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 1d7s_1_A DATA FIRST_RESID 3 DATA SEQUENCE LNDDATFWRN ARQHLVRYGG 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 0.000 176.875 176.870 0.008 0.000 1.165 3 L CA 0.000 54.845 54.840 0.009 0.000 0.813 3 L CB 0.000 42.073 42.059 0.023 0.000 0.961 4 N N 0.303 119.027 118.700 0.040 0.000 2.515 4 N HA -0.010 4.730 4.740 0.000 0.000 0.191 4 N C -0.353 175.310 175.510 0.255 0.000 1.182 4 N CA 0.490 53.595 53.050 0.092 0.000 0.879 4 N CB 0.124 38.680 38.487 0.114 0.000 0.984 4 N HN 0.423 nan 8.380 nan 0.000 0.453 5 D N 0.029 120.534 120.400 0.175 0.000 2.368 5 D HA -0.035 4.605 4.640 0.000 0.000 0.218 5 D C 0.007 176.476 176.300 0.282 0.000 1.112 5 D CA -0.107 54.042 54.000 0.249 0.000 0.834 5 D CB -0.060 40.810 40.800 0.117 0.000 0.953 5 D HN 0.065 nan 8.370 nan 0.000 0.505 6 D N 1.199 121.713 120.400 0.191 0.000 2.536 6 D HA -0.071 4.569 4.640 0.000 0.000 0.260 6 D C 1.212 177.676 176.300 0.273 0.000 1.270 6 D CA 0.026 54.117 54.000 0.152 0.000 0.934 6 D CB 0.768 41.602 40.800 0.055 0.000 1.129 6 D HN 0.084 nan 8.370 nan 0.000 0.533 7 A N 3.562 126.516 122.820 0.222 0.000 2.067 7 A HA -0.122 4.198 4.320 0.000 0.000 0.219 7 A C 2.142 179.839 177.584 0.188 0.000 1.158 7 A CA 1.396 53.572 52.037 0.233 0.000 0.661 7 A CB -0.186 18.903 19.000 0.148 0.000 0.801 7 A HN 0.626 nan 8.150 nan 0.000 0.452 8 T N -0.836 113.803 114.554 0.142 0.000 2.777 8 T HA -0.100 4.250 4.350 0.000 0.000 0.266 8 T C 1.587 176.336 174.700 0.082 0.000 1.040 8 T CA 1.442 63.599 62.100 0.096 0.000 1.141 8 T CB -0.386 68.528 68.868 0.075 0.000 0.868 8 T HN 0.522 nan 8.240 nan 0.000 0.444 9 F N 0.446 120.349 119.950 -0.078 0.000 2.046 9 F HA -0.113 4.414 4.527 0.000 0.000 0.297 9 F C 1.912 177.550 175.800 -0.270 0.000 1.123 9 F CA 1.358 59.213 58.000 -0.243 0.000 1.199 9 F CB -0.453 38.301 39.000 -0.411 0.000 0.972 9 F HN 0.176 nan 8.300 nan 0.000 0.474 10 W N 0.769 122.238 121.300 0.282 0.000 2.392 10 W HA -0.101 4.559 4.660 0.001 0.000 0.279 10 W C 2.724 179.243 176.519 0.000 0.000 1.225 10 W CA 1.197 58.626 57.345 0.139 0.000 1.233 10 W CB -0.371 29.204 29.460 0.192 0.000 1.122 10 W HN 0.008 nan 8.180 nan 0.000 0.561 11 R N 0.706 121.308 120.500 0.170 0.000 2.062 11 R HA -0.132 4.208 4.340 0.000 0.000 0.229 11 R C 1.766 178.042 176.300 -0.042 0.000 1.128 11 R CA 1.628 57.769 56.100 0.069 0.000 0.960 11 R CB -0.573 29.763 30.300 0.060 0.000 0.855 11 R HN 0.076 nan 8.270 nan 0.000 0.432 12 N N 0.919 119.567 118.700 -0.087 0.000 2.188 12 N HA -0.118 4.622 4.740 0.000 0.000 0.184 12 N C 1.605 177.014 175.510 -0.167 0.000 1.018 12 N CA 1.406 54.394 53.050 -0.102 0.000 0.858 12 N CB -0.316 38.131 38.487 -0.065 0.000 0.989 12 N HN 0.332 nan 8.380 nan 0.000 0.426 13 A N 1.640 124.293 122.820 -0.279 0.000 1.877 13 A HA -0.116 4.205 4.320 0.000 0.000 0.216 13 A C 2.247 179.810 177.584 -0.036 0.000 1.186 13 A CA 1.193 53.080 52.037 -0.250 0.000 0.620 13 A CB -0.406 18.394 19.000 -0.334 0.000 0.822 13 A HN 0.234 nan 8.150 nan 0.000 0.443 14 R N -0.838 119.678 120.500 0.027 0.000 2.092 14 R HA -0.118 4.222 4.340 0.000 0.000 0.231 14 R C 2.405 178.678 176.300 -0.044 0.000 1.119 14 R CA 1.600 57.730 56.100 0.050 0.000 0.970 14 R CB -0.277 30.065 30.300 0.070 0.000 0.864 14 R HN 0.669 nan 8.270 nan 0.000 0.440 15 Q N -0.857 118.831 119.800 -0.186 0.000 2.187 15 Q HA -0.052 4.288 4.340 0.000 0.000 0.199 15 Q C 0.850 176.608 176.000 -0.403 0.000 0.957 15 Q CA 0.842 56.416 55.803 -0.382 0.000 0.857 15 Q CB 0.440 28.729 28.738 -0.748 0.000 0.929 15 Q HN 0.517 nan 8.270 nan 0.000 0.453 16 H N -1.460 117.606 119.070 -0.008 0.000 2.784 16 H HA 0.298 4.854 4.556 0.001 0.000 0.273 16 H C -0.302 175.031 175.328 0.008 0.000 1.112 16 H CA 0.057 56.099 56.048 -0.009 0.000 1.162 16 H CB 0.707 30.445 29.762 -0.039 0.000 1.586 16 H HN 0.071 nan 8.280 nan 0.000 0.548 17 L N 1.308 122.603 121.223 0.119 0.000 2.329 17 L HA 0.358 4.698 4.340 0.000 0.000 0.279 17 L C 0.068 177.058 176.870 0.200 0.000 1.014 17 L CA -0.971 53.962 54.840 0.156 0.000 0.814 17 L CB 2.726 44.879 42.059 0.156 0.000 1.257 17 L HN -0.203 nan 8.230 nan 0.000 0.424 18 V N 3.459 123.508 119.914 0.226 0.000 2.530 18 V HA 0.236 4.356 4.120 0.000 0.000 0.282 18 V C 0.421 176.698 176.094 0.305 0.000 1.048 18 V CA -0.382 62.049 62.300 0.218 0.000 0.997 18 V CB 1.202 33.142 31.823 0.196 0.000 0.987 18 V HN 0.668 nan 8.190 nan 0.000 0.477 19 R N 3.804 124.398 120.500 0.158 0.000 2.308 19 R HA 0.320 4.661 4.340 0.000 0.000 0.305 19 R C -0.321 175.983 176.300 0.006 0.000 1.053 19 R CA -0.166 55.911 56.100 -0.039 0.000 0.957 19 R CB 0.531 30.754 30.300 -0.128 0.000 1.022 19 R HN 0.859 nan 8.270 nan 0.000 0.461 20 Y N -0.861 119.424 120.300 -0.025 0.000 2.719 20 Y HA 0.543 5.093 4.550 0.000 0.000 0.251 20 Y C 0.194 176.090 175.900 -0.007 0.000 1.159 20 Y CA -0.673 57.434 58.100 0.012 0.000 1.166 20 Y CB 0.858 39.357 38.460 0.065 0.000 1.219 20 Y HN 0.679 nan 8.280 nan 0.000 0.551 21 G N -0.387 108.287 108.800 -0.210 0.000 2.760 21 G HA2 0.467 4.427 3.960 0.000 0.000 0.540 21 G HA3 0.467 4.427 3.960 0.000 0.000 0.540 21 G C -0.090 174.641 174.900 -0.282 0.000 1.476 21 G CA -0.373 44.649 45.100 -0.130 0.000 0.949 21 G HN 1.351 nan 8.290 nan 0.000 0.633 22 G N 0.340 109.012 108.800 -0.214 0.000 2.593 22 G HA2 0.442 4.403 3.960 0.000 0.000 0.237 22 G HA3 0.442 4.403 3.960 0.000 0.000 0.237 22 G C 0.275 174.978 174.900 -0.329 0.000 1.312 22 G CA 0.702 45.667 45.100 -0.225 0.000 0.896 22 G HN 2.725 nan 8.290 nan 0.000 0.574 23 T N -2.031 112.345 114.554 -0.295 0.000 2.906 23 T HA 0.674 5.025 4.350 0.000 0.000 0.295 23 T C -0.335 174.222 174.700 -0.239 0.000 1.061 23 T CA -0.712 61.209 62.100 -0.298 0.000 1.000 23 T CB 1.946 70.733 68.868 -0.135 0.000 1.103 23 T HN 0.689 nan 8.240 nan 0.000 0.486 24 F N 1.397 121.350 119.950 0.004 0.000 2.396 24 F HA 0.339 4.867 4.527 0.001 0.000 0.343 24 F C 1.246 177.113 175.800 0.111 0.000 1.104 24 F CA -1.018 57.038 58.000 0.093 0.000 1.161 24 F CB 0.826 39.956 39.000 0.217 0.000 1.146 24 F HN 0.417 nan 8.300 nan 0.000 0.522 25 E N 4.409 124.822 120.200 0.355 0.000 2.414 25 E HA 0.021 4.372 4.350 0.000 0.000 0.263 25 E C -1.898 174.871 176.600 0.281 0.000 1.000 25 E CA -1.612 54.926 56.400 0.230 0.000 0.914 25 E CB 0.390 30.207 29.700 0.194 0.000 0.948 25 E HN 0.221 nan 8.360 nan 0.000 0.444 26 P HA 0.060 nan 4.420 nan 0.000 0.228 26 P C -0.388 177.008 177.300 0.160 0.000 1.748 26 P CA 0.312 63.400 63.100 -0.020 0.000 0.909 26 P CB -0.407 31.205 31.700 -0.146 0.000 1.882 27 M N -1.124 118.703 119.600 0.379 0.000 2.721 27 M HA 0.543 5.024 4.480 0.000 0.000 0.271 27 M C -1.700 174.735 176.300 0.226 0.000 1.259 27 M CA -1.370 54.092 55.300 0.270 0.000 0.835 27 M CB 1.969 34.646 