1.972 257 A HA -0.178 4.142 4.320 0.001 0.000 0.219 257 A C 2.148 179.805 177.584 0.121 0.000 1.169 257 A CA 1.868 53.978 52.037 0.122 0.000 0.635 257 A CB -1.358 17.704 19.000 0.103 0.000 0.810 257 A HN 1.045 nan 8.150 nan 0.000 0.446 258 C N -1.059 118.328 119.300 0.145 0.000 2.410 258 C HA -0.164 4.297 4.460 0.001 0.000 0.281 258 C C 2.438 177.483 174.990 0.091 0.000 1.318 258 C CA 1.095 60.174 59.018 0.101 0.000 1.776 258 C CB -1.834 25.948 27.740 0.069 0.000 1.942 258 C HN 0.652 nan 8.230 nan 0.000 0.508 259 Q N 0.633 120.505 119.800 0.121 0.000 2.181 259 Q HA -0.206 4.134 4.340 0.001 0.000 0.205 259 Q C 2.449 178.486 176.000 0.062 0.000 0.980 259 Q CA 1.810 57.669 55.803 0.093 0.000 0.862 259 Q CB -0.256 28.550 28.738 0.113 0.000 0.905 259 Q HN 0.712 nan 8.270 nan 0.000 0.429 260 R N 1.049 121.584 120.500 0.059 0.000 2.066 260 R HA -0.113 4.227 4.340 0.001 0.000 0.232 260 R C 1.379 177.704 176.300 0.043 0.000 1.131 260 R CA 1.686 57.812 56.100 0.044 0.000 0.955 260 R CB -0.065 30.260 30.300 0.041 0.000 0.851 260 R HN 0.225 nan 8.270 nan 0.000 0.432 261 D N -1.313 119.118 120.400 0.050 0.000 2.317 261 D HA 0.042 4.682 4.640 0.001 0.000 0.211 261 D C 0.734 177.056 176.300 0.036 0.000 0.966 261 D CA 1.257 55.285 54.000 0.047 0.000 0.876 261 D CB 0.296 41.130 40.800 0.056 0.000 0.927 261 D HN 0.540 nan 8.370 nan 0.000 0.519 262 G N 1.495 110.316 108.800 0.036 0.000 2.148 262 G HA2 -0.263 3.698 3.960 0.001 0.000 0.254 262 G HA3 -0.263 3.698 3.960 0.001 0.000 0.254 262 G C 0.476 175.385 174.900 0.016 0.000 0.981 262 G CA 0.581 45.696 45.100 0.025 0.000 0.670 262 G HN 0.429 nan 8.290 nan 0.000 0.528 263 V N -0.455 119.470 119.914 0.019 0.000 2.370 263 V HA 0.871 4.992 4.120 0.001 0.000 0.283 263 V C 0.305 176.400 176.094 0.001 0.000 1.023 263 V CA 0.227 62.529 62.300 0.003 0.000 0.857 263 V CB 1.525 33.346 31.823 -0.005 0.000 0.985 263 V HN 1.184 nan 8.190 nan 0.000 0.443 264 T N 6.484 121.030 114.554 -0.013 0.000 2.767 264 T HA 0.646 4.997 4.350 0.001 0.000 0.288 264 T C -1.754 172.925 174.700 -0.034 0.000 0.963 264 T CA -1.418 60.667 62.100 -0.025 0.000 1.019 264 T CB 1.351 70.200 68.868 -0.032 0.000 0.923 264 T HN 0.839 nan 8.240 nan 0.000 0.468 265 P HA 0.340 nan 4.420 nan 0.000 0.277 265 P C 0.222 177.491 177.300 -0.052 0.000 1.271 265 P CA -0.354 62.724 63.100 -0.036 0.000 0.795 265 P CB 0.913 32.597 31.700 -0.028 0.000 1.101 266 D N -0.643 119.728 120.400 -0.048 0.000 2.162 266 D HA 0.079 4.720 4.640 0.001 0.000 0.203 266 D C 0.650 176.905 176.300 -0.074 0.000 0.967 266 D CA 1.362 55.327 54.000 -0.058 0.000 0.840 266 D CB 0.320 41.091 40.800 -0.050 0.000 0.972 266 D HN 0.311 nan 8.370 nan 0.000 0.482 267 I N 0.690 121.217 120.570 -0.072 0.000 2.686 267 I HA 0.262 4.432 4.170 0.001 0.000 0.295 267 I C -1.134 174.932 176.117 -0.085 0.000 1.114 267 I CA -0.950 60.296 61.300 -0.091 0.000 1.038 267 I CB 3.023 40.965 38.000 -0.096 0.000 1.238 267 I HN -0.220 nan 8.210 nan 0.000 0.420 268 L N 5.582 126.741 121.223 -0.108 0.000 2.362 268 L HA 0.739 5.080 4.340 0.001 0.000 0.275 268 L C -0.245 176.569 176.870 -0.094 0.000 0.998 268 L CA 0.165 54.940 54.840 -0.109 0.000 0.820 268 L CB 2.052 43.998 42.059 -0.190 0.000 1.270 268 L HN 0.733 nan 8.230 nan 0.000 0.415 269 T N 3.032 117.556 114.554 -0.050 0.000 2.856 269 T HA 0.804 5.154 4.350 0.001 0.000 0.283 269 T C -0.538 174.169 174.700 0.012 0.000 1.008 269 T CA -0.676 61.406 62.100 -0.030 0.000 0.997 269 T CB 1.200 70.053 68.868 -0.025 0.000 0.992 269 T HN 0.568 nan 8.240 nan 0.000 0.454 270 L N 2.008 123.245 121.223 0.024 0.000 2.350 270 L HA 0.774 5.115 4.340 0.001 0.000 0.260 270 L C 0.603 177.511 176.870 0.062 0.000 1.015 270 L CA -0.833 54.048 54.840 0.069 0.000 0.821 270 L CB 2.468 44.583 42.059 0.094 0.000 1.370 270 L HN 1.055 nan 8.230 nan 0.000 0.416 271 S N -1.012 114.733 115.700 0.074 0.000 6.434 271 S HA 0.086 4.557 4.470 0.001 0.000 0.095 271 S C 1.065 175.700 174.600 0.058 0.000 1.248 271 S CA -0.446 57.792 58.200 0.063 0.000 1.312 271 S CB -0.004 63.237 63.200 0.068 0.000 1.909 271 S HN 0.454 nan 8.310 nan 0.000 0.583 272 K N 1.707 122.146 120.400 0.066 0.000 2.015 272 K HA -0.152 4.169 4.320 0.001 0.000 0.220 272 K C 2.342 178.960 176.600 0.030 0.000 1.055 272 K CA 2.450 58.768 56.287 0.052 0.000 0.951 272 K CB -0.993 31.543 32.500 0.061 0.000 0.725 272 K HN 0.798 nan 8.250 nan 0.000 0.449 273 T N -0.063 114.508 114.554 0.028 0.000 3.085 273 T HA 0.018 4.368 4.350 0.001 0.000 0.263 273 T C 1.803 176.505 174.700 0.004 0.000 1.127 273 T CA 0.357 62.460 62.100 0.005 0.000 1.103 273 T CB -0.053 68.815 68.868 0.001 0.000 0.921 273 T HN 0.110 nan 8.240 nan 0.000 0.510 274 L N 0.754 121.992 121.223 0.026 0.000 2.109 274 L HA 0.174 4.515 4.340 0.001 0.000 0.207 274 L C 2.670 179.543 176.870 0.004 0.000 1.086 274 L CA 1.630 56.484 54.840 0.025 0.000 0.760 274 L CB -0.785 41.301 42.059 0.045 0.000 0.910 274 L HN 0.503 nan 8.230 nan 0.000 0.437 275 G N -1.732 107.072 108.800 0.006 0.000 2.623 275 G HA2 0.053 4.014 3.960 0.001 0.000 0.214 275 G HA3 0.053 4.014 3.960 0.001 0.000 0.214 275 G C 0.984 175.876 174.900 -0.012 0.000 1.138 275 G CA 0.464 45.563 45.100 -0.002 0.000 0.794 275 G HN 0.569 nan 8.290 nan 0.000 0.535 276 A N -1.414 121.395 122.820 -0.019 0.000 2.832 276 A HA 0.184 4.505 4.320 0.001 0.000 0.280 276 A C 1.888 179.455 177.584 -0.029 0.000 1.464 276 A CA 1.934 53.949 52.037 -0.037 0.000 0.804 276 A CB -1.502 17.466 19.000 -0.054 0.000 1.020 276 A HN 2.237 nan 8.150 nan 0.000 0.563 277 G N -3.359 105.436 108.800 -0.009 0.000 2.316 277 G HA2 0.046 4.007 3.960 0.001 0.000 0.203 277 G HA3 0.046 4.007 3.960 0.001 0.000 0.203 277 G C 0.059 174.971 174.900 0.021 0.000 0.999 277 G CA 0.270 45.375 45.100 0.008 0.000 0.649 277 G HN 1.410 nan 8.290 nan 0.000 0.489 278 L N 2.377 123.607 121.223 0.012 0.000 2.387 278 L HA 0.711 5.052 4.340 0.001 0.000 0.266 278 L C -1.957 174.914 176.870 0.003 0.000 1.059 278 L CA -2.138 52.707 54.840 0.007 0.000 0.801 278 L CB 1.395 43.455 42.059 0.001 0.000 1.223 278 L HN -0.064 nan 8.230 nan 0.000 0.456 279 P HA 0.326 nan 4.420 nan 0.000 0.283 279 P C -1.404 175.894 177.300 -0.003 0.000 1.412 