32.600 0.128 0.000 1.689 27 M HN -0.331 nan 8.290 nan 0.000 0.470 28 I N 2.825 123.384 120.570 -0.019 0.000 2.382 28 I HA 0.364 4.534 4.170 0.000 0.000 0.286 28 I C -0.714 175.328 176.117 -0.124 0.000 1.002 28 I CA -0.873 60.260 61.300 -0.279 0.000 1.135 28 I CB 1.711 39.290 38.000 -0.701 0.000 1.288 28 I HN 0.515 nan 8.210 nan 0.000 0.448 29 I N 6.710 127.247 120.570 -0.056 0.000 2.379 29 I HA 0.125 4.295 4.170 0.000 0.000 0.290 29 I C 1.275 177.381 176.117 -0.019 0.000 1.063 29 I CA 0.288 61.581 61.300 -0.012 0.000 1.351 29 I CB 0.704 38.711 38.000 0.011 0.000 1.410 29 I HN 0.680 nan 8.210 nan 0.000 0.505 30 E N 5.945 126.145 120.200 0.001 0.000 2.251 30 E HA 0.060 4.410 4.350 0.000 0.000 0.194 30 E C 0.589 177.205 176.600 0.026 0.000 0.964 30 E CA 0.320 56.719 56.400 -0.001 0.000 0.868 30 E CB 0.691 30.382 29.700 -0.015 0.000 0.828 30 E HN 0.653 nan 8.360 nan 0.000 0.481 31 R N -0.301 120.245 120.500 0.077 0.000 2.734 31 R HA 0.704 5.044 4.340 0.000 0.000 0.271 31 R C -1.751 174.661 176.300 0.187 0.000 1.021 31 R CA -0.716 55.441 56.100 0.095 0.000 0.893 31 R CB 1.586 31.905 30.300 0.031 0.000 1.244 31 R HN -0.053 nan 8.270 nan 0.000 0.464 32 A N 1.664 124.570 122.820 0.145 0.000 2.520 32 A HA 0.737 5.058 4.320 0.000 0.000 0.298 32 A C -1.515 176.197 177.584 0.212 0.000 1.051 32 A CA -0.800 51.283 52.037 0.077 0.000 0.690 32 A CB 2.109 20.933 19.000 -0.292 0.000 1.281 32 A HN 0.670 nan 8.150 nan 0.000 0.402 33 K N 1.470 122.060 120.400 0.317 0.000 2.571 33 K HA 0.507 4.827 4.320 0.000 0.000 0.252 33 K C 0.477 177.286 176.600 0.348 0.000 0.956 33 K CA 0.365 56.844 56.287 0.321 0.000 0.822 33 K CB 1.595 34.261 32.500 0.278 0.000 1.286 33 K HN 2.353 nan 8.250 nan 0.000 0.439 34 G N 1.878 110.846 108.800 0.279 0.000 2.611 34 G HA2 -0.326 3.634 3.960 0.000 0.000 0.301 34 G HA3 -0.326 3.634 3.960 0.000 0.000 0.301 34 G C 0.368 175.403 174.900 0.226 0.000 1.233 34 G CA 0.435 45.673 45.100 0.230 0.000 0.993 34 G HN 0.555 nan 8.290 nan 0.000 0.553 35 S N 0.660 116.429 115.700 0.116 0.000 2.701 35 S HA 0.464 4.934 4.470 0.000 0.000 0.220 35 S C -0.015 174.339 174.600 -0.410 0.000 0.954 35 S CA 0.579 58.703 58.200 -0.127 0.000 0.936 35 S CB -0.256 62.789 63.200 -0.257 0.000 0.777 35 S HN 0.392 nan 8.310 nan 0.000 0.518 36 F N 0.824 120.810 119.950 0.060 0.000 2.563 36 F HA 0.594 5.121 4.527 0.000 0.000 0.316 36 F C -0.101 175.487 175.800 -0.353 0.000 1.076 36 F CA -1.305 56.578 58.000 -0.194 0.000 0.921 36 F CB 1.616 40.379 39.000 -0.396 0.000 1.209 36 F HN -0.135 nan 8.300 nan 0.000 0.462 37 V N -0.343 119.400 119.914 -0.286 0.000 2.715 37 V HA 0.662 4.782 4.120 0.000 0.000 0.310 37 V C -1.735 174.101 176.094 -0.431 0.000 1.054 37 V CA -1.049 61.068 62.300 -0.306 0.000 0.928 37 V CB 1.726 33.426 31.823 -0.205 0.000 1.007 37 V HN 0.633 nan 8.190 nan 0.000 0.437 38 Y N 2.119 122.417 120.300 -0.003 0.000 2.376 38 Y HA 0.608 5.159 4.550 0.001 0.000 0.340 38 Y C 0.226 176.115 175.900 -0.017 0.000 0.965 38 Y CA -0.864 57.234 58.100 -0.002 0.000 1.078 38 Y CB 1.448 39.898 38.460 -0.017 0.000 1.193 38 Y HN 0.971 nan 8.280 nan 0.000 0.452 39 D N 1.134 121.602 120.400 0.113 0.000 2.398 39 D HA 0.237 4.878 4.640 0.000 0.000 0.264 39 D C 1.134 177.456 176.300 0.036 0.000 1.263 39 D CA -0.157 53.875 54.000 0.053 0.000 1.037 39 D CB 0.482 41.305 40.800 0.038 0.000 1.101 39 D HN 0.527 nan 8.370 nan 0.000 0.551 40 A N -0.634 122.180 122.820 -0.010 0.000 2.067 40 A HA -0.114 4.206 4.320 0.000 0.000 0.219 40 A C 1.363 178.940 177.584 -0.011 0.000 1.158 40 A CA 1.210 53.227 52.037 -0.034 0.000 0.661 40 A CB -0.471 18.482 19.000 -0.079 0.000 0.801 40 A HN 0.516 nan 8.150 nan 0.000 0.452 41 D N -1.289 119.116 120.400 0.008 0.000 2.340 41 D HA 0.248 4.888 4.640 0.000 0.000 0.220 41 D C 1.371 177.682 176.300 0.018 0.000 1.039 41 D CA 1.042 55.047 54.000 0.009 0.000 0.866 41 D CB 0.196 41.003 40.800 0.012 0.000 0.913 41 D HN 0.565 nan 8.370 nan 0.000 0.523 42 G N 1.655 110.479 108.800 0.040 0.000 2.176 42 G HA2 -0.319 3.641 3.960 0.000 0.000 0.253 42 G HA3 -0.319 3.641 3.960 0.000 0.000 0.253 42 G C 0.488 175.471 174.900 0.137 0.000 0.979 42 G CA -0.093 45.043 45.100 0.061 0.000 0.641 42 G HN 0.384 nan 8.290 nan 0.000 0.530 43 R N 0.832 121.395 120.500 0.105 0.000 2.489 43 R HA 0.538 4.878 4.340 0.000 0.000 0.287 43 R C 0.630 176.994 176.300 0.107 0.000 1.053 43 R CA 0.463 56.615 56.100 0.086 0.000 1.036 43 R CB 0.246 30.571 30.300 0.042 0.000 0.966 43 R HN 0.609 nan 8.270 nan 0.000 0.432 44 A N 5.461 128.308 122.820 0.045 0.000 2.301 44 A HA 0.423 4.743 4.320 0.000 0.000 0.298 44 A C -0.736 176.815 177.584 -0.055 0.000 1.185 44 A CA -0.646 51.272 52.037 -0.200 0.000 0.830 44 A CB 0.504 19.302 19.000 -0.337 0.000 1.112 44 A HN 0.613 nan 8.150 nan 0.000 0.508 45 I N 2.662 123.201 120.570 -0.053 0.000 2.362 45 I HA 0.247 4.417 4.170 0.000 0.000 0.289 45 I C -0.208 175.950 176.117 0.069 0.000 0.994 45 I CA -0.429 60.887 61.300 0.027 0.000 1.158 45 I CB 1.613 39.596 38.000 -0.027 0.000 1.315 45 I HN 0.601 nan 8.210 nan 0.000 0.451 46 L N 6.288 127.515 121.223 0.007 0.000 2.433 46 L HA 0.234 4.574 4.340 0.000 0.000 0.275 46 L C 0.248 176.991 176.870 -0.211 0.000 1.128 46 L CA 0.444 55.049 54.840 -0.393 0.000 0.875 46 L CB 0.008 41.825 42.059 -0.403 0.000 1.171 46 L HN 0.473 nan 8.230 nan 0.000 0.463 47 D N 4.599 124.900 120.400 -0.166 0.000 2.508 47 D HA -0.013 4.627 4.640 0.000 0.000 0.224 47 D C 0.536 176.930 176.300 0.157 0.000 1.171 47 D CA 0.031 54.051 54.000 0.034 0.000 1.006 47 D CB -0.043 40.832 40.800 0.124 0.000 1.073 47 D HN 0.466 nan 8.370 nan 0.000 0.513 48 F N 0.991 120.890 119.950 -0.085 0.000 2.816 48 F HA 0.003 4.530 4.527 0.000 0.000 0.302 48 F C 2.032 177.809 175.800 -0.038 0.000 1.178 48 F CA 0.523 58.480 58.000 -0.071 0.000 1.421 48 F CB -0.175 38.785 39.000 -0.066 0.000 1.114 48 F HN 0.273 nan 8.300 nan 0.000 0.573 49 T N -5.624 108.991 114.554 0.102 0.000 3.111 49 T HA 0.133 4.483 4.350 0.000 0.000 0.284 49 T C 0.748 175.452 174.700 0.007 0.000 0.983 49 T CA 0.353 62.474 62.100 0.036 0.000 0.900 49 T CB -0.348 68.553 68.868 0.055 0.000 1.132 49 T HN -0.073 nan 8.240 nan 0.000 0.531 50 S N 1.197 116.899 115.700 0.003 0.000 3.559 50 S HA 0.005 4.476 4.470 0.000 0.000 0.369 50 S C 1.551 176.139 174.600 -0.020 0.000 0.987 50 S CA 1.038 59.209 58.200 -0.048 0.000 1.187 50 S CB -2.053 61.094 63.200 -0.088 0.000 0.914 50 S HN 1.931 nan 8.310 nan 0.000 0.480 51 G N 0.972 109.821 108.800 0.081 0.000 2.536 51 G HA2 -0.354 3.606 3.960 0.000 0.000 0.277 51 G HA3 -0.354 3.606 3.960 0.000 0.000 0.277 51 G C -0.128 174.812 174.900 0.067 0.000 1.155 51 G CA 0.601 45.774 45.100 0.122 0.000 0.960 51 G HN 0.886 nan 8.290 nan 0.000 0.544 52 Q N 0.496 120.326 119.800 0.049 0.000 3.041 52 Q HA 0.682 5.022 4.340 0.000 0.000 0.372 52 Q C 0.817 176.814 176.000 -0.005 0.000 1.241 52 Q CA 0.556 56.372 55.803 0.023 0.000 1.010 52 Q CB -0.930 27.827 28.738 0.031 0.000 1.467 52 Q HN 0.678 nan 8.270 nan 0.000 0.462 53 M N -0.775 118.818 119.600 -0.012 0.000 2.393 53 M HA -0.323 4.158 4.480 0.000 0.000 0.201 53 M C 0.144 176.425 176.300 -0.031 0.000 0.403 53 M CA 1.053 56.335 55.300 -0.030 0.000 0.471 53 M CB -1.825 30.752 32.600 -0.039 0.000 1.669 53 M HN 0.355 nan 8.290 nan 0.000 0.864 54 S N -1.514 114.166 115.700 -0.034 0.000 2.830 54 S HA 0.423 4.894 4.470 0.000 0.000 0.249 54 S C 1.072 175.631 174.600 -0.067 0.000 1.084 54 S CA 0.113 58.291 58.200 -0.036 0.000 0.852 54 S CB 0.557 63.747 63.200 -0.016 0.000 0.802 54 S HN 0.693 nan 8.310 nan 0.000 0.481 55 A N 2.406 125.159 122.820 -0.112 0.000 3.092 55 A HA 0.277 4.597 4.320 0.000 0.000 0.278 55 A C 1.327 178.825 177.584 -0.143 0.000 1.956 55 A CA 0.024 51.956 52.037 -0.176 0.000 1.501 55 A CB -1.007 17.750 19.000 -0.405 0.000 0.977 55 A HN 0.236 nan 8.150 nan 0.000 0.607 56 V N 1.543 121.397 119.914 -0.100 0.000 2.469 56 V HA -0.202 3.918 4.120 0.000 0.000 0.251 56 V C 1.798 177.844 176.094 -0.079 0.000 1.064 56 V CA 2.120 64.368 62.300 -0.088 0.000 1.066 56 V CB -0.255 31.520 31.823 -0.079 0.000 0.667 56 V HN 0.816 nan 8.190 nan 0.000 0.461 57 L N -0.281 120.895 121.223 -0.077 0.000 2.791 57 L HA 0.481 4.821 4.340 0.000 0.000 0.239 57 L C 0.997 177.905 176.870 0.064 0.000 1.203 57 L CA 0.290 55.116 54.840 -0.023 0.000 1.002 57 L CB -0.624 41.341 42.059 -0.157 0.000 1.295 57 L HN 0.433 nan 8.230 nan 0.000 0.504 58 G N -0.002 108.773 108.800 -0.042 0.000 2.796 58 G HA2 -0.220 3.740 3.960 0.000 0.000 0.226 58 G HA3 -0.220 3.740 3.960 0.000 0.000 0.226 58 G C -0.455 174.381 174.900 -0.107 0.000 1.381 58 G CA -0.758 44.299 45.100 -0.072 0.000 0.867 58 G HN 0.326 nan 8.290 nan 0.000 0.552 59 H N -0.920 118.204 119.070 0.090 0.000 2.582 59 H HA 0.318 4.874 4.556 0.000 0.000 0.345 59 H C 1.371 176.766 175.328 0.112 0.000 1.104 59 H CA 0.656 56.763 56.048 0.097 0.000 1.390 59 H CB 0.638 30.460 29.762 0.101 0.000 1.461 59 H HN 1.268 nan 8.280 nan 0.000 0.551 60 C N 2.284 121.717 119.300 0.222 0.000 4.056 60 C HA -0.197 4.263 4.460 0.000 0.000 0.302 60 C C 0.940 176.017 174.990 0.145 0.000 1.356 60 C CA 0.326 59.443 59.018 0.164 0.000 2.074 60 C CB -3.426 24.401 27.740 0.145 0.000 1.328 60 C HN 0.845 nan 8.230 nan 0.000 0.684 61 H N 2.476 121.584 119.070 0.063 0.000 3.026 61 H HA 0.198 4.754 4.556 0.000 0.000 0.289 61 H C -0.141 175.213 175.328 0.044 0.000 1.022 61 H CA -0.469 55.607 56.048 0.047 0.000 1.477 61 H CB 0.956 30.734 29.762 0.027 0.000 1.510 61 H HN 0.282 nan 8.280 nan 0.000 0.535 62 P HA -0.303 nan 4.420 nan 0.000 0.220 62 P C 0.701 178.087 177.300 0.144 0.000 1.155 62 P CA 1.657 64.767 63.100 0.017 0.000 0.880 62 P CB 0.374 32.025 31.700 -0.082 0.000 0.790 63 E N -1.114 119.300 120.200 0.357 0.000 2.150 63 E HA -0.093 4.257 4.350 0.000 0.000 0.193 63 E C 2.123 178.829 176.600 0.177 0.000 0.985 63 E CA 0.732 57.293 56.400 0.269 0.000 0.814 63 E CB -0.346 29.527 29.700 0.288 0.000 0.752 63 E HN 0.250 nan 8.360 nan 0.000 0.466 64 I N 1.000 121.690 120.570 0.201 0.000 2.286 64 I HA -0.169 4.001 4.170 0.000 0.000 0.245 64 I C 2.526 178.705 176.117 0.104 0.000 1.104 64 I CA 0.689 62.051 61.300 0.103 0.000 1.397 64 I CB -1.106 36.944 38.000 0.084 0.000 1.072 64 I HN -0.081 nan 8.210 nan 0.000 0.417 65 V N 0.865 120.849 119.914 0.117 0.000 2.324 65 V HA -0.298 3.822 4.120 0.000 0.000 0.250 65 V C 2.794 178.938 176.094 0.083 0.000 1.060 65 V CA 2.164 64.518 62.300 0.089 0.000 1.042 65 V CB -1.014 30.856 31.823 0.077 0.000 0.650 65 V HN 0.540 nan 8.190 nan 0.000 0.450 66 S N -0.567 115.187 115.700 0.089 0.000 2.355 66 S HA -0.164 4.306 4.470 0.000 0.000 0.222 66 S C 2.071 176.734 174.600 0.105 0.000 1.031 66 S CA 1.851 60.101 58.200 0.082 0.000 0.993 66 S CB -0.248 62.998 63.200 0.077 0.000 0.859 66 S HN 0.317 nan 8.310 nan 0.000 0.453 67 V N 1.499 121.488 119.914 0.125 0.000 2.515 67 V HA -0.016 4.104 4.120 0.000 0.000 0.250 67 V C 2.198 178.429 176.094 0.227 0.000 1.058 67 V CA 1.805 64.222 62.300 0.195 0.000 1.064 67 V CB -0.557 31.358 31.823 0.154 0.000 0.675 67 V HN 0.648 nan 8.190 nan 0.000 0.461 68 I N 0.281 120.934 120.570 0.139 0.000 2.315 68 I HA -0.111 4.059 4.170 0.000 0.000 0.248 68 I C 2.494 178.684 176.117 0.122 0.000 1.117 68 I CA 1.452 62.825 61.300 0.122 0.000 1.404 68 I CB -0.993 37.056 38.000 0.081 0.000 1.071 68 I HN 0.449 nan 8.210 nan 0.000 0.419 69 G N 0.313 109.171 108.800 0.096 0.000 2.484 69 G HA2 -0.289 3.671 3.960 0.000 0.000 0.215 69 G HA3 -0.289 3.671 3.960 0.000 0.000 0.215 69 G C 1.434 176.369 174.900 0.059 0.000 1.219 69 G CA 0.801 45.941 45.100 0.066 0.000 0.791 69 G HN 0.388 nan 8.290 nan 0.000 0.550 70 E N -0.661 119.570 120.200 0.051 0.000 2.172 70 E HA -0.282 4.069 4.350 0.000 0.000 0.213 70 E C 2.126 178.630 176.600 -0.160 0.000 1.051 70 E CA 1.781 58.152 56.400 -0.048 0.000 0.860 70 E CB -0.242 29.457 29.700 -0.003 0.000 0.755 70 E HN 0.640 nan 8.360 nan 0.000 0.462 71 Y N -1.033 119.282 120.300 0.025 0.000 2.476 71 Y HA 0.199 4.750 4.550 0.002 0.000 0.283 71 Y C 2.103 178.021 175.900 0.031 0.000 1.109 71 Y CA 0.548 58.664 58.100 0.027 0.000 1.246 71 Y CB -0.211 38.266 38.460 0.028 0.000 1.068 71 Y HN 0.126 nan 8.280 nan 0.000 0.552 72 A N 0.137 123.046 122.820 0.149 0.000 1.908 72 A HA -0.157 4.163 4.320 0.000 0.000 0.218 72 A C 2.420 180.043 177.584 0.064 0.000 1.181 72 A CA 1.964 54.060 52.037 0.099 0.000 0.627 72 A CB -1.331 17.713 19.000 0.074 0.000 0.818 72 A HN 0.443 nan 8.150 nan 0.000 0.445 73 G N -1.005 107.815 108.800 0.033 0.000 2.985 73 G HA2 0.117 4.077 3.960 0.000 0.000 0.209 73 G HA3 0.117 4.077 3.960 0.000 0.000 0.209 73 G C 1.294 176.189 174.900 -0.010 0.000 1.165 73 G CA 0.971 46.077 45.100 0.010 0.000 0.776 73 G HN 0.710 nan 8.290 nan 0.000 0.541 74 K N -1.614 118.772 120.400 -0.024 0.000 2.493 74 K HA 0.367 4.687 4.320 0.000 0.000 0.201 74 K C -0.397 176.208 176.600 0.010 0.000 1.355 74 K CA -0.236 56.020 56.287 -0.052 0.000 0.953 74 K CB 0.498 32.895 32.500 -0.172 0.000 1.316 74 K HN 0.065 nan 8.250 nan 0.000 0.522 75 L N 3.100 124.373 121.223 0.084 0.000 2.611 75 L HA 0.281 4.621 4.340 0.000 0.000 0.263 75 L C -1.191 175.796 176.870 0.195 0.000 0.969 75 L CA -0.233 54.697 54.840 0.150 0.000 0.894 75 L CB 1.916 44.106 42.059 0.217 0.000 1.229 75 L HN 0.393 nan 8.230 nan 0.000 0.416 76 D N 1.854 122.344 120.400 0.151 0.000 3.012 76 D HA 0.138 4.779 4.640 0.000 0.000 0.284 76 D C 0.217 176.634 176.300 0.195 0.000 1.259 76 D CA 0.670 54.770 54.000 0.166 0.000 1.036 76 D CB 0.137 41.027 40.800 0.151 0.000 1.167 76 D HN 0.527 