279 P CA -0.241 62.856 63.100 -0.006 0.000 0.912 279 P CB 0.783 32.470 31.700 -0.022 0.000 1.132 280 L N 3.003 124.234 121.223 0.013 0.000 2.431 280 L HA 0.868 5.208 4.340 0.001 0.000 0.266 280 L C -1.312 175.576 176.870 0.030 0.000 0.978 280 L CA -0.705 54.147 54.840 0.018 0.000 0.822 280 L CB 2.062 44.126 42.059 0.007 0.000 1.310 280 L HN 0.432 nan 8.230 nan 0.000 0.409 281 A N 3.199 126.041 122.820 0.036 0.000 2.567 281 A HA 1.093 5.414 4.320 0.001 0.000 0.289 281 A C -1.417 176.181 177.584 0.024 0.000 1.177 281 A CA -0.103 51.955 52.037 0.035 0.000 0.694 281 A CB 1.539 20.564 19.000 0.042 0.000 1.292 281 A HN 1.923 nan 8.150 nan 0.000 0.425 282 A N -0.662 122.163 122.820 0.009 0.000 2.567 282 A HA 0.659 4.980 4.320 0.001 0.000 0.291 282 A C -1.223 176.336 177.584 -0.042 0.000 1.048 282 A CA 0.210 52.239 52.037 -0.013 0.000 0.661 282 A CB 0.334 19.331 19.000 -0.006 0.000 1.288 282 A HN 2.278 nan 8.150 nan 0.000 0.424 283 I N -1.013 119.516 120.570 -0.069 0.000 2.569 283 I HA 0.896 5.067 4.170 0.001 0.000 0.296 283 I C -1.317 174.739 176.117 -0.102 0.000 1.028 283 I CA -1.091 60.151 61.300 -0.097 0.000 1.082 283 I CB 2.187 40.109 38.000 -0.130 0.000 1.264 283 I HN 0.348 nan 8.210 nan 0.000 0.429 284 V N 4.424 124.267 119.914 -0.119 0.000 2.531 284 V HA 0.619 4.740 4.120 0.001 0.000 0.301 284 V C -0.013 176.004 176.094 -0.129 0.000 1.034 284 V CA -0.250 61.975 62.300 -0.125 0.000 0.865 284 V CB 1.325 33.056 31.823 -0.152 0.000 0.995 284 V HN 0.964 nan 8.190 nan 0.000 0.424 285 T N 2.099 116.581 114.554 -0.121 0.000 2.831 285 T HA 0.606 4.956 4.350 0.001 0.000 0.287 285 T C 0.046 174.686 174.700 -0.100 0.000 1.070 285 T CA 0.010 62.040 62.100 -0.118 0.000 1.010 285 T CB 1.971 70.757 68.868 -0.137 0.000 1.264 285 T HN 0.978 nan 8.240 nan 0.000 0.532 286 S N 0.832 116.478 115.700 -0.090 0.000 2.617 286 S HA 0.574 5.044 4.470 0.001 0.000 0.269 286 S C 1.600 176.157 174.600 -0.072 0.000 1.292 286 S CA -0.112 58.044 58.200 -0.074 0.000 1.010 286 S CB 0.950 64.111 63.200 -0.065 0.000 0.944 286 S HN 0.943 nan 8.310 nan 0.000 0.536 287 A N 2.093 124.878 122.820 -0.059 0.000 1.933 287 A HA 0.151 4.471 4.320 0.001 0.000 0.218 287 A C 2.361 179.914 177.584 -0.051 0.000 1.175 287 A CA 1.699 53.703 52.037 -0.056 0.000 0.628 287 A CB -1.629 17.343 19.000 -0.046 0.000 0.814 287 A HN 1.340 nan 8.150 nan 0.000 0.444 288 A N 0.030 122.823 122.820 -0.046 0.000 1.883 288 A HA -0.131 4.189 4.320 0.001 0.000 0.217 288 A C 2.117 179.674 177.584 -0.046 0.000 1.186 288 A CA 1.655 53.668 52.037 -0.039 0.000 0.624 288 A CB -0.623 18.355 19.000 -0.037 0.000 0.822 288 A HN 0.483 nan 8.150 nan 0.000 0.444 289 I N -0.628 119.904 120.570 -0.062 0.000 2.226 289 I HA -0.223 3.947 4.170 0.001 0.000 0.245 289 I C 2.636 178.695 176.117 -0.097 0.000 1.100 289 I CA 1.573 62.825 61.300 -0.079 0.000 1.374 289 I CB -0.196 37.746 38.000 -0.095 0.000 1.057 289 I HN 0.415 nan 8.210 nan 0.000 0.413 290 E N 0.844 120.984 120.200 -0.101 0.000 2.110 290 E HA -0.228 4.123 4.350 0.001 0.000 0.193 290 E C 1.953 178.528 176.600 -0.041 0.000 0.988 290 E CA 1.171 57.507 56.400 -0.107 0.000 0.804 290 E CB 0.069 29.704 29.700 -0.109 0.000 0.745 290 E HN 0.418 nan 8.360 nan 0.000 0.458 291 E N 0.517 120.704 120.200 -0.022 0.000 2.058 291 E HA -0.184 4.167 4.350 0.001 0.000 0.194 291 E C 2.190 178.828 176.600 0.064 0.000 0.997 291 E CA 0.649 57.065 56.400 0.026 0.000 0.801 291 E CB -0.290 29.415 29.700 0.008 0.000 0.746 291 E HN 0.098 nan 8.360 nan 0.000 0.450 292 R N 0.502 121.012 120.500 0.017 0.000 2.081 292 R HA -0.040 4.301 4.340 0.001 0.000 0.235 292 R C 2.132 178.443 176.300 0.018 0.000 1.131 292 R CA 1.297 57.405 56.100 0.012 0.000 0.960 292 R CB -0.640 29.653 30.300 -0.012 0.000 0.856 292 R HN 0.156 nan 8.270 nan 0.000 0.436 293 A N -0.537 122.278 122.820 -0.008 0.000 1.933 293 A HA -0.202 4.119 4.320 0.001 0.000 0.218 293 A C 2.038 179.685 177.584 0.105 0.000 1.175 293 A CA 1.827 53.861 52.037 -0.005 0.000 0.628 293 A CB -0.656 18.213 19.000 -0.217 0.000 0.814 293 A HN 0.503 nan 8.150 nan 0.000 0.444 294 H N 0.151 119.229 119.070 0.014 0.000 2.299 294 H HA -0.059 4.497 4.556 0.001 0.000 0.302 294 H C 1.917 177.271 175.328 0.043 0.000 1.078 294 H CA 2.017 58.094 56.048 0.048 0.000 1.323 294 H CB -0.170 29.604 29.762 0.019 0.000 1.381 294 H HN 0.595 nan 8.280 nan 0.000 0.498 295 E N -0.246 119.949 120.200 -0.008 0.000 2.118 295 E HA -0.148 4.202 4.350 0.001 0.000 0.195 295 E C 1.580 178.135 176.600 -0.074 0.000 0.992 295 E CA 0.837 57.198 56.400 -0.065 0.000 0.804 295 E CB 0.009 29.713 29.700 0.007 0.000 0.741 295 E HN 0.312 nan 8.360 nan 0.000 0.458 296 L N -0.432 120.777 121.223 -0.023 0.000 2.610 296 L HA 0.071 4.412 4.340 0.001 0.000 0.232 296 L C 1.435 178.303 176.870 -0.004 0.000 1.149 296 L CA 1.423 56.263 54.840 -0.001 0.000 0.872 296 L CB -0.646 41.432 42.059 0.033 0.000 0.992 296 L HN 0.319 nan 8.230 nan 0.000 0.447 297 G N -1.753 107.020 108.800 -0.045 0.000 2.130 297 G HA2 -0.355 3.606 3.960 0.001 0.000 0.216 297 G HA3 -0.355 3.606 3.960 0.001 0.000 0.216 297 G C 0.254 175.176 174.900 0.036 0.000 0.999 297 G CA 0.029 45.106 45.100 -0.038 0.000 0.686 297 G HN 0.295 nan 8.290 nan 0.000 0.515 298 Y N -0.299 119.983 120.300 -0.031 0.000 2.811 298 Y HA 0.409 4.959 4.550 0.001 0.000 0.334 298 Y C 0.283 176.177 175.900 -0.011 0.000 1.247 298 Y CA 0.485 58.585 58.100 0.001 0.000 1.526 298 Y CB 0.366 38.837 38.460 0.018 0.000 1.284 298 Y HN 0.401 nan 8.280 nan 0.000 0.586 299 L N 7.650 128.482 121.223 -0.650 0.000 2.436 299 L HA 0.502 4.843 4.340 0.001 0.000 0.268 299 L C -1.949 174.524 176.870 -0.662 0.000 0.974 299 L CA -0.540 53.958 54.840 -0.571 0.000 0.826 299 L CB 1.534 43.419 42.059 -0.290 0.000 1.291 299 L HN 0.667 nan 8.230 nan 0.000 0.406 300 F N 4.648 124.150 119.950 -0.747 0.000 3.228 300 F HA 0.440 4.967 4.527 0.001 0.000 0.390 300 F C -1.661 173.920 175.800 -0.365 0.000 1.235 300 F CA -0.330 57.386 58.000 -0.473 0.000 1.236 300 F CB 0.550 39.346 39.000 -0.341 0.000 1.855 300 F HN 0.271 nan 8.300 nan 0.000 0.647 301 Y N 1.967 122.026 120.300 -0.401 0.000 2.342 301 Y HA 0.624 5.175 4.550 0.001 0.000 0.334 301 Y C 