nan 8.370 nan 0.000 0.429 77 H N -0.841 118.284 119.070 0.091 0.000 2.806 77 H HA 0.687 5.243 4.556 0.000 0.000 0.367 77 H C -1.512 173.865 175.328 0.082 0.000 1.136 77 H CA -0.817 55.288 56.048 0.094 0.000 1.178 77 H CB 1.462 31.293 29.762 0.114 0.000 1.718 77 H HN 0.059 nan 8.280 nan 0.000 0.540 78 L N 3.050 123.867 121.223 -0.677 0.000 2.359 78 L HA 0.347 4.687 4.340 0.000 0.000 0.256 78 L C -0.615 176.006 176.870 -0.415 0.000 1.026 78 L CA -1.370 53.230 54.840 -0.401 0.000 0.828 78 L CB 1.584 43.566 42.059 -0.127 0.000 1.406 78 L HN 0.545 nan 8.230 nan 0.000 0.413 79 F N 0.531 120.338 119.950 -0.237 0.000 2.607 79 F HA -0.032 4.495 4.527 0.000 0.000 0.374 79 F C 1.389 177.117 175.800 -0.120 0.000 1.104 79 F CA 0.289 58.221 58.000 -0.113 0.000 1.296 79 F CB 0.894 39.881 39.000 -0.023 0.000 1.085 79 F HN 0.459 nan 8.300 nan 0.000 0.584 80 S N 3.569 118.834 115.700 -0.726 0.000 2.537 80 S HA -0.064 4.406 4.470 0.000 0.000 0.240 80 S C 1.886 176.187 174.600 -0.499 0.000 0.981 80 S CA 0.940 58.740 58.200 -0.667 0.000 0.948 80 S CB -0.452 62.160 63.200 -0.980 0.000 0.759 80 S HN 0.924 nan 8.310 nan 0.000 0.531 81 G N 0.188 108.637 108.800 -0.585 0.000 3.088 81 G HA2 0.287 4.247 3.960 0.000 0.000 0.217 81 G HA3 0.287 4.247 3.960 0.000 0.000 0.217 81 G C 0.220 175.157 174.900 0.061 0.000 1.159 81 G CA -0.328 44.699 45.100 -0.121 0.000 0.760 81 G HN 0.370 nan 8.290 nan 0.000 0.550 82 M N 1.603 121.239 119.600 0.060 0.000 2.113 82 M HA 0.417 4.897 4.480 0.000 0.000 0.352 82 M C -0.556 175.756 176.300 0.020 0.000 1.170 82 M CA -0.200 55.152 55.300 0.086 0.000 1.053 82 M CB 1.987 34.667 32.600 0.133 0.000 1.601 82 M HN -0.127 nan 8.290 nan 0.000 0.459 83 L N 2.128 123.366 121.223 0.025 0.000 2.399 83 L HA 0.646 4.986 4.340 0.000 0.000 0.265 83 L C 0.369 177.252 176.870 0.021 0.000 1.089 83 L CA -0.331 54.516 54.840 0.012 0.000 0.802 83 L CB 1.622 43.688 42.059 0.012 0.000 1.180 83 L HN 0.807 nan 8.230 nan 0.000 0.454 84 S N 0.007 115.718 115.700 0.018 0.000 2.638 84 S HA 0.467 4.937 4.470 0.000 0.000 0.274 84 S C 0.311 174.930 174.600 0.031 0.000 1.157 84 S CA -1.002 57.218 58.200 0.034 0.000 0.826 84 S CB 1.934 65.160 63.200 0.044 0.000 1.139 84 S HN 0.564 nan 8.310 nan 0.000 0.474 85 R N 0.598 121.128 120.500 0.050 0.000 2.083 85 R HA 0.025 4.365 4.340 0.000 0.000 0.237 85 R C -1.004 175.311 176.300 0.024 0.000 1.137 85 R CA 2.066 58.194 56.100 0.046 0.000 0.951 85 R CB -1.618 28.723 30.300 0.068 0.000 0.851 85 R HN 0.534 nan 8.270 nan 0.000 0.434 86 P HA -0.134 nan 4.420 nan 0.000 0.215 86 P C 1.314 178.583 177.300 -0.052 0.000 1.153 86 P CA 1.102 64.163 63.100 -0.065 0.000 0.853 86 P CB 0.020 31.600 31.700 -0.201 0.000 0.788 87 V N -0.371 119.522 119.914 -0.035 0.000 2.261 87 V HA -0.199 3.921 4.120 0.000 0.000 0.246 87 V C 2.518 178.601 176.094 -0.018 0.000 1.047 87 V CA 1.839 64.122 62.300 -0.028 0.000 1.015 87 V CB -1.256 30.553 31.823 -0.023 0.000 0.642 87 V HN -0.044 nan 8.190 nan 0.000 0.446 88 V N 0.172 120.080 119.914 -0.009 0.000 2.427 88 V HA -0.228 3.892 4.120 0.000 0.000 0.248 88 V C 2.260 178.352 176.094 -0.004 0.000 1.051 88 V CA 2.054 64.351 62.300 -0.004 0.000 1.048 88 V CB -0.713 31.111 31.823 0.002 0.000 0.666 88 V HN 0.557 nan 8.190 nan 0.000 0.456 89 D N -0.071 120.327 120.400 -0.003 0.000 2.097 89 D HA -0.137 4.503 4.640 0.000 0.000 0.195 89 D C 1.961 178.257 176.300 -0.007 0.000 0.989 89 D CA 1.098 55.097 54.000 -0.002 0.000 0.827 89 D CB -0.286 40.515 40.800 0.002 0.000 0.966 89 D HN 0.343 nan 8.370 nan 0.000 0.456 90 L N 0.954 122.166 121.223 -0.017 0.000 2.046 90 L HA -0.035 4.305 4.340 0.000 0.000 0.208 90 L C 2.102 178.967 176.870 -0.007 0.000 1.077 90 L CA 1.690 56.520 54.840 -0.016 0.000 0.747 90 L CB -0.853 41.188 42.059 -0.029 0.000 0.896 90 L HN -0.031 nan 8.230 nan 0.000 0.432 91 A N -1.486 121.327 122.820 -0.011 0.000 1.877 91 A HA -0.212 4.108 4.320 0.000 0.000 0.216 91 A C 2.263 179.843 177.584 -0.006 0.000 1.186 91 A CA 2.381 54.411 52.037 -0.011 0.000 0.620 91 A CB -1.259 17.732 19.000 -0.014 0.000 0.822 91 A HN 0.509 nan 8.150 nan 0.000 0.443 92 T N -0.586 113.966 114.554 -0.003 0.000 2.708 92 T HA -0.163 4.188 4.350 0.000 0.000 0.266 92 T C 2.101 176.805 174.700 0.008 0.000 1.037 92 T CA 1.791 63.891 62.100 0.001 0.000 1.146 92 T CB -0.253 68.617 68.868 0.002 0.000 0.865 92 T HN 0.547 nan 8.240 nan 0.000 0.435 93 R N 1.238 121.745 120.500 0.011 0.000 2.083 93 R HA 0.019 4.360 4.340 0.000 0.000 0.237 93 R C 2.262 178.584 176.300 0.037 0.000 1.137 93 R CA 1.483 57.596 56.100 0.021 0.000 0.951 93 R CB -1.062 29.248 30.300 0.017 0.000 0.851 93 R HN 0.391 nan 8.270 nan 0.000 0.434 94 L N -0.083 121.159 121.223 0.033 0.000 2.079 94 L HA -0.159 4.181 4.340 0.000 0.000 0.210 94 L C 2.513 179.397 176.870 0.023 0.000 1.081 94 L CA 1.432 56.298 54.840 0.044 0.000 0.752 94 L CB -0.639 41.430 42.059 0.016 0.000 0.896 94 L HN 0.406 nan 8.230 nan 0.000 0.433 95 A N -0.029 122.795 122.820 0.006 0.000 1.930 95 A HA -0.179 4.141 4.320 0.000 0.000 0.217 95 A C 2.011 179.603 177.584 0.013 0.000 1.175 95 A CA 1.654 53.688 52.037 -0.005 0.000 0.627 95 A CB -0.450 18.544 19.000 -0.010 0.000 0.815 95 A HN 0.423 nan 8.150 nan 0.000 0.443 96 N N 0.240 118.955 118.700 0.025 0.000 2.331 96 N HA -0.074 4.667 4.740 0.000 0.000 0.180 96 N C 1.571 177.114 175.510 0.055 0.000 1.019 96 N CA 1.606 54.676 53.050 0.032 0.000 0.881 96 N CB -0.282 38.221 38.487 0.026 0.000 0.972 96 N HN 0.807 nan 8.380 nan 0.000 0.435 97 I N -1.540 119.085 120.570 0.092 0.000 3.968 97 I HA 0.153 4.323 4.170 0.000 0.000 0.328 97 I C 0.118 176.393 176.117 0.262 0.000 1.290 97 I CA 0.009 61.398 61.300 0.148 0.000 1.163 97 I CB -0.147 37.940 38.000 0.145 0.000 1.024 97 I HN -0.162 nan 8.210 nan 0.000 0.413 98 T N 0.059 114.717 114.554 0.174 0.000 2.902 98 T HA 0.545 4.895 4.350 0.000 0.000 0.280 98 T C -2.444 172.284 174.700 0.046 0.000 0.992 98 T CA -1.629 60.519 62.100 0.079 0.000 1.015 98 T CB 0.979 69.747 68.868 -0.167 0.000 1.044 98 T HN -0.068 nan 8.240 nan 0.000 0.520 99 P HA 0.251 nan 4.420 nan 0.000 0.271 99 P C -2.540 174.757 177.300 -0.005 0.000 1.238 99 P CA -1.172 61.940 63.100 0.020 0.000 0.794 99 P CB -0.889 30.819 31.700 0.014 0.000 0.959 100 P HA 0.159 nan 4.420 nan 0.000 0.271 100 P C 0.829 178.117 177.300 -0.019 0.000 1.216 100 P CA 1.064 64.159 63.100 -0.008 0.000 0.771 100 P CB 0.139 31.837 31.700 -0.003 0.000 0.864 101 G N 2.039 110.823 108.800 -0.025 0.000 2.231 101 G HA2 -0.162 3.798 3.960 0.000 0.000 0.206 101 G HA3 -0.162 3.798 3.960 0.000 0.000 0.206 101 G C -0.310 174.562 174.900 -0.046 0.000 0.996 101 G CA -0.521 44.559 45.100 -0.033 0.000 0.645 101 G HN 0.450 nan 8.290 nan 0.000 0.498 102 L N 1.680 122.871 121.223 -0.053 0.000 2.318 102 L