0.642 176.346 175.900 -0.327 0.000 1.067 301 Y CA -0.577 57.367 58.100 -0.259 0.000 1.128 301 Y CB 1.947 40.286 38.460 -0.201 0.000 1.200 301 Y HN 0.486 nan 8.280 nan 0.000 0.464 302 T N -2.440 112.127 114.554 0.022 0.000 2.896 302 T HA 0.272 4.622 4.350 0.001 0.000 0.297 302 T C 0.602 175.304 174.700 0.002 0.000 1.108 302 T CA -0.672 61.428 62.100 0.000 0.000 1.004 302 T CB 1.440 70.358 68.868 0.083 0.000 1.159 302 T HN 0.509 nan 8.240 nan 0.000 0.499 303 T N 0.818 115.331 114.554 -0.067 0.000 2.788 303 T HA -0.079 4.272 4.350 0.001 0.000 0.268 303 T C 0.991 175.527 174.700 -0.272 0.000 1.044 303 T CA 1.371 63.332 62.100 -0.231 0.000 1.139 303 T CB -0.417 68.159 68.868 -0.486 0.000 0.867 303 T HN 0.742 nan 8.240 nan 0.000 0.454 304 H N -0.098 119.048 119.070 0.126 0.000 2.487 304 H HA 0.436 4.992 4.556 0.001 0.000 0.290 304 H C 0.361 175.751 175.328 0.103 0.000 1.081 304 H CA -0.392 55.743 56.048 0.146 0.000 1.116 304 H CB -0.326 29.508 29.762 0.121 0.000 1.560 304 H HN 0.156 nan 8.280 nan 0.000 0.548 305 V N 1.833 121.836 119.914 0.148 0.000 2.655 305 V HA -0.060 4.061 4.120 0.001 0.000 0.300 305 V C 0.406 176.540 176.094 0.065 0.000 1.044 305 V CA 0.508 62.877 62.300 0.115 0.000 1.095 305 V CB 0.608 32.495 31.823 0.107 0.000 0.952 305 V HN 0.710 nan 8.190 nan 0.000 0.485 306 S N 3.303 119.036 115.700 0.054 0.000 3.682 306 S HA -0.162 4.308 4.470 0.001 0.000 0.354 306 S C -0.225 174.388 174.600 0.021 0.000 1.034 306 S CA 0.941 59.154 58.200 0.022 0.000 1.084 306 S CB -1.423 61.773 63.200 -0.006 0.000 0.903 306 S HN 0.961 nan 8.310 nan 0.000 0.470 307 D N 1.084 121.521 120.400 0.063 0.000 2.255 307 D HA 0.359 5.000 4.640 0.001 0.000 0.249 307 D C -0.839 175.486 176.300 0.043 0.000 1.078 307 D CA -1.962 52.084 54.000 0.077 0.000 0.896 307 D CB 0.932 41.855 40.800 0.206 0.000 1.194 307 D HN 0.073 nan 8.370 nan 0.000 0.429 308 P HA -0.122 nan 4.420 nan 0.000 0.213 308 P C 1.894 179.152 177.300 -0.070 0.000 1.170 308 P CA 0.612 63.715 63.100 0.005 0.000 0.893 308 P CB 0.411 32.160 31.700 0.080 0.000 0.784 309 L N 0.041 121.270 121.223 0.011 0.000 1.978 309 L HA -0.150 4.191 4.340 0.001 0.000 0.218 309 L C -0.571 176.255 176.870 -0.075 0.000 1.075 309 L CA 2.940 57.771 54.840 -0.016 0.000 0.767 309 L CB -1.915 40.197 42.059 0.089 0.000 0.890 309 L HN 0.032 nan 8.230 nan 0.000 0.434 310 P HA -0.152 nan 4.420 nan 0.000 0.216 310 P C 1.364 178.627 177.300 -0.062 0.000 1.153 310 P CA 1.933 65.013 63.100 -0.033 0.000 0.848 310 P CB -0.169 31.528 31.700 -0.005 0.000 0.787 311 A N 0.358 123.135 122.820 -0.071 0.000 1.877 311 A HA -0.141 4.180 4.320 0.001 0.000 0.216 311 A C 2.393 179.887 177.584 -0.150 0.000 1.186 311 A CA 2.343 54.329 52.037 -0.085 0.000 0.620 311 A CB -1.663 17.295 19.000 -0.070 0.000 0.822 311 A HN 0.191 nan 8.150 nan 0.000 0.443 312 A N -0.476 122.170 122.820 -0.290 0.000 1.917 312 A HA -0.099 4.221 4.320 0.001 0.000 0.219 312 A C 2.254 179.704 177.584 -0.223 0.000 1.182 312 A CA 2.138 53.911 52.037 -0.439 0.000 0.633 312 A CB -1.092 17.287 19.000 -1.034 0.000 0.819 312 A HN 0.476 nan 8.150 nan 0.000 0.448 313 V N -0.184 119.637 119.914 -0.155 0.000 2.295 313 V HA -0.180 3.941 4.120 0.001 0.000 0.246 313 V C 2.838 178.896 176.094 -0.059 0.000 1.049 313 V CA 2.006 64.262 62.300 -0.073 0.000 1.024 313 V CB -1.604 30.195 31.823 -0.041 0.000 0.648 313 V HN 0.619 nan 8.190 nan 0.000 0.447 314 G N -0.272 108.494 108.800 -0.055 0.000 2.422 314 G HA2 -0.246 3.714 3.960 0.001 0.000 0.218 314 G HA3 -0.246 3.714 3.960 0.001 0.000 0.218 314 G C 1.570 176.448 174.900 -0.036 0.000 1.146 314 G CA 1.115 46.194 45.100 -0.036 0.000 0.769 314 G HN 0.394 nan 8.290 nan 0.000 0.547 315 L N 0.696 121.890 121.223 -0.048 0.000 1.989 315 L HA 0.014 4.354 4.340 0.001 0.000 0.211 315 L C 2.784 179.635 176.870 -0.031 0.000 1.071 315 L CA 2.168 56.987 54.840 -0.035 0.000 0.749 315 L CB -0.650 41.382 42.059 -0.045 0.000 0.890 315 L HN 0.218 nan 8.230 nan 0.000 0.431 316 R N -0.820 119.659 120.500 -0.036 0.000 2.117 316 R HA -0.145 4.195 4.340 0.001 0.000 0.243 316 R C 2.021 178.288 176.300 -0.054 0.000 1.143 316 R CA 1.999 58.083 56.100 -0.027 0.000 0.968 316 R CB -1.019 29.275 30.300 -0.010 0.000 0.863 316 R HN 0.337 nan 8.270 nan 0.000 0.444 317 V N 0.625 120.501 119.914 -0.064 0.000 2.295 317 V HA -0.241 3.880 4.120 0.001 0.000 0.246 317 V C 2.268 178.317 176.094 -0.075 0.000 1.049 317 V CA 2.013 64.260 62.300 -0.087 0.000 1.024 317 V CB -0.457 31.322 31.823 -0.073 0.000 0.648 317 V HN 0.300 nan 8.190 nan 0.000 0.447 318 L N -0.347 120.848 121.223 -0.047 0.000 2.083 318 L HA -0.160 4.181 4.340 0.001 0.000 0.209 318 L C 2.315 179.163 176.870 -0.037 0.000 1.083 318 L CA 1.416 56.233 54.840 -0.039 0.000 0.752 318 L CB -0.807 41.245 42.059 -0.012 0.000 0.899 318 L HN 0.296 nan 8.230 nan 0.000 0.433 319 D N -0.114 120.268 120.400 -0.030 0.000 2.117 319 D HA -0.135 4.506 4.640 0.001 0.000 0.197 319 D C 2.378 178.662 176.300 -0.027 0.000 0.987 319 D CA 1.113 55.101 54.000 -0.019 0.000 0.829 319 D CB -0.126 40.670 40.800 -0.007 0.000 0.961 319 D HN 0.095 nan 8.370 nan 0.000 0.460 320 V N 0.553 120.436 119.914 -0.051 0.000 2.270 320 V HA -0.195 3.926 4.120 0.001 0.000 0.245 320 V C 2.690 178.751 176.094 -0.055 0.000 1.043 320 V CA 0.970 63.233 62.300 -0.062 0.000 1.014 320 V CB -0.519 31.214 31.823 -0.150 0.000 0.645 320 V HN 0.045 nan 8.190 nan 0.000 0.447 321 V N -0.482 119.388 119.914 -0.073 0.000 2.282 321 V HA -0.373 3.748 4.120 0.001 0.000 0.249 321 V C 2.457 178.519 176.094 -0.053 0.000 1.057 321 V CA 2.302 64.560 62.300 -0.069 0.000 1.032 321 V CB -0.639 31.131 31.823 -0.088 0.000 0.645 321 V HN 0.588 nan 8.190 nan 0.000 0.447 322 Q N -0.739 119.035 119.800 -0.045 0.000 1.965 322 Q HA -0.204 4.137 4.340 0.001 0.000 0.200 322 Q C 2.611 178.600 176.000 -0.019 0.000 0.981 322 Q CA 1.767 57.551 55.803 -0.032 0.000 0.834 322 Q CB -0.364 28.361 28.738 -0.022 0.000 0.900 322 Q HN 0.423 nan 8.270 nan 0.000 0.426 323 R N 0.862 121.355 120.500 -0.011 0.000 2.112 323 R HA -0.191 4.149 4.340 0.001 0.000 0.242 323 R C 0.705 177.007 176.300 0.003 0.000 1.137 323 R CA 2.009 58.109 56.100 -0.000 0.000 0.944 323 R CB -0.324 29.980 30.300 0.007 0.000 0.857 323 R HN 0.276 nan 8.270 nan 0.000 0.435 324 D N -0.722 119.680 120.400 0.003 0.000 2.336 324 D HA 0.091 4.732 4.640 0.001 0.000 0.229 324 D C 0.715 177.015 176.300 -0.001 0.000 1.061 324 D CA 0.926 54.932 54.000 0.010 0.000 0.875 324 D CB -0.044 40.772 40.800 0.026 0.000 0.904 324 D HN 0.576 nan 8.370 nan 0.000 0.525 325 G N 1.221 110.015 108.800 -0.011 0.000 2.305 325 G HA2 -0.325 3.635 3.960 0.001 0.000 0.287 325 G HA3 -0.325 3.635 3.960 0.001 0.000 0.287 325 G C 1.094 175.980 174.900 -0.023 0.000 1.036 325 G CA 0.339 45.429 45.100 -0.017 0.000 0.887 325 G HN 0.429 nan 8.290 nan 0.000 0.505 326 L N -0.944 120.260 121.223 -0.030 0.000 2.191 326 L HA -0.109 4.231 4.340 0.001 0.000 0.212 326 L C 2.829 179.669 176.870 -0.050 0.000 1.103 326 L CA 1.207 56.024 54.840 -0.037 0.000 0.769 326 L CB -0.518 41.515 42.059 -0.044 0.000 0.908 326 L HN 0.320 nan 8.230 nan 0.000 0.438 327 V N 0.072 119.950 119.914 -0.060 0.000 2.515 327 V HA -0.227 3.894 4.120 0.001 0.000 0.250 327 V C 2.709 178.773 176.094 -0.049 0.000 1.058 327 V CA 1.670 63.928 62.300 -0.068 0.000 1.064 327 V CB -0.716 31.057 31.823 -0.083 0.000 0.675 327 V HN 0.467 nan 8.190 nan 0.000 0.461 328 A N 0.253 123.050 122.820 -0.037 0.000 1.872 328 A HA -0.188 4.133 4.320 0.001 0.000 0.214 328 A C 2.349 179.918 177.584 -0.024 0.000 1.187 328 A CA 1.695 53.717 52.037 -0.027 0.000 0.614 328 A CB -0.529 18.460 19.000 -0.019 0.000 0.826 328 A HN 0.435 nan 8.150 nan 0.000 0.442 329 R N -0.132 120.354 120.500 -0.023 0.000 2.117 329 R HA -0.180 4.161 4.340 0.001 0.000 0.243 329 R C 2.161 178.443 176.300 -0.029 0.000 1.143 329 R CA 1.704 57.792 56.100 -0.020 0.000 0.968 329 R CB -0.474 29.815 30.300 -0.018 0.000 0.863 329 R HN 0.461 nan 8.270 nan 0.000 0.444 330 A N 0.581 123.377 122.820 -0.039 0.000 1.978 330 A HA -0.180 4.141 4.320 0.001 0.000 0.220 330 A C 1.689 179.248 177.584 -0.041 0.000 1.170 330 A CA 1.714 53.723 52.037 -0.048 0.000 0.636 330 A CB -0.494 18.471 19.000 -0.057 0.000 0.810 330 A HN 0.431 nan 8.150 nan 0.000 0.448 331 N N -0.256 118.424 118.700 -0.033 0.000 2.250 331 N HA -0.061 4.680 4.740 0.001 0.000 0.181 331 N C 1.729 177.226 175.510 -0.021 0.000 1.017 331 N CA 1.322 54.357 53.050 -0.026 0.000 0.866 331 N CB -0.219 38.256 38.487 -0.020 0.000 0.985 331 N HN 0.277 nan 8.380 nan 0.000 0.429 332 V N 1.853 121.756 119.914 -0.019 0.000 2.323 332 V HA -0.148 3.972 4.120 0.001 0.000 0.244 332 V C 2.387 178.472 176.094 -0.014 0.000 1.041 332 V CA 1.204 63.496 62.300 -0.013 0.000 1.025 332 V CB -0.245 31.573 31.823 -0.009 0.000 0.656 332 V HN 0.208 nan 8.190 nan 0.000 0.451 333 M N 0.137 119.725 119.600 -0.020 0.000 2.175 333 M HA -0.036 4.444 4.480 0.001 0.000 0.264 333 M C 2.316 178.595 176.300 -0.036 0.000 1.063 333 M CA 1.923 57.209 55.300 -0.024 0.000 1.119 333 M CB -1.898 30.683 32.600 -0.032 0.000 1.377 333 M HN 0.418 nan 8.290 nan 0.000 0.415 334 G N -0.088 108.686 108.800 -0.044 0.000 2.422 334 G HA2 -0.265 3.695 3.960 0.001 0.000 0.218 334 G HA3 -0.265 3.695 3.960 0.001 0.000 0.218 334 G C 1.246 176.126 174.900 -0.034 0.000 1.146 334 G CA 1.393 46.463 45.100 -0.050 0.000 0.769 334 G HN 0.500 nan 8.290 nan 0.000 0.547 335 D N -0.326 120.060 120.400 -0.023 0.000 2.149 335 D HA -0.060 4.580 4.640 0.001 0.000 0.201 335 D C 2.363 178.658 176.300 -0.009 0.000 0.972 335 D CA 0.682 54.674 54.000 -0.014 0.000 0.835 335 D CB -0.135 40.659 40.800 -0.009 0.000 0.966 335 D HN 0.199 nan 8.370 nan 0.000 0.476 336 R N 0.083 120.579 120.500 -0.007 0.000 2.070 336 R HA -0.094 4.247 4.340 0.001 0.000 0.232 336 R C 2.468 178.770 176.300 0.004 0.000 1.138 336 R CA 0.934 57.035 56.100 0.002 0.000 0.936 336 R CB -0.739 29.565 30.300 0.007 0.000 0.839 336 R HN 0.298 nan 8.270 nan 0.000 0.429 337 L N 0.800 122.020 121.223 -0.005 0.000 1.990 337 L HA -0.267 4.073 4.340 0.001 0.000 0.213 337 L C 2.873 179.742 176.870 -0.003 0.000 1.072 337 L CA 1.796 56.634 54.840 -0.002 0.000 0.755 337 L CB -0.474 41.553 42.059 -0.054 0.000 0.889 337 L HN 0.331 nan 8.230 nan 0.000 0.432 338 R N -0.201 120.289 120.500 -0.015 0.000 2.103 338 R HA -0.222 4.118 4.340 0.001 0.000 0.242 338 R C 2.353 178.652 176.300 -0.002 0.000 1.142 338 R CA 1.716 57.810 56.100 -0.011 0.000 0.960 338 R CB -0.145 30.147 30.300 -0.015 0.000 0.858 338 R HN 0.367 nan 8.270 nan 0.000 0.439 339 R N -0.927 119.574 120.500 0.001 0.000 2.092 339 R HA -0.063 4.278 4.340 0.001 0.000 0.231 339 R C 2.318 178.623 176.300 0.007 0.000 1.119 339 R CA 1.211 57.313 56.100 0.003 0.000 0.970 339 R CB -0.339 29.963 30.300 0.003 0.000 0.864 339 R HN 0.393 nan 8.270 nan 0.000 0.440 340 G N 1.024 109.832 108.800 0.014 0.000 2.402 340 G HA2 -0.198 3.762 3.960 0.001 0.000 0.216 340 G HA3 -0.198 3.762 3.960 0.001 0.000 0.216 340 G C 1.430 176.345 174.900 0.025 0.000 1.162 340 G CA 0.254 45.367 45.100 0.022 0.000 0.777 340 G HN 0.121 nan 8.290 nan 0.000 0.539 341 L N -0.070 121.167 121.223 0.024 0.000 2.131 341 L HA 0.001 4.342 4.340 0.001 0.000 0.210 341 L C 2.836 179.719 176.870 0.021 0.000 1.092 341 L CA 0.401 55.256 54.840 0.024 0.000 0.759 341 L CB -0.339 41.728 42.059 0.014 0.000 0.903 341 L HN 0.196 nan 8.230 nan 0.000 0.435 342 L N -0.681 120.549 121.223 0.011 0.000 2.056 342 L HA -0.196 4.145 4.340 0.001 0.000 0.207 342 L C 2.233 179.105 176.870 0.004 0.000 1.078 342 L CA 0.986 55.829 54.840 0.006 0.000 0.749 342 L CB -0.567 41.492 42.059 0.001 0.000 0.901 342 L HN 0.224 nan 8.230 nan 0.000 0.433 343 D N 0.235 120.636 120.400 0.002 0.000 2.123 343 D HA -0.175 4.466 4.640 0.001 0.000 0.196 343 D C 2.396 178.686 176.300 -0.017 0.000 0.992 343 D CA 1.222 55.214 54.000 -0.013 0.000 0.833 343 D CB -0.249 40.543 40.800 -0.013 0.000 0.954 343 D HN 0.243 nan 8.370 nan 0.000 0.455 344 L N 0.380 121.617 121.223 0.024 0.000 2.013 344 L HA -0.184 4.156 4.340 0.001 0.000 0.212 344 L C 2.610 179.527 176.870 0.078 0.000 1.073 344 L CA 1.057 55.947 54.840 0.084 0.000 0.753 344 L CB -0.420 41.739 42.059 0.166 0.000 0.890 344 L HN 0.071 nan 8.230 nan 0.000 0.432 345 M N -0.522 119.117 119.600 0.065 0.000 2.346 345 M HA -0.239 4.241 4.480 0.001 0.000 0.263 345 M C 2.006 178.313 176.300 0.012 0.000 1.064 345 M CA 1.629 56.965 55.300 0.059 0.000 1.083 345 M CB -0.042 32.580 32.600 0.036 0.000 1.399 345 M HN 0.249 nan 8.290 nan 0.000 0.435 346 E N -0.216 119.965 120.200 -0.031 0.000 2.046 346 E HA -0.159 4.191 4.350 0.001 0.000 0.190 346 E C 2.063 178.586 176.600 -0.128 0.000 0.982 346 E CA 0.778 57.141 56.400 -0.061 0.000 0.800 346 E CB 0.158 29.820 29.700 -0.064 0.000 0.756 346 E HN 0.547 nan 8.360 nan 0.000 0.449 347 R N 0.373 120.724 120.500 -0.249 0.000 2.075 347 R HA -0.084 4.256 4.340 0.001 0.000 0.230 347 R C 0.740 176.695 176.300 -0.574 0.000 1.140 347 R CA 1.039 56.808 56.100 -0.551 0.000 0.928 347 R CB -1.091 28.683 30.300 -0.876 0.000 0.834 347 R HN 0.044 nan 8.270 nan 0.000 0.429 348 F N 2.477 122.428 119.950 0.001 0.000 2.385 348 F HA 0.212 4.739 4.527 0.001 0.000 0.360 348 F C 0.997 176.805 175.800 0.013 0.000 1.122 348 F CA -1.181 56.822 58.000 0.006 0.000 1.090 348 F CB 0.956 39.959 39.000 0.005 0.000 1.150 348 F HN -0.079 nan 8.300 nan 0.000 0.472 349 D N 1.235 121.751 120.400 0.193 0.000 2.354 349 D HA -0.161 4.480 4.640 0.001 0.000 0.216 349 D C 2.171 178.546 176.300 0.124 0.000 0.970 349 D CA 0.970 55.044 54.000 0.123 0.000 0.905 349 D CB -0.406 40.446 40.800 0.088 0.000 0.903 349 D HN 0.653 nan 8.370 nan 0.000 0.508 350 C N 0.044 119.430 119.300 0.145 0.000 2.448 350 C HA 0.125 4.586 4.460 0.001 0.000 0.280 350 C C 1.438 176.490 174.990 0.103 0.000 1.398 350 C CA -0.757 58.322 59.018 0.101 0.000 1.774 350 C CB -1.312 26.466 27.740 0.063 0.000 1.888 350 C HN 0.081 nan 8.230 nan 0.000 0.519 351 I N 2.627 123.268 120.570 0.119 0.000 2.406 351 I HA 0.239 4.410 4.170 0.001 0.000 0.293 351 I C 1.566 177.726 176.117 0.071 0.000 1.101 351 I CA 0.519 61.877 61.300 0.097 0.000 1.334 351 I CB 0.641 38.705 38.000 0.108 0.000 1.421 351 I HN 0.458 nan 8.210 nan 0.000 0.513 352 G N 4.317 113.149 108.800 0.054 0.000 2.662 352 G HA2 0.001 3.962 3.960 0.001 0.000 0.212 352 G HA3 0.001 3.962 3.960 0.001 0.000 0.212 352 G C 0.027 174.841 174.900 -0.143 0.000 1.141 352 G CA 0.292 45.426 45.100 0.057 0.000 0.797 352 G HN 0.559 nan 8.290 nan 0.000 0.531 353 D N -1.449 118.800 120.400 -0.250 0.000 2.706 353 D HA 0.429 5.069 4.640 0.001 0.000 0.225 353 D C -1.404 174.787 176.300 -0.181 0.000 1.241 353 D CA -0.331 53.440 54.000 -0.382 0.000 0.784 353 D CB 2.198 42.427 40.800 -0.952 0.000 1.521 353 D HN -0.121 nan 8.370 nan 0.000 0.461 354 V N 3.797 123.634 119.914 -0.129 0.000 2.419 354 V HA 0.576 4.696 4.120 0.001 0.000 0.287 354 V C 0.036 176.097 176.094 -0.054 0.000 1.017 354 V CA -0.594 61.670 62.300 -0.061 0.000 0.844 354 V CB 1.162 32.967 31.823 -0.030 0.000 1.011 354 V HN 0.585 nan 8.190 nan 0.000 0.429 355 R N 3.197 123.673 120.500 -0.042 0.000 2.987 355 R HA 1.003 5.344 4.340 0.001 0.000 0.248 355 R C 0.176 176.463 176.300 -0.021 0.000 1.264 355 R CA -0.295 55.791 56.100 -0.025 0.000 1.026 355 R CB 1.939 32.233 30.300 -0.011 0.000 1.286 355 R HN 1.154 nan 8.270 nan 0.000 0.483 356 G N 0.031 108.821 108.800 -0.017 0.000 2.434 356 G HA2 0.008 3.969 3.960 0.001 0.000 0.671 356 G HA3 0.008 3.969 3.960 0.001 0.000 0.671 356 G C -1.546 173.342 174.900 -0.021 0.000 1.280 356 G CA -0.369 44.717 45.100 -0.023 0.000 0.975 356 G HN 0.761 nan 8.290 nan 0.000 0.510 357 R N -0.621 119.864 120.500 -0.024 0.000 2.668 357 R HA 0.624 4.965 4.340 0.001 0.000 0.272 357 R C 1.076 177.357 176.300 -0.031 0.000 1.019 357 R CA 1.108 57.195 56.100 -0.021 0.000 0.894 357 R CB 1.393 31.686 30.300 -0.013 0.000 1.228 357 R HN 2.731 nan 8.270 nan 0.000 0.460 358 G N 2.418 111.198 108.800 -0.033 0.000 2.622 358 G HA2 -0.334 3.627 3.960 0.001 0.000 0.307 358 G HA3 -0.334 3.627 3.960 0.001 0.000 0.307 358 G C -0.075 174.789 174.900 -0.060 0.000 1.226 358 G CA 0.377 45.451 45.100 -0.043 0.000 0.997 358 G HN 0.492 nan 8.290 nan 0.000 0.551 359 L N 0.239 121.419 121.223 -0.073 0.000 3.073 359 L HA 0.532 4.873 4.340 0.001 0.000 0.242 359 L C -0.097 176.711 176.870 -0.104 0.000 1.317 359 L CA -0.226 54.551 54.840 -0.104 0.000 1.081 359 L CB 0.483 42.471 42.059 -0.119 0.000 1.456 359 L HN 0.377 nan 8.230 nan 0.000 0.525 360 L N 1.217 122.393 121.223 -0.078 0.000 2.490 360 L HA 0.511 4.852 4.340 0.001 0.000 0.256 360 L C -1.307 175.530 176.870 -0.055 0.000 1.089 360 L CA -0.172 54.629 54.840 -0.064 0.000 0.916 360 L CB 1.001 43.034 42.059 -0.042 0.000 1.188 360 L HN -0.080 nan 8.230 nan 0.000 0.476 361 L N 2.537 123.722 121.223 -0.064 0.000 2.342 361 L HA 0.933 5.273 4.340 0.001 0.000 0.271 361 L C 0.445 177.303 176.870 -0.019 0.000 1.008 361 L CA -0.511 54.302 54.840 -0.045 0.000 0.818 361 L CB 1.898 43.921 42.059 -0.060 0.000 1.296 361 L HN 0.572 nan 8.230 nan 0.000 0.427 362 G N 1.647 110.443 108.800 -0.006 0.000 2.495 362 G HA2 0.616 4.576 3.960 0.001 0.000 0.318 362 G HA3 0.616 4.576 3.960 0.001 0.000 0.318 362 G C -1.718 173.203 174.900 0.035 0.000 1.257 362 G CA -0.349 44.763 45.100 0.020 0.000 0.962 362 G HN 0.303 nan 8.290 nan 0.000 0.483 363 V N 1.834 121.807 119.914 0.098 0.000 2.380 363 V HA 0.303 4.423 4.120 0.001 0.000 0.286 363 V C -0.131 176.041 176.094 0.130 0.000 1.015 363 V CA -0.733 61.628 62.300 0.101 0.000 0.834 363 V CB 1.392 33.296 31.823 0.135 0.000 1.009 363 V HN 0.874 nan 8.190 nan 0.000 0.428 364 E N 5.250 125.473 120.200 0.039 0.000 2.105 364 E HA 0.321 4.671 4.350 0.001 0.000 0.285 364 E C -0.550 176.102 176.600 0.088 0.000 1.055 364 E CA -0.623 55.812 56.400 0.058 0.000 0.843 364 E CB 0.647 30.371 29.700 0.039 0.000 1.067 364 E HN 0.482 nan 8.360 nan 0.000 0.398 365 I N 5.891 126.529 120.570 0.112 0.000 2.416 365 I HA 0.129 4.299 4.170 0.001 0.000 0.288 365 I C 0.300 176.474 176.117 0.095 0.000 1.051 365 I CA -0.343 61.026 61.300 0.114 0.000 1.375 365 I CB 0.356 38.435 38.000 0.131 0.000 1.407 365 I HN 0.293 nan 8.210 nan 0.000 0.516 366 V N 3.504 123.477 119.914 0.098 0.000 2.962 366 V HA 0.538 4.659 4.120 0.001 0.000 0.313 366 V C 0.847 176.981 176.094 0.067 0.000 1.099 366 V CA -1.033 61.321 62.300 0.090 0.000 0.971 366 V CB 1.948 33.844 31.823 0.122 0.000 1.028 366 V HN 0.570 nan 8.190 nan 0.000 0.430 367 K N 0.733 121.162 120.400 0.049 0.000 2.000 367 K