HA 0.530 4.870 4.340 0.000 0.000 0.277 102 L C -0.023 176.813 176.870 -0.057 0.000 1.008 102 L CA -0.774 54.023 54.840 -0.072 0.000 0.846 102 L CB 1.393 43.387 42.059 -0.108 0.000 1.220 102 L HN 0.036 nan 8.230 nan 0.000 0.423 103 D N 1.610 121.979 120.400 -0.052 0.000 2.482 103 D HA 0.151 4.791 4.640 0.000 0.000 0.251 103 D C 0.487 176.763 176.300 -0.040 0.000 1.073 103 D CA 0.302 54.278 54.000 -0.040 0.000 0.892 103 D CB 1.013 41.793 40.800 -0.034 0.000 1.202 103 D HN 0.357 nan 8.370 nan 0.000 0.496 104 R N 0.565 121.035 120.500 -0.049 0.000 2.599 104 R HA 0.724 5.064 4.340 0.000 0.000 0.295 104 R C -0.854 175.414 176.300 -0.054 0.000 0.963 104 R CA -0.427 55.645 56.100 -0.047 0.000 0.883 104 R CB 2.553 32.825 30.300 -0.047 0.000 1.171 104 R HN -0.047 nan 8.270 nan 0.000 0.450 105 A N 2.623 125.418 122.820 -0.042 0.000 2.356 105 A HA 0.704 5.025 4.320 0.000 0.000 0.323 105 A C -1.537 176.030 177.584 -0.028 0.000 1.119 105 A CA -0.639 51.373 52.037 -0.042 0.000 0.790 105 A CB 1.321 20.299 19.000 -0.036 0.000 1.273 105 A HN 0.538 nan 8.150 nan 0.000 0.452 106 L N 1.928 123.134 121.223 -0.029 0.000 2.349 106 L HA 0.617 4.957 4.340 0.000 0.000 0.278 106 L C -1.423 175.437 176.870 -0.017 0.000 0.996 106 L CA -0.188 54.647 54.840 -0.009 0.000 0.825 106 L CB 1.221 43.282 42.059 0.003 0.000 1.243 106 L HN 0.582 nan 8.230 nan 0.000 0.412 107 L N 6.722 127.941 121.223 -0.005 0.000 2.262 107 L HA 0.481 4.822 4.340 0.000 0.000 0.288 107 L C -0.255 176.624 176.870 0.016 0.000 1.035 107 L CA -0.203 54.635 54.840 -0.003 0.000 0.820 107 L CB 0.898 42.953 42.059 -0.008 0.000 1.204 107 L HN 0.665 nan 8.230 nan 0.000 0.424 108 L N 0.929 122.164 121.223 0.021 0.000 2.670 108 L HA 0.544 4.885 4.340 0.000 0.000 0.251 108 L C 0.945 177.848 176.870 0.056 0.000 1.548 108 L CA -0.323 54.551 54.840 0.057 0.000 1.643 108 L CB 1.241 43.333 42.059 0.056 0.000 2.174 108 L HN 0.462 nan 8.230 nan 0.000 0.585 109 S N -1.975 113.769 115.700 0.074 0.000 2.731 109 S HA 0.108 4.578 4.470 0.000 0.000 0.244 109 S C 0.278 174.903 174.600 0.041 0.000 1.084 109 S CA 0.300 58.529 58.200 0.049 0.000 0.877 109 S CB 0.728 63.959 63.200 0.052 0.000 0.798 109 S HN 0.798 nan 8.310 nan 0.000 0.496 110 T N -1.336 113.254 114.554 0.060 0.000 2.907 110 T HA 0.654 5.004 4.350 0.000 0.000 0.290 110 T C 1.286 176.025 174.700 0.065 0.000 1.066 110 T CA -0.060 62.075 62.100 0.059 0.000 1.012 110 T CB 1.402 70.309 68.868 0.066 0.000 1.184 110 T HN 0.040 nan 8.240 nan 0.000 0.522 111 G N 0.432 109.279 108.800 0.078 0.000 2.446 111 G HA2 -0.007 3.953 3.960 0.000 0.000 0.217 111 G HA3 -0.007 3.953 3.960 0.000 0.000 0.217 111 G C 1.737 176.693 174.900 0.092 0.000 1.168 111 G CA 0.966 46.122 45.100 0.092 0.000 0.771 111 G HN 1.182 nan 8.290 nan 0.000 0.551 112 A N 0.589 123.470 122.820 0.102 0.000 1.908 112 A HA -0.091 4.229 4.320 0.000 0.000 0.218 112 A C 2.162 179.790 177.584 0.072 0.000 1.181 112 A CA 2.140 54.227 52.037 0.082 0.000 0.627 112 A CB -0.524 18.519 19.000 0.072 0.000 0.818 112 A HN 0.494 nan 8.150 nan 0.000 0.445 113 E N 0.125 120.380 120.200 0.091 0.000 2.051 113 E HA -0.195 4.155 4.350 0.000 0.000 0.192 113 E C 2.308 178.896 176.600 -0.020 0.000 0.991 113 E CA 1.627 58.105 56.400 0.130 0.000 0.799 113 E CB -0.137 29.666 29.700 0.170 0.000 0.748 113 E HN 0.767 nan 8.360 nan 0.000 0.449 114 S N 0.708 116.390 115.700 -0.031 0.000 2.356 114 S HA -0.178 4.292 4.470 0.000 0.000 0.223 114 S C 1.760 176.297 174.600 -0.105 0.000 1.032 114 S CA 1.348 59.492 58.200 -0.095 0.000 1.005 114 S CB -0.444 62.735 63.200 -0.034 0.000 0.867 114 S HN 0.240 nan 8.310 nan 0.000 0.449 115 N N 1.739 120.415 118.700 -0.039 0.000 2.166 115 N HA -0.038 4.702 4.740 0.000 0.000 0.186 115 N C 1.817 177.291 175.510 -0.060 0.000 1.019 115 N CA 1.407 54.428 53.050 -0.049 0.000 0.856 115 N CB -0.459 38.017 38.487 -0.018 0.000 0.993 115 N HN 0.595 nan 8.380 nan 0.000 0.426 116 E N 1.091 121.277 120.200 -0.024 0.000 2.077 116 E HA -0.088 4.262 4.350 0.000 0.000 0.193 116 E C 1.902 178.489 176.600 -0.022 0.000 0.989 116 E CA 0.881 57.310 56.400 0.049 0.000 0.800 116 E CB -0.186 29.642 29.700 0.213 0.000 0.746 116 E HN 0.323 nan 8.360 nan 0.000 0.452 117 A N 1.557 124.139 122.820 -0.396 0.000 1.933 117 A HA -0.078 4.242 4.320 0.000 0.000 0.218 117 A C 2.406 179.895 177.584 -0.159 0.000 1.175 117 A CA 1.892 53.516 52.037 -0.687 0.000 0.628 117 A CB -0.450 17.862 19.000 -1.146 0.000 0.814 117 A HN 0.272 nan 8.150 nan 0.000 0.444 118 A N -0.260 122.473 122.820 -0.145 0.000 1.897 118 A HA 0.010 4.330 4.320 0.000 0.000 0.215 118 A C 2.097 179.656 177.584 -0.041 0.000 1.181 118 A CA 1.382 53.362 52.037 -0.094 0.000 0.620 118 A CB -0.520 18.422 19.000 -0.097 0.000 0.821 118 A HN 0.461 nan 8.150 nan 0.000 0.443 119 I N -0.984 119.572 120.570 -0.024 0.000 2.315 119 I HA -0.206 3.964 4.170 0.000 0.000 0.248 119 I C 2.690 178.845 176.117 0.064 0.000 1.117 119 I CA 1.307 62.609 61.300 0.003 0.000 1.404 119 I CB -0.225 37.771 38.000 -0.008 0.000 1.071 119 I HN 0.349 nan 8.210 nan 0.000 0.419 120 R N 0.911 121.486 120.500 0.126 0.000 2.075 120 R HA -0.200 4.140 4.340 0.000 0.000 0.232 120 R C 2.382 178.835 176.300 0.255 0.000 1.126 120 R CA 1.593 57.823 56.100 0.217 0.000 0.963 120 R CB -0.214 30.279 30.300 0.321 0.000 0.858 120 R HN 0.291 nan 8.270 nan 0.000 0.435 121 M N 0.117 119.847 119.600 0.215 0.000 2.117 121 M HA -0.135 4.346 4.480 0.000 0.000 0.262 121 M C 2.143 178.433 176.300 -0.017 0.000 1.065 121 M CA 2.003 57.291 55.300 -0.022 0.000 1.114 121 M CB -0.122 32.262 32.600 -0.361 0.000 1.361 121 M HN 0.270 nan 8.290 nan 0.000 0.408 122 A N 0.728 123.544 122.820 -0.006 0.000 1.883 122 A HA -0.225 4.095 4.320 0.000 0.000 0.217 122 A C 2.065 179.666 177.584 0.029 0.000 1.186 122 A CA 2.151 54.187 52.037 -0.002 0.000 0.624 122 A CB -0.683 18.316 19.000 -0.002 0.000 0.822 122 A HN 0.590 nan 8.150 nan 0.000 0.444 123 K N -1.027 119.409 120.400 0.060 0.000 2.057 123 K HA -0.126 4.194 4.320 0.000 0.000 0.207 123 K C 1.971 178.621 176.600 0.084 0.000 1.049 123 K CA 1.424 57.761 56.287 0.083 0.000 0.931 123 K CB -0.396 32.169 32.500 0.109 0.000 0.714 123 K HN 0.397 nan 8.250 nan 0.000 0.440 124 L N 0.798 122.082 121.223 0.100 0.000 1.994 124 L HA -0.140 4.201 4.340 0.000 0.000 0.208 124 L C 2.118 179.025 176.870 0.061 0.000 1.071 124 L CA 1.441 56.342 54.840 0.102 0.000 0.745 124 L CB -0.540 41.622 42.059 0.172 0.000 0.892 124 L HN -0.045 nan 8.230 nan 0.000 0.431 125 V N -0.636 119.298 119.914 0.034 0.000 2.759 125 V HA -0.203 3.918 4.120 0.000 0.000 0.256 125 V C 2.358 178.459 176.094 0.012 0.000 1.080 125 V CA 2.056 64.363 62.300 0.010 0.000 1.101 125 V CB -0.551 31.259 31.823 -0.021 0.000 0.698 125 V HN 0.865 nan 8.190 nan 0.000 0.477 126 T