HA -0.056 4.265 4.320 0.001 0.000 0.218 367 K C 0.477 177.103 176.600 0.043 0.000 1.053 367 K CA 2.351 58.661 56.287 0.037 0.000 0.946 367 K CB -0.095 32.420 32.500 0.025 0.000 0.723 367 K HN 0.942 nan 8.250 nan 0.000 0.446 368 D N -1.995 118.430 120.400 0.043 0.000 2.964 368 D HA 0.184 4.825 4.640 0.001 0.000 0.234 368 D C 0.076 176.407 176.300 0.051 0.000 1.223 368 D CA -0.317 53.709 54.000 0.044 0.000 0.889 368 D CB 1.438 42.257 40.800 0.031 0.000 1.609 368 D HN -0.067 nan 8.370 nan 0.000 0.523 369 R N 0.941 121.478 120.500 0.062 0.000 2.185 369 R HA -0.167 4.173 4.340 0.001 0.000 0.247 369 R C 1.725 178.055 176.300 0.050 0.000 1.159 369 R CA 1.555 57.700 56.100 0.074 0.000 0.988 369 R CB 0.284 30.629 30.300 0.074 0.000 0.871 369 R HN 0.311 nan 8.270 nan 0.000 0.458 370 R N -1.221 119.294 120.500 0.025 0.000 2.075 370 R HA 0.028 4.369 4.340 0.001 0.000 0.220 370 R C 2.146 178.434 176.300 -0.020 0.000 1.118 370 R CA 1.467 57.569 56.100 0.004 0.000 0.986 370 R CB -0.062 30.239 30.300 0.001 0.000 0.884 370 R HN 0.175 nan 8.270 nan 0.000 0.439 371 T N 0.867 115.412 114.554 -0.014 0.000 2.915 371 T HA -0.053 4.297 4.350 0.001 0.000 0.269 371 T C 0.581 175.252 174.700 -0.048 0.000 1.071 371 T CA 0.773 62.855 62.100 -0.029 0.000 1.132 371 T CB -0.064 68.796 68.868 -0.015 0.000 0.878 371 T HN 0.248 nan 8.240 nan 0.000 0.479 372 K N 0.635 121.019 120.400 -0.027 0.000 3.160 372 K HA -0.151 4.169 4.320 0.001 0.000 0.280 372 K C -0.124 176.463 176.600 -0.021 0.000 1.154 372 K CA 0.319 56.585 56.287 -0.035 0.000 0.822 372 K CB -1.109 31.280 32.500 -0.185 0.000 1.239 372 K HN 0.488 nan 8.250 nan 0.000 0.489 373 E N 1.474 121.673 120.200 -0.002 0.000 2.344 373 E HA 0.071 4.421 4.350 0.001 0.000 0.270 373 E C -2.390 174.225 176.600 0.025 0.000 1.021 373 E CA -1.912 54.490 56.400 0.003 0.000 0.887 373 E CB 0.727 30.427 29.700 0.001 0.000 0.997 373 E HN -0.040 nan 8.360 nan 0.000 0.429 374 P HA 0.003 nan 4.420 nan 0.000 0.267 374 P C -1.177 176.137 177.300 0.025 0.000 1.205 374 P CA 0.014 63.135 63.100 0.035 0.000 0.765 374 P CB 0.685 32.402 31.700 0.029 0.000 0.828 375 A N 3.697 126.535 122.820 0.029 0.000 2.438 375 A HA 0.135 4.456 4.320 0.001 0.000 0.280 375 A C 0.033 177.620 177.584 0.005 0.000 1.160 375 A CA -0.287 51.762 52.037 0.020 0.000 0.821 375 A CB -0.488 18.528 19.000 0.028 0.000 1.101 375 A HN 0.413 nan 8.150 nan 0.000 0.515 376 D N 2.734 123.135 120.400 0.002 0.000 2.402 376 D HA 0.384 5.025 4.640 0.001 0.000 0.235 376 D C 1.284 177.579 176.300 -0.009 0.000 1.226 376 D CA 1.364 55.361 54.000 -0.006 0.000 0.918 376 D CB 0.538 41.336 40.800 -0.004 0.000 1.043 376 D HN 0.953 nan 8.370 nan 0.000 0.506 377 G N 1.454 110.243 108.800 -0.017 0.000 2.232 377 G HA2 -0.327 3.634 3.960 0.001 0.000 0.226 377 G HA3 -0.327 3.634 3.960 0.001 0.000 0.226 377 G C 0.948 175.840 174.900 -0.014 0.000 0.996 377 G CA 0.179 45.268 45.100 -0.019 0.000 0.626 377 G HN 0.475 nan 8.290 nan 0.000 0.509 378 L N 2.090 123.310 121.223 -0.005 0.000 2.046 378 L HA 0.308 4.648 4.340 0.001 0.000 0.208 378 L C 2.719 179.603 176.870 0.024 0.000 1.077 378 L CA 3.290 58.134 54.840 0.006 0.000 0.747 378 L CB -1.081 40.985 42.059 0.012 0.000 0.896 378 L HN 0.428 nan 8.230 nan 0.000 0.432 379 G N -0.787 108.015 108.800 0.004 0.000 2.514 379 G HA2 -0.341 3.620 3.960 0.001 0.000 0.217 379 G HA3 -0.341 3.620 3.960 0.001 0.000 0.217 379 G C 1.611 176.507 174.900 -0.006 0.000 1.198 379 G CA 1.082 46.166 45.100 -0.027 0.000 0.780 379 G HN 0.643 nan 8.290 nan 0.000 0.565 380 A N 0.351 123.148 122.820 -0.039 0.000 1.978 380 A HA -0.029 4.291 4.320 0.001 0.000 0.220 380 A C 2.314 179.906 177.584 0.013 0.000 1.170 380 A CA 2.030 54.053 52.037 -0.023 0.000 0.636 380 A CB -0.318 18.660 19.000 -0.037 0.000 0.810 380 A HN 0.410 nan 8.150 nan 0.000 0.448 381 K N -0.360 120.050 120.400 0.016 0.000 2.001 381 K HA -0.053 4.268 4.320 0.001 0.000 0.208 381 K C 1.866 178.485 176.600 0.032 0.000 1.048 381 K CA 1.503 57.797 56.287 0.012 0.000 0.932 381 K CB -0.404 32.095 32.500 -0.001 0.000 0.715 381 K HN 0.540 nan 8.250 nan 0.000 0.437 382 I N 1.197 121.808 120.570 0.068 0.000 2.151 382 I HA -0.309 3.861 4.170 0.001 0.000 0.243 382 I C 2.213 178.409 176.117 0.131 0.000 1.080 382 I CA 1.514 62.869 61.300 0.091 0.000 1.339 382 I CB -0.948 37.169 38.000 0.195 0.000 1.039 382 I HN 0.233 nan 8.210 nan 0.000 0.409 383 T N 0.339 115.030 114.554 0.228 0.000 2.708 383 T HA -0.228 4.123 4.350 0.001 0.000 0.266 383 T C 1.998 176.751 174.700 0.088 0.000 1.037 383 T CA 1.538 63.768 62.100 0.217 0.000 1.146 383 T CB -0.367 68.600 68.868 0.165 0.000 0.865 383 T HN 0.338 nan 8.240 nan 0.000 0.435 384 R N 1.011 121.542 120.500 0.050 0.000 2.083 384 R HA -0.139 4.202 4.340 0.001 0.000 0.237 384 R C 2.301 178.605 176.300 0.006 0.000 1.137 384 R CA 1.555 57.666 56.100 0.019 0.000 0.951 384 R CB -0.112 30.191 30.300 0.005 0.000 0.851 384 R HN 0.312 nan 8.270 nan 0.000 0.434 385 E N 0.261 120.460 120.200 -0.001 0.000 2.110 385 E HA -0.188 4.163 4.350 0.001 0.000 0.193 385 E C 2.212 178.795 176.600 -0.029 0.000 0.988 385 E CA 1.156 57.544 56.400 -0.020 0.000 0.804 385 E CB -0.513 29.167 29.700 -0.034 0.000 0.745 385 E HN 0.442 nan 8.360 nan 0.000 0.458 386 C N 0.838 120.121 119.300 -0.029 0.000 2.413 386 C HA -0.175 4.286 4.460 0.001 0.000 0.278 386 C C 2.849 177.817 174.990 -0.037 0.000 1.224 386 C CA 1.187 60.174 59.018 -0.052 0.000 1.732 386 C CB -0.889 26.823 27.740 -0.048 0.000 2.050 386 C HN 0.403 nan 8.230 nan 0.000 0.463 387 M N 1.685 121.279 119.600 -0.009 0.000 2.082 387 M HA -0.155 4.325 4.480 0.001 0.000 0.258 387 M C 1.819 178.113 176.300 -0.010 0.000 1.069 387 M CA 1.795 57.093 55.300 -0.003 0.000 1.102 387 M CB -0.682 31.927 32.600 0.015 0.000 1.336 387 M HN 0.378 nan 8.290 nan 0.000 0.404 388 N N -0.048 118.645 118.700 -0.012 0.000 2.149 388 N HA -0.121 4.620 4.740 0.001 0.000 0.188 388 N C 1.631 177.130 175.510 -0.018 0.000 1.019 388 N CA 1.455 54.497 53.050 -0.014 0.000 0.857 388 N CB -0.516 37.961 38.487 -0.015 0.000 0.997 388 N HN 0.423 nan 8.380 nan 0.000 0.426 389 L N -0.291 120.915 121.223 -0.028 0.000 2.552 389 L HA 0.101 4.442 4.340 0.001 0.000 0.227 389 L C 0.979 177.828 176.870 -0.035 0.000 1.146 389 L CA 0.333 55.153 54.840 -0.034 0.000 0.858 389 L CB -0.246 41.783 42.059 -0.050 0.000 0.969 389 L HN 0.255 nan 8.230 nan 0.000 0.451 390 G N 0.874 109.655 108.800 -0.032 0.000 2.140 390 G HA2 -0.241 3.719 3.960 0.001 0.000 0.211 390 G HA3 -0.241 3.719 3.960 0.001 0.000 0.211 390 G C -0.515 174.351 174.900 -0.056 0.000 1.013 390 G CA -0.073 45.011 45.100 -0.026 0.000 0.705 390 G HN 0.134 nan 8.290 nan 0.000 0.508 391 L N 1.175 122.346 121.223 -0.087 0.000 2.372 391 L HA 0.805 5.146 4.340 0.001 0.000 0.273 391 L C 0.329 177.147 176.870 -0.085 0.000 0.989 391 L CA -0.567 54.180 54.840 -0.155 0.000 0.841 391 L CB 1.807 43.721 42.059 -0.241 0.000 1.225 391 L HN 0.233 nan 8.230 nan 0.000 0.414 392 S N 6.481 122.150 115.700 -0.052 0.000 2.465 392 S HA 0.578 5.049 4.470 0.001 0.000 0.280 392 S C -0.079 174.571 174.600 0.083 0.000 1.232 392 S CA -0.342 57.873 58.200 0.025 0.000 1.066 392 S CB -0.149 63.075 63.200 0.041 0.000 0.929 392 S HN 0.620 nan 8.310 nan 0.000 0.494 393 M N 4.155 123.821 119.600 0.111 0.000 2.727 393 M HA 0.468 4.949 4.480 0.001 0.000 0.300 393 M C -0.415 175.993 176.300 0.179 0.000 1.246 393 M CA -0.801 54.614 55.300 0.192 0.000 0.835 393 M CB 1.973 34.729 32.600 0.260 0.000 1.755 393 M HN 0.671 nan 8.290 nan 0.000 0.473 394 N N 1.399 120.222 118.700 0.205 0.000 2.397 394 N HA 0.523 5.264 4.740 0.001 0.000 0.291 394 N C -2.301 173.206 175.510 -0.005 0.000 1.065 394 N CA -0.263 52.835 53.050 0.079 0.000 0.884 394 N CB 2.608 41.120 38.487 0.042 0.000 1.551 394 N HN 0.796 nan 8.380 nan 0.000 0.487 395 I N 2.894 123.370 120.570 -0.156 0.000 2.693 395 I HA 0.554 4.724 4.170 0.001 0.000 0.303 395 I C -0.810 175.166 176.117 -0.235 0.000 1.025 395 I CA -0.833 60.255 61.300 -0.353 0.000 1.086 395 I CB 1.933 39.531 38.000 -0.670 0.000 1.268 395 I HN 0.360 nan 8.210 nan 0.000 0.440 396 V N 3.664 123.443 119.914 -0.225 0.000 2.735 396 V HA 0.619 4.740 4.120 0.001 0.000 0.310 396 V C -1.154 174.853 176.094 -0.145 0.000 1.061 396 V CA -0.458 61.743 62.300 -0.166 0.000 0.913 396 V CB 1.679 33.413 31.823 -0.148 0.000 1.005 396 V HN 0.905 nan 8.190 nan 0.000 0.428 397 Q N 3.484 123.216 119.800 -0.112 0.000 2.310 397 Q HA 0.651 4.991 4.340 0.001 0.000 0.270 397 Q C -1.819 174.152 176.000 -0.049 0.000 1.025 397 Q CA -0.682 55.074 55.803 -0.080 0.000 0.772 397 Q CB 1.908 30.599 28.738 -0.077 0.000 1.253 397 Q HN 0.840 nan 8.270 nan 0.000 0.450 398 L N 4.395 125.602 121.223 -0.026 0.000 2.333 398 L HA 0.657 4.998 4.340 0.001 0.000 0.269 398 L C -2.179 174.701 176.870 0.017 0.000 1.010 398 L CA -2.231 52.606 54.840 -0.005 0.000 0.818 398 L CB 1.044 43.098 42.059 -0.008 0.000 1.306 398 L HN 0.641 nan 8.230 nan 0.000 0.430 399 P HA 0.147 nan 4.420 nan 0.000 0.266 399 P C 0.782 178.110 177.300 0.047 0.000 1.195 399 P CA 0.526 63.645 63.100 0.033 0.000 0.768 399 P CB 0.609 32.333 31.700 0.040 0.000 0.838 400 G N 1.243 110.069 108.800 0.043 0.000 2.189 400 G HA2 -0.273 3.688 3.960 0.001 0.000 0.267 400 G HA3 -0.273 3.688 3.960 0.001 0.000 0.267 400 G C 0.090 175.033 174.900 0.071 0.000 0.975 400 G CA 0.292 45.422 45.100 0.049 0.000 0.644 400 G HN 0.520 nan 8.290 nan 0.000 0.537 401 M N -0.014 119.638 119.600 0.086 0.000 2.662 401 M HA 0.570 5.050 4.480 0.001 0.000 0.310 401 M C 0.880 177.235 176.300 0.093 0.000 1.204 401 M CA -0.218 55.161 55.300 0.132 0.000 0.891 401 M CB 2.079 34.773 32.600 0.157 0.000 1.732 401 M HN 0.205 nan 8.290 nan 0.000 0.467 402 G N 0.168 109.043 108.800 0.125 0.000 2.539 402 G HA2 0.469 4.429 3.960 0.001 0.000 0.258 402 G HA3 0.469 4.429 3.960 0.001 0.000 0.258 402 G C 0.114 175.037 174.900 0.038 0.000 1.202 402 G CA -0.493 44.656 45.100 0.082 0.000 0.851 402 G HN 0.858 nan 8.290 nan 0.000 0.556 403 G N -1.293 107.495 108.800 -0.021 0.000 2.414 403 G HA2 0.399 4.359 3.960 0.001 0.000 0.236 403 G HA3 0.399 4.359 3.960 0.001 0.000 0.236 403 G C -0.385 174.441 174.900 -0.122 0.000 1.293 403 G CA -0.071 44.965 45.100 -0.106 0.000 0.869 403 G HN 0.692 nan 8.290 nan 0.000 0.556 404 V N 2.370 122.185 119.914 -0.165 0.000 2.540 404 V HA 0.390 4.511 4.120 0.001 0.000 0.302 404 V C -0.667 175.317 176.094 -0.184 0.000 1.035 404 V CA -0.731 61.504 62.300 -0.109 0.000 0.873 404 V CB 1.643 33.436 31.823 -0.050 0.000 0.992 404 V HN 0.572 nan 8.190 nan 0.000 0.428 405 F N 3.763 123.704 119.950 -0.015 0.000 2.420 405 F HA 0.487 5.015 4.527 0.001 0.000 0.352 405 F C 1.062 176.850 175.800 -0.020 0.000 1.108 405 F CA -0.299 57.695 58.000 -0.011 0.000 1.162 405 F CB 0.879 39.883 39.000 0.005 0.000 1.118 405 F HN 0.269 nan 8.300 nan 0.000 0.510 406 R N 5.338 125.925 120.500 0.145 0.000 2.198 406 R HA 0.476 4.817 4.340 0.001 0.000 0.339 406 R C -0.793 175.552 176.300 0.074 0.000 1.020 406 R CA -0.365 55.772 56.100 0.062 0.000 0.864 406 R CB 0.782 31.081 30.300 -0.002 0.000 1.105 406 R HN 0.596 nan 8.270 nan 0.000 0.463 407 I N 1.827 122.413 120.570 0.026 0.000 2.377 407 I HA 0.440 4.611 4.170 0.001 0.000 0.293 407 I C 0.115 176.145 176.117 -0.145 0.000 0.987 407 I CA -0.469 60.802 61.300 -0.049 0.000 1.185 407 I CB 1.929 39.882 38.000 -0.077 0.000 1.341 407 I HN 0.646 nan 8.210 nan 0.000 0.455 408 A N 7.463 130.158 122.820 -0.209 0.000 2.913 408 A HA 0.488 4.808 4.320 0.001 0.000 0.284 408 A C -2.847 174.604 177.584 -0.222 0.000 1.273 408 A CA -0.902 51.018 52.037 -0.196 0.000 0.899 408 A CB 0.022 18.962 19.000 -0.100 0.000 1.444 408 A HN 0.333 nan 8.150 nan 0.000 0.586 409 P HA 0.405 nan 4.420 nan 0.000 0.275 409 P C -2.737 174.465 177.300 -0.162 0.000 1.266 409 P CA -1.248 61.673 63.100 -0.297 0.000 0.793 409 P CB -0.294 31.122 31.700 -0.473 0.000 1.074 410 P HA 0.134 nan 4.420 nan 0.000 0.269 410 P C 0.960 178.218 177.300 -0.070 0.000 1.215 410 P CA 0.143 63.196 63.100 -0.077 0.000 0.780 410 P CB 0.266 31.938 31.700 -0.047 0.000 0.898 411 L N 0.920 122.107 121.223 -0.060 0.000 2.376 411 L HA -0.083 4.258 4.340 0.001 0.000 0.219 411 L C 1.779 178.635 176.870 -0.024 0.000 1.133 411 L CA 1.596 56.405 54.840 -0.052 0.000 0.816 411 L CB -1.065 40.961 42.059 -0.056 0.000 0.933 411 L HN 0.478 nan 8.230 nan 0.000 0.449 412 T N -3.663 