N -3.960 110.606 114.554 0.020 0.000 3.037 126 T HA 0.268 4.618 4.350 0.000 0.000 0.251 126 T C 1.611 176.327 174.700 0.027 0.000 1.079 126 T CA 0.866 62.976 62.100 0.016 0.000 1.067 126 T CB 0.513 69.388 68.868 0.011 0.000 0.948 126 T HN 1.141 nan 8.240 nan 0.000 0.496 127 G N 1.555 110.381 108.800 0.044 0.000 2.155 127 G HA2 -0.249 3.711 3.960 0.000 0.000 0.257 127 G HA3 -0.249 3.711 3.960 0.000 0.000 0.257 127 G C -0.022 174.923 174.900 0.076 0.000 0.983 127 G CA 0.611 45.745 45.100 0.057 0.000 0.676 127 G HN 0.693 nan 8.290 nan 0.000 0.528 128 K N -1.712 118.727 120.400 0.065 0.000 2.316 128 K HA 0.703 5.024 4.320 0.000 0.000 0.234 128 K C 0.543 177.209 176.600 0.111 0.000 1.054 128 K CA -0.489 55.824 56.287 0.044 0.000 0.879 128 K CB 1.065 33.535 32.500 -0.050 0.000 1.252 128 K HN 0.371 nan 8.250 nan 0.000 0.471 129 Y N -1.880 118.442 120.300 0.036 0.000 2.515 129 Y HA 0.369 4.919 4.550 0.000 0.000 0.267 129 Y C -0.399 175.519 175.900 0.029 0.000 1.058 129 Y CA -0.673 57.443 58.100 0.027 0.000 1.231 129 Y CB 0.235 38.705 38.460 0.016 0.000 1.350 129 Y HN 0.369 nan 8.280 nan 0.000 0.554 130 E N 2.876 122.926 120.200 -0.249 0.000 2.316 130 E HA 0.332 4.682 4.350 0.000 0.000 0.275 130 E C -0.714 175.907 176.600 0.035 0.000 1.029 130 E CA -0.280 56.092 56.400 -0.047 0.000 0.871 130 E CB 1.335 31.033 29.700 -0.002 0.000 1.022 130 E HN 0.150 nan 8.360 nan 0.000 0.418 131 I N 3.310 123.912 120.570 0.053 0.000 2.436 131 I HA 0.271 4.442 4.170 0.000 0.000 0.289 131 I C -0.331 175.768 176.117 -0.029 0.000 1.010 131 I CA -0.854 60.444 61.300 -0.003 0.000 1.098 131 I CB 1.437 39.419 38.000 -0.030 0.000 1.266 131 I HN 0.242 nan 8.210 nan 0.000 0.434 132 V N 4.939 124.743 119.914 -0.184 0.000 2.513 132 V HA 0.921 5.042 4.120 0.000 0.000 0.299 132 V C 0.508 176.036 176.094 -0.943 0.000 1.035 132 V CA -0.382 61.666 62.300 -0.420 0.000 0.889 132 V CB 1.638 33.207 31.823 -0.423 0.000 0.988 132 V HN 0.966 nan 8.190 nan 0.000 0.440 133 G N 1.926 110.292 108.800 -0.723 0.000 2.949 133 G HA2 0.722 4.682 3.960 0.000 0.000 0.285 133 G HA3 0.722 4.682 3.960 0.000 0.000 0.285 133 G C -1.475 173.163 174.900 -0.435 0.000 1.395 133 G CA -0.761 43.964 45.100 -0.624 0.000 0.901 133 G HN 0.411 nan 8.290 nan 0.000 0.519 134 F N 0.489 120.470 119.950 0.052 0.000 2.385 134 F HA 0.444 4.972 4.527 0.000 0.000 0.336 134 F C 1.611 177.421 175.800 0.017 0.000 1.100 134 F CA -0.422 57.633 58.000 0.093 0.000 1.116 134 F CB 2.199 41.304 39.000 0.175 0.000 1.166 134 F HN 0.522 nan 8.300 nan 0.000 0.511 135 A N 2.156 125.072 122.820 0.160 0.000 2.225 135 A HA -0.147 4.173 4.320 0.000 0.000 0.215 135 A C 1.236 178.927 177.584 0.179 0.000 1.164 135 A CA 1.200 53.270 52.037 0.054 0.000 0.710 135 A CB -0.460 18.555 19.000 0.025 0.000 0.780 135 A HN 0.821 nan 8.150 nan 0.000 0.473 136 Q N -0.265 119.649 119.800 0.189 0.000 2.135 136 Q HA 0.178 4.518 4.340 0.000 0.000 0.222 136 Q C 0.554 176.645 176.000 0.152 0.000 0.808 136 Q CA 0.416 56.294 55.803 0.124 0.000 1.049 136 Q CB 0.569 29.302 28.738 -0.008 0.000 1.168 136 Q HN 0.590 nan 8.270 nan 0.000 0.483 137 S N -0.374 115.469 115.700 0.238 0.000 2.617 137 S HA 0.380 4.850 4.470 0.000 0.000 0.259 137 S C -0.480 174.166 174.600 0.076 0.000 1.301 137 S CA -0.539 57.749 58.200 0.147 0.000 0.984 137 S CB 0.924 64.247 63.200 0.206 0.000 0.954 137 S HN 0.459 nan 8.310 nan 0.000 0.572 138 W N 1.571 122.653 121.300 -0.364 0.000 2.957 138 W HA 0.327 4.987 4.660 0.000 0.000 0.327 138 W C -1.172 175.078 176.519 -0.449 0.000 1.039 138 W CA -0.403 56.771 57.345 -0.285 0.000 1.257 138 W CB 0.669 30.049 29.460 -0.133 0.000 1.238 138 W HN 0.980 nan 8.180 nan 0.000 0.406 139 H N 2.861 121.820 119.070 -0.186 0.000 2.986 139 H HA 0.377 4.933 4.556 0.000 0.000 0.267 139 H C 1.085 176.339 175.328 -0.124 0.000 1.072 139 H CA 0.862 56.878 56.048 -0.053 0.000 1.202 139 H CB 1.898 31.632 29.762 -0.047 0.000 1.535 139 H HN 0.506 nan 8.280 nan 0.000 0.522 140 G N 0.301 108.878 108.800 -0.371 0.000 2.359 140 G HA2 -0.043 3.918 3.960 0.000 0.000 0.314 140 G HA3 -0.043 3.918 3.960 0.000 0.000 0.314 140 G C 0.114 174.825 174.900 -0.316 0.000 1.364 140 G CA -0.489 44.514 45.100 -0.161 0.000 0.978 140 G HN -0.051 nan 8.290 nan 0.000 0.615 141 M N 0.622 120.158 119.600 -0.107 0.000 2.465 141 M HA 0.161 4.642 4.480 0.000 0.000 0.249 141 M C 1.591 177.845 176.300 -0.076 0.000 1.130 141 M CA 1.108 56.344 55.300 -0.106 0.000 1.067 141 M CB -0.268 32.340 32.600 0.013 0.000 1.394 141 M HN 0.846 nan 8.290 nan 0.000 0.483 142 T N -1.721 112.806 114.554 -0.046 0.000 2.913 142 T HA 0.539 4.889 4.350 0.000 0.000 0.287 142 T C 1.480 176.149 174.700 -0.051 0.000 1.008 142 T CA -0.067 62.018 62.100 -0.026 0.000 1.067 142 T CB 1.783 70.660 68.868 0.015 0.000 0.996 142 T HN 0.349 nan 8.240 nan 0.000 0.513 143 G N 1.854 110.628 108.800 -0.042 0.000 3.331 143 G HA2 -0.339 3.621 3.960 0.000 0.000 0.259 143 G HA3 -0.339 3.621 3.960 0.000 0.000 0.259 143 G C 1.716 176.576 174.900 -0.066 0.000 1.004 143 G CA 1.996 47.066 45.100 -0.051 0.000 0.753 143 G HN 1.418 nan 8.290 nan 0.000 1.125 144 A N 0.374 123.171 122.820 -0.038 0.000 1.908 144 A HA 0.201 4.521 4.320 0.000 0.000 0.218 144 A C 2.923 180.464 177.584 -0.071 0.000 1.181 144 A CA 2.963 54.974 52.037 -0.042 0.000 0.627 144 A CB -0.974 18.025 19.000 -0.003 0.000 0.818 144 A HN 1.471 nan 8.150 nan 0.000 0.445 145 A N -0.269 122.515 122.820 -0.060 0.000 1.902 145 A HA 0.151 4.471 4.320 0.000 0.000 0.217 145 A C 2.485 179.978 177.584 -0.151 0.000 1.181 145 A CA 2.145 54.139 52.037 -0.072 0.000 0.623 145 A CB -0.957 18.020 19.000 -0.038 0.000 0.818 145 A HN 1.092 nan 8.150 nan 0.000 0.443 146 A N -0.937 121.768 122.820 -0.192 0.000 1.968 146 A HA 0.015 4.336 4.320 0.000 0.000 0.217 146 A C 2.360 179.758 177.584 -0.310 0.000 1.169 146 A CA 1.750 53.616 52.037 -0.285 0.000 0.638 146 A CB -0.677 18.182 19.000 -0.235 0.000 0.812 146 A HN 0.420 nan 8.150 nan 0.000 0.446 147 S N -0.351 115.205 115.700 -0.240 0.000 2.419 147 S HA 0.027 4.498 4.470 0.000 0.000 0.233 147 S C 1.840 176.217 174.600 -0.373 0.000 1.016 147 S CA 1.008 59.048 58.200 -0.267 0.000 0.974 147 S CB -0.191 62.914 63.200 -0.159 0.000 0.786 147 S HN 0.757 nan 8.310 nan 0.000 0.492 148 A N 0.619 123.285 122.820 -0.257 0.000 2.345 148 A HA 0.284 4.604 4.320 0.000 0.000 0.225 148 A C 0.624 178.155 177.584 -0.088 0.000 1.243 148 A CA -0.008 51.960 52.037 -0.114 0.000 0.875 148 A CB 0.098 19.076 19.000 -0.038 0.000 0.929 148 A HN 0.268 nan 8.150 nan 0.000 0.502 149 T N -0.069 114.249 114.554 -0.394 0.000 2.753 149 T HA 0.426 4.776 4.350 0.000 0.000 0.297 149 T C -0.186 174.240 174.700 -0.457 0.000 0.981 149 T CA 0.056 61.953 62.100 -0.338 0.000 0.956 149 T CB 0.225 68.781 68.868 -0.520 0.000 