110.890 114.554 -0.002 0.000 3.144 412 T HA 0.110 4.460 4.350 0.001 0.000 0.249 412 T C 0.663 175.380 174.700 0.029 0.000 1.089 412 T CA -0.273 61.846 62.100 0.032 0.000 0.989 412 T CB -0.283 68.632 68.868 0.080 0.000 0.992 412 T HN 0.018 nan 8.240 nan 0.000 0.540 413 V N 3.576 123.493 119.914 0.004 0.000 2.788 413 V HA 0.352 4.472 4.120 0.001 0.000 0.307 413 V C 0.577 176.688 176.094 0.028 0.000 1.069 413 V CA 0.058 62.364 62.300 0.010 0.000 1.173 413 V CB 0.652 32.464 31.823 -0.019 0.000 0.925 413 V HN 0.799 nan 8.190 nan 0.000 0.492 414 S N 3.812 119.543 115.700 0.051 0.000 2.713 414 S HA 0.425 4.896 4.470 0.001 0.000 0.283 414 S C 0.763 175.397 174.600 0.057 0.000 1.161 414 S CA -0.033 58.201 58.200 0.056 0.000 0.999 414 S CB 1.399 64.644 63.200 0.075 0.000 1.039 414 S HN 0.792 nan 8.310 nan 0.000 0.548 415 E N 0.515 120.744 120.200 0.049 0.000 2.110 415 E HA -0.154 4.197 4.350 0.001 0.000 0.193 415 E C 0.966 177.602 176.600 0.059 0.000 0.988 415 E CA 1.350 57.778 56.400 0.047 0.000 0.804 415 E CB -0.210 29.511 29.700 0.035 0.000 0.745 415 E HN 0.632 nan 8.360 nan 0.000 0.458 416 D N 1.142 121.582 120.400 0.067 0.000 2.117 416 D HA -0.135 4.505 4.640 0.001 0.000 0.198 416 D C 1.739 178.094 176.300 0.092 0.000 0.982 416 D CA 1.004 55.049 54.000 0.075 0.000 0.828 416 D CB -0.122 40.727 40.800 0.081 0.000 0.967 416 D HN 0.287 nan 8.370 nan 0.000 0.464 417 E N 0.309 120.574 120.200 0.108 0.000 2.106 417 E HA -0.095 4.255 4.350 0.001 0.000 0.192 417 E C 2.194 178.870 176.600 0.127 0.000 0.984 417 E CA 0.288 56.750 56.400 0.104 0.000 0.806 417 E CB 0.153 29.894 29.700 0.067 0.000 0.750 417 E HN 0.230 nan 8.360 nan 0.000 0.458 418 I N 1.794 122.450 120.570 0.143 0.000 2.286 418 I HA -0.226 3.945 4.170 0.001 0.000 0.248 418 I C 1.594 177.796 176.117 0.141 0.000 1.115 418 I CA 1.350 62.764 61.300 0.191 0.000 1.392 418 I CB -0.681 37.383 38.000 0.106 0.000 1.065 418 I HN 0.100 nan 8.210 nan 0.000 0.418 419 D N 0.654 121.104 120.400 0.083 0.000 2.084 419 D HA -0.157 4.483 4.640 0.001 0.000 0.196 419 D C 2.095 178.412 176.300 0.028 0.000 0.985 419 D CA 0.795 54.827 54.000 0.053 0.000 0.826 419 D CB -0.455 40.370 40.800 0.042 0.000 0.978 419 D HN 0.126 nan 8.370 nan 0.000 0.456 420 L N 1.250 122.487 121.223 0.023 0.000 1.990 420 L HA -0.106 4.235 4.340 0.001 0.000 0.213 420 L C 2.176 178.988 176.870 -0.096 0.000 1.072 420 L CA 2.412 57.246 54.840 -0.010 0.000 0.755 420 L CB -1.179 40.899 42.059 0.030 0.000 0.889 420 L HN 0.093 nan 8.230 nan 0.000 0.432 421 G N -0.615 108.076 108.800 -0.182 0.000 2.446 421 G HA2 -0.266 3.695 3.960 0.001 0.000 0.217 421 G HA3 -0.266 3.695 3.960 0.001 0.000 0.217 421 G C 1.665 176.443 174.900 -0.203 0.000 1.168 421 G CA 1.096 45.923 45.100 -0.454 0.000 0.771 421 G HN 0.460 nan 8.290 nan 0.000 0.551 422 L N 0.833 122.041 121.223 -0.025 0.000 2.079 422 L HA -0.111 4.230 4.340 0.001 0.000 0.210 422 L C 3.183 180.044 176.870 -0.016 0.000 1.081 422 L CA 1.414 56.262 54.840 0.013 0.000 0.752 422 L CB -0.343 41.745 42.059 0.049 0.000 0.896 422 L HN 0.413 nan 8.230 nan 0.000 0.433 423 S N 0.253 115.938 115.700 -0.024 0.000 2.348 423 S HA -0.160 4.311 4.470 0.001 0.000 0.221 423 S C 2.031 176.608 174.600 -0.039 0.000 1.033 423 S CA 1.171 59.361 58.200 -0.017 0.000 1.010 423 S CB -0.346 62.846 63.200 -0.013 0.000 0.891 423 S HN 0.337 nan 8.310 nan 0.000 0.442 424 L N 1.147 122.323 121.223 -0.079 0.000 2.079 424 L HA -0.072 4.269 4.340 0.001 0.000 0.210 424 L C 2.713 179.517 176.870 -0.110 0.000 1.081 424 L CA 1.182 55.965 54.840 -0.096 0.000 0.752 424 L CB -0.667 41.310 42.059 -0.136 0.000 0.896 424 L HN 0.386 nan 8.230 nan 0.000 0.433 425 L N 0.029 121.171 121.223 -0.134 0.000 2.046 425 L HA -0.165 4.176 4.340 0.001 0.000 0.208 425 L C 2.450 179.257 176.870 -0.105 0.000 1.077 425 L CA 1.885 56.633 54.840 -0.153 0.000 0.747 425 L CB -0.811 41.157 42.059 -0.152 0.000 0.896 425 L HN 0.342 nan 8.230 nan 0.000 0.432 426 G N -0.951 107.837 108.800 -0.019 0.000 2.421 426 G HA2 -0.278 3.682 3.960 0.001 0.000 0.216 426 G HA3 -0.278 3.682 3.960 0.001 0.000 0.216 426 G C 1.357 176.278 174.900 0.034 0.000 1.171 426 G CA 0.501 45.654 45.100 0.090 0.000 0.775 426 G HN 0.481 nan 8.290 nan 0.000 0.543 427 Q N 0.389 120.191 119.800 0.004 0.000 2.096 427 Q HA -0.025 4.315 4.340 0.001 0.000 0.204 427 Q C 2.961 178.925 176.000 -0.059 0.000 0.982 427 Q CA 1.307 57.105 55.803 -0.009 0.000 0.850 427 Q CB -0.320 28.410 28.738 -0.014 0.000 0.901 427 Q HN 0.469 nan 8.270 nan 0.000 0.422 428 A N 1.057 123.822 122.820 -0.093 0.000 1.933 428 A HA -0.152 4.169 4.320 0.001 0.000 0.218 428 A C 2.065 179.553 177.584 -0.160 0.000 1.175 428 A CA 1.101 53.073 52.037 -0.108 0.000 0.628 428 A CB -0.575 18.361 19.000 -0.107 0.000 0.814 428 A HN 0.306 nan 8.150 nan 0.000 0.444 429 I N 0.285 120.698 120.570 -0.262 0.000 2.315 429 I HA -0.267 3.904 4.170 0.001 0.000 0.248 429 I C 2.566 178.408 176.117 -0.458 0.000 1.117 429 I CA 1.662 62.698 61.300 -0.440 0.000 1.404 429 I CB -0.499 37.001 38.000 -0.833 0.000 1.071 429 I HN 0.644 nan 8.210 nan 0.000 0.419 430 E N 1.357 121.359 120.200 -0.329 0.000 2.106 430 E HA -0.247 4.104 4.350 0.001 0.000 0.192 430 E C 2.256 178.818 176.600 -0.063 0.000 0.984 430 E CA 0.920 57.253 56.400 -0.111 0.000 0.806 430 E CB -0.288 29.488 29.700 0.126 0.000 0.750 430 E HN 0.344 nan 8.360 nan 0.000 0.458 431 R N 0.356 120.815 120.500 -0.069 0.000 2.148 431 R HA 0.045 4.386 4.340 0.001 0.000 0.227 431 R C 2.207 178.477 176.300 -0.050 0.000 1.103 431 R CA 1.223 57.297 56.100 -0.043 0.000 0.983 431 R CB -0.170 30.105 30.300 -0.041 0.000 0.874 431 R HN 0.337 nan 8.270 nan 0.000 0.451 432 A N 0.031 122.804 122.820 -0.080 0.000 2.123 432 A HA 0.116 4.437 4.320 0.001 0.000 0.214 432 A C 0.722 178.274 177.584 -0.052 0.000 1.152 432 A CA 0.316 52.315 52.037 -0.063 0.000 0.728 432 A CB -0.077 18.882 19.000 -0.069 0.000 0.814 432 A HN 0.094 nan 8.150 nan 0.000 0.464 433 L N 0.000 121.187 121.223 -0.060 0.000 2.949 433 L HA 0.000 4.341 4.340 0.001 0.000 0.249 433 L CA 0.000 54.822 54.840 -0.030 0.000 0.813 433 L CB 0.000 42.047 42.059 -0.021 0.000 0.961 433 L HN 0.000 nan 8.230 nan 0.000 0.502