0.936 149 T HN 0.349 nan 8.240 nan 0.000 0.463 150 Y N 0.735 121.023 120.300 -0.019 0.000 2.445 150 Y HA 0.118 4.668 4.550 0.000 0.000 0.247 150 Y C 2.512 178.437 175.900 0.042 0.000 1.129 150 Y CA -0.359 57.748 58.100 0.011 0.000 1.251 150 Y CB 0.305 38.788 38.460 0.039 0.000 1.176 150 Y HN 0.665 nan 8.280 nan 0.000 0.522 151 S N -0.138 115.673 115.700 0.185 0.000 2.453 151 S HA 0.440 4.910 4.470 0.000 0.000 0.231 151 S C 0.855 175.558 174.600 0.171 0.000 1.005 151 S CA 0.469 58.780 58.200 0.184 0.000 0.949 151 S CB 0.003 63.331 63.200 0.215 0.000 0.774 151 S HN 0.247 nan 8.310 nan 0.000 0.510 152 A N -1.439 121.464 122.820 0.138 0.000 2.483 152 A HA 0.620 4.940 4.320 0.000 0.000 0.294 152 A C 0.691 178.278 177.584 0.006 0.000 1.077 152 A CA -0.183 51.926 52.037 0.119 0.000 0.633 152 A CB -0.439 18.706 19.000 0.242 0.000 1.318 152 A HN 1.477 nan 8.150 nan 0.000 0.455 153 G N -0.669 108.142 108.800 0.017 0.000 2.155 153 G HA2 -0.272 3.688 3.960 0.000 0.000 0.257 153 G HA3 -0.272 3.688 3.960 0.000 0.000 0.257 153 G C 0.700 175.552 174.900 -0.080 0.000 0.983 153 G CA 1.054 46.130 45.100 -0.041 0.000 0.676 153 G HN 0.943 nan 8.290 nan 0.000 0.528 154 R N -0.627 119.832 120.500 -0.068 0.000 2.276 154 R HA 0.145 4.485 4.340 0.000 0.000 0.196 154 R C 0.665 176.940 176.300 -0.043 0.000 0.961 154 R CA 0.591 56.643 56.100 -0.080 0.000 1.024 154 R CB 0.091 30.347 30.300 -0.073 0.000 0.940 154 R HN 0.239 nan 8.270 nan 0.000 0.480 155 K N -0.334 120.053 120.400 -0.021 0.000 2.098 155 K HA 0.338 4.658 4.320 0.000 0.000 0.261 155 K C 0.702 177.295 176.600 -0.012 0.000 0.987 155 K CA 0.314 56.595 56.287 -0.010 0.000 0.916 155 K CB 1.292 33.794 32.500 0.003 0.000 1.039 155 K HN 0.124 nan 8.250 nan 0.000 0.455 156 G N 0.088 108.882 108.800 -0.010 0.000 2.175 156 G HA2 -0.256 3.704 3.960 0.000 0.000 0.265 156 G HA3 -0.256 3.704 3.960 0.000 0.000 0.265 156 G C 0.322 175.214 174.900 -0.013 0.000 0.979 156 G CA 0.672 45.767 45.100 -0.008 0.000 0.663 156 G HN 0.754 nan 8.290 nan 0.000 0.533 157 V N -3.042 116.859 119.914 -0.021 0.000 2.988 157 V HA 0.719 4.839 4.120 0.000 0.000 0.356 157 V C 1.061 177.136 176.094 -0.031 0.000 1.380 157 V CA 0.444 62.729 62.300 -0.025 0.000 1.184 157 V CB -0.072 31.734 31.823 -0.029 0.000 1.204 157 V HN 2.258 nan 8.190 nan 0.000 0.530 158 G N 1.246 110.029 108.800 -0.028 0.000 2.756 158 G HA2 -0.053 3.907 3.960 0.000 0.000 0.678 158 G HA3 -0.053 3.907 3.960 0.000 0.000 0.678 158 G C -2.237 172.640 174.900 -0.039 0.000 1.349 158 G CA -0.412 44.669 45.100 -0.031 0.000 0.847 158 G HN 0.611 nan 8.290 nan 0.000 0.548 159 P HA 0.527 nan 4.420 nan 0.000 0.269 159 P C 0.526 177.789 177.300 -0.062 0.000 1.217 159 P CA 0.499 63.571 63.100 -0.046 0.000 0.783 159 P CB 0.423 32.096 31.700 -0.044 0.000 0.898 160 A N 1.378 124.154 122.820 -0.073 0.000 2.240 160 A HA 0.639 4.960 4.320 0.000 0.000 0.292 160 A C 0.185 177.716 177.584 -0.088 0.000 1.121 160 A CA -0.186 51.794 52.037 -0.095 0.000 0.851 160 A CB -0.304 18.625 19.000 -0.119 0.000 1.167 160 A HN 0.641 nan 8.150 nan 0.000 0.503 161 A N -0.535 122.230 122.820 -0.092 0.000 2.531 161 A HA 0.443 4.764 4.320 0.000 0.000 0.236 161 A C 0.321 177.859 177.584 -0.077 0.000 1.062 161 A CA -0.160 51.831 52.037 -0.075 0.000 0.760 161 A CB -0.427 18.537 19.000 -0.060 0.000 0.995 161 A HN 1.066 nan 8.150 nan 0.000 0.501 162 V N 1.990 121.862 119.914 -0.072 0.000 2.599 162 V HA 0.406 4.526 4.120 0.000 0.000 0.300 162 V C 1.499 177.611 176.094 0.030 0.000 1.034 162 V CA 1.682 63.946 62.300 -0.061 0.000 1.115 162 V CB 0.319 32.067 31.823 -0.125 0.000 0.934 162 V HN 2.018 nan 8.190 nan 0.000 0.485 163 G N 3.759 112.541 108.800 -0.030 0.000 2.142 163 G HA2 -0.205 3.755 3.960 0.000 0.000 0.225 163 G HA3 -0.205 3.755 3.960 0.000 0.000 0.225 163 G C 0.143 174.851 174.900 -0.321 0.000 1.015 163 G CA 0.057 45.114 45.100 -0.071 0.000 0.716 163 G HN 0.744 nan 8.290 nan 0.000 0.508 164 S N -0.253 115.189 115.700 -0.430 0.000 2.475 164 S HA 0.807 5.277 4.470 0.000 0.000 0.281 164 S C -0.347 173.935 174.600 -0.530 0.000 1.198 164 S CA -0.158 57.870 58.200 -0.288 0.000 1.063 164 S CB 0.771 63.906 63.200 -0.108 0.000 0.972 164 S HN 0.355 nan 8.310 nan 0.000 0.486 165 F N 0.955 120.921 119.950 0.026 0.000 2.599 165 F HA 0.740 5.267 4.527 0.000 0.000 0.311 165 F C 0.168 175.789 175.800 -0.298 0.000 1.076 165 F CA -0.941 56.994 58.000 -0.109 0.000 0.937 165 F CB 1.798 40.703 39.000 -0.159 0.000 1.282 165 F HN 0.596 nan 8.300 nan 0.000 0.460 166 A N 2.299 124.961 122.820 -0.263 0.000 2.454 166 A HA 0.936 5.257 4.320 0.000 0.000 0.302 166 A C -1.158 176.293 177.584 -0.222 0.000 1.079 166 A CA -0.718 50.996 52.037 -0.537 0.000 0.731 166 A CB 1.485 19.779 19.000 -1.175 0.000 1.299 166 A HN 0.785 nan 8.150 nan 0.000 0.413 167 I N -1.327 119.190 120.570 -0.087 0.000 2.892 167 I HA 0.771 4.942 4.170 0.000 0.000 0.306 167 I C -2.913 173.335 176.117 0.218 0.000 1.078 167 I CA -2.991 58.351 61.300 0.071 0.000 1.032 167 I CB 2.327 40.409 38.000 0.136 0.000 1.229 167 I HN 0.257 nan 8.210 nan 0.000 0.435 168 P HA 0.275 nan 4.420 nan 0.000 0.275 168 P C -0.822 176.642 177.300 0.274 0.000 1.228 168 P CA -0.232 62.995 63.100 0.213 0.000 0.786 168 P CB 0.900 32.708 31.700 0.179 0.000 0.927 169 A N 3.999 126.875 122.820 0.093 0.000 2.316 169 A HA 0.551 4.872 4.320 0.000 0.000 0.284 169 A C -2.176 175.306 177.584 -0.170 0.000 1.115 169 A CA -1.676 50.178 52.037 -0.306 0.000 0.812 169 A CB -0.616 17.997 19.000 -0.645 0.000 1.064 169 A HN 0.415 nan 8.150 nan 0.000 0.489 170 P HA 0.161 nan 4.420 nan 0.000 0.271 170 P C -1.220 176.110 177.300 0.050 0.000 1.233 170 P CA 0.393 63.425 63.100 -0.113 0.000 0.764 170 P CB 0.129 31.482 31.700 -0.577 0.000 0.825 171 F N 4.320 124.296 119.950 0.043 0.000 2.646 171 F HA 0.185 4.712 4.527 0.001 0.000 0.364 171 F C 1.377 177.169 175.800 -0.014 0.000 1.137 171 F CA -1.029 56.959 58.000 -0.020 0.000 1.085 171 F CB 0.649 39.622 39.000 -0.045 0.000 1.331 171 F HN 0.256 nan 8.300 nan 0.000 0.472 172 T N 1.986 116.652 114.554 0.186 0.000 2.759 172 T HA -0.258 4.092 4.350 0.000 0.000 0.269 172 T C 1.771 176.344 174.700 -0.211 0.000 1.042 172 T CA 1.655 63.790 62.100 0.058 0.000 1.140 172 T CB -0.780 68.210 68.868 0.203 0.000 0.864 172 T HN 0.549 nan 8.240 nan 0.000 0.455 173 Y N 3.156 123.115 120.300 -0.568 0.000 2.181 173 Y HA 0.089 4.640 4.550 0.001 0.000 0.288 173 Y C 1.185 176.651 175.900 -0.723 0.000 1.146 173 Y CA 0.774 58.502 58.100 -0.620 0.000 1.164 173 Y CB -0.048 38.090 38.460 -0.537 0.000 0.982 173 Y HN 0.224 nan 8.280 nan 0.000 0.515 174 R N 1.093 120.881 120.500 -1.188 0.000 2.494 174 R HA 0.283 4.624 4.340 0.000 0.000 0.284 174 R C -2.764 173.177 176.300 -0.598 0.000 1.525 174 R CA -1.941 53.678 56.100 -0.801 0.000 1.460 174 R CB 0.755 30.689 30.300 -0.610 0.000 1.134 174 R HN 0.076 nan 8.270 nan 0.000 0.592 175 P HA 0.176 nan 4.420 nan 0.000 0.275 175 P C -0.238 176.814 177.300 -0.412 0.000 1.228 175 P CA -0.405 62.167 63.100 -0.879 0.000 0.786 175 P CB 1.188 32.191 31.700 -1.162 0.000 0.927 176 R N 0.542 120.926 120.500 -0.193 0.000 2.538 176 R HA 0.290 4.630 4.340 0.000 0.000 0.372 176 R C -0.626 175.789 176.300 0.192 0.000 0.950 176 R CA -0.122 55.992 56.100 0.022 0.000 1.168 176 R CB 0.444 30.779 30.300 0.059 0.000 1.542 176 R HN 0.357 nan 8.270 nan 0.000 0.536 177 F N 2.671 122.738 119.950 0.195 0.000 2.577 177 F HA 0.245 4.772 4.527 0.001 0.000 0.344 177 F C -0.530 175.400 175.800 0.215 0.000 1.145 177 F CA -0.856 57.243 58.000 0.165 0.000 0.996 177 F CB 1.117 40.219 39.000 0.170 0.000 1.248 177 F HN -0.041 nan 8.300 nan 0.000 0.447 178 E N 4.652 124.794 120.200 -0.097 0.000 2.207 178 E HA 0.683 5.034 4.350 0.000 0.000 0.270 178 E C -1.194 175.337 176.600 -0.114 0.000 0.927 178 E CA -1.156 55.235 56.400 -0.014 0.000 0.799 178 E CB 2.202 31.897 29.700 -0.008 0.000 1.172 178 E HN 0.580 nan 8.360 nan 0.000 0.404 179 R N 1.929 122.415 120.500 -0.023 0.000 2.514 179 R HA 0.261 4.601 4.340 0.000 0.000 0.296 179 R C -1.015 175.272 176.300 -0.021 0.000 1.012 179 R CA -0.693 55.388 56.100 -0.033 0.000 0.897 179 R CB 1.023 31.328 30.300 0.009 0.000 1.184 179 R HN 0.817 nan 8.270 nan 0.000 0.440 180 N N 2.204 120.886 118.700 -0.030 0.000 2.641 180 N HA -0.195 4.545 4.740 0.000 0.000 0.267 180 N C 0.240 175.741 175.510 -0.015 0.000 1.087 180 N CA 1.001 54.038 53.050 -0.021 0.000 0.731 180 N CB -1.076 37.401 38.487 -0.016 0.000 0.886 180 N HN 1.109 nan 8.380 nan 0.000 0.547 181 G N -1.034 107.754 108.800 -0.019 0.000 2.421 181 G HA2 0.047 4.007 3.960 0.000 0.000 0.300 181 G HA3 0.047 4.007 3.960 0.000 0.000 0.300 181 G C 0.198 175.103 174.900 0.008 0.000 0.974 181 G CA 0.965 46.059 45.100 -0.010 0.000 1.062 181 G HN 1.488 nan 8.290 nan 0.000 0.514 182 A N -0.734 122.098 122.820 0.021 0.000 2.517 182 A HA 0.583 4.904 4.320 0.000 0.000 0.297 182 A C -0.685 176.966 177.584 0.112 0.000 1.050 182 A CA -0.712 51.356 52.037 0.051 0.000 0.694 182 A CB 1.058 20.067 19.000 0.016 0.000 1.277 182 A HN 1.321 nan 8.150 nan 0.000 0.400 183 Y N 2.485 122.794 120.300 0.014 0.000 2.640 183 Y HA 0.359 4.909 4.550 0.000 0.000 0.355 183 Y C -0.164 175.765 175.900 0.048 0.000 1.088 183 Y CA -0.554 57.583 58.100 0.061 0.000 1.443 183 Y CB 0.293 38.804 38.460 0.085 0.000 1.224 183 Y HN 0.593 nan 8.280 nan 0.000 0.516 184 D N 5.748 126.054 120.400 -0.156 0.000 2.500 184 D HA -0.003 4.637 4.640 0.000 0.000 0.219 184 D C 0.536 176.593 176.300 -0.404 0.000 1.137 184 D CA -0.421 53.394 54.000 -0.308 0.000 0.946 184 D CB -0.156 40.599 40.800 -0.074 0.000 1.022 184 D HN 0.627 nan 8.370 nan 0.000 0.518 185 Y N 1.966 121.912 120.300 -0.590 0.000 2.497 185 Y HA 0.010 4.561 4.550 0.001 0.000 0.292 185 Y C 1.133 176.995 175.900 -0.064 0.000 1.137 185 Y CA 0.161 58.012 58.100 -0.415 0.000 1.285 185 Y CB -0.322 37.891 38.460 -0.411 0.000 0.991 185 Y HN 0.224 nan 8.280 nan 0.000 0.556 186 L N 0.778 121.941 121.223 -0.100 0.000 2.209 186 L HA 0.224 4.564 4.340 0.000 0.000 0.207 186 L C 2.549 179.400 176.870 -0.031 0.000 1.094 186 L CA 1.103 55.943 54.840 -0.000 0.000 0.790 186 L CB -1.470 40.532 42.059 -0.095 0.000 0.932 186 L HN 0.385 nan 8.230 nan 0.000 0.447 187 A N -0.935 121.856 122.820 -0.048 0.000 1.969 187 A HA -0.206 4.114 4.320 0.000 0.000 0.218 187 A C 2.293 179.788 177.584 -0.147 0.000 1.169 187 A CA 1.470 53.522 52.037 0.024 0.000 0.635 187 A CB -0.410 18.690 19.000 0.166 0.000 0.810 187 A HN 0.466 nan 8.150 nan 0.000 0.445 188 E N -0.448 119.530 120.200 -0.370 0.000 2.077 188 E HA -0.206 4.144 4.350 0.000 0.000 0.193 188 E C 1.894 178.343 176.600 -0.252 0.000 0.989 188 E CA 1.355 57.235 56.400 -0.867 0.000 0.800 188 E CB -0.197 29.256 29.700 -0.412 0.000 0.746 188 E HN 0.450 nan 8.360 nan 0.000 0.452 189 L N 1.588 122.815 121.223 0.007 0.000 2.046 189 L HA -0.191 4.149 4.340 0.000 0.000 0.208 189 L C 1.576 178.527 176.870 0.135 0.000 1.077 189 L CA 2.053 56.976 54.840 0.138 0.000 0.747 189 L CB -0.519 41.578 42.059 0.063 0.000 0.896 189 L HN 0.091 nan 8.230 nan 0.000 0.432 190 D N -1.420 119.014 120.400 0.057 0.000 2.097 190 D HA -0.265 4.375 4.640 0.000 0.000 0.195 190 D C 2.038 178.420 176.300 0.137 0.000 0.989 190 D CA 1.845 55.893 54.000 0.080 0.000 0.827 190 D CB -0.395 40.439 40.800 0.057 0.000 0.966 190 D HN 0.534 nan 8.370 nan 0.000 0.456 191 Y N 1.525 121.795 120.300 -0.050 0.000 2.145 191 Y HA -0.197 4.353 4.550 0.000 0.000 0.286 191 Y C 2.305 178.199 175.900 -0.011 0.000 1.145 191 Y CA 1.917 60.003 58.100 -0.024 0.000 1.148 191 Y CB -0.232 38.167 38.460 -0.101 0.000 0.981 191 Y HN -0.048 nan 8.280 nan 0.000 0.507 192 A N 0.051 122.963 122.820 0.154 0.000 1.865 192 A HA -0.242 4.078 4.320 0.000 0.000 0.217 192 A C 2.120 179.661 177.584 -0.072 0.000 1.191 192 A CA 1.925 53.997 52.037 0.058 0.000 0.623 192 A CB -1.570 17.494 19.000 0.106 0.000 0.826 192 A HN 0.574 nan 8.150 nan 0.000 0.444 193 F N 0.031 119.963 119.950 -0.031 0.000 2.171 193 F HA -0.179 4.349 4.527 0.000 0.000 0.300 193 F C 2.105 177.840 175.800 -0.109 0.000 1.090 193 F CA 1.898 59.859 58.000 -0.064 0.000 1.293 193 F CB -0.253 38.714 39.000 -0.055 0.000 1.013 193 F HN 0.381 nan 8.300 nan 0.000 0.486 194 D N -0.102 120.324 120.400 0.042 0.000 2.117 194 D HA -0.194 4.446 4.640 0.000 0.000 0.197 194 D C 2.122 178.344 176.300 -0.130 0.000 0.987 194 D CA 0.891 54.864 54.000 -0.045 0.000 0.829 194 D CB -0.143 40.604 40.800 -0.089 0.000 0.961 194 D HN 0.138 nan 8.370 nan 0.000 0.460 195 L N 0.370 121.472 121.223 -0.202 0.000 2.046 195 L HA -0.090 4.250 4.340 0.000 0.000 0.208 195 L C 1.996 178.717 176.870 -0.248 0.000 1.077 195 L CA 1.351 56.062 54.840 -0.215 0.000 0.747 195 L CB -0.614 41.315 42.059 -0.217 0.000 0.896 195 L HN 0.153 nan 8.230 nan 0.000 0.432 196 I N -0.139 120.231 120.570 -0.333 0.000 2.163 196 I HA -0.296 3.874 4.170 0.000 0.000 0.243 196 I C 2.201 178.080 176.117 -0.396 0.000 1.085 196 I CA 1.424 62.407 61.300 -0.529 0.000 1.347 196 I CB -1.417 36.203 38.000 -0.632 0.000 1.044 196 I HN 0.304 nan 8.210 nan 0.000 0.408 197 D N 0.669 120.949 120.400 -0.201 0.000 2.149 197 D HA -0.186 4.454 4.640 0.000 0.000 0.198 197 D C 2.367 178.594 176.300 -0.122 0.000 0.990 197 D CA 1.192 55.125 54.000 -0.112 0.000 0.839 197 D CB -0.195 40.591 40.800 -0.024 0.000 0.948 197 D HN 0.330 nan 8.370 nan 0.000 0.460 198 R N 0.001 120.424 120.500 -0.128 0.000 2.148 198 R HA 0.011 4.352 4.340 0.000 0.000 0.223 198 R C 2.305 178.549 176.300 -0.092 0.000 1.088 198 R CA 0.764 56.808 56.100 -0.093 0.000 0.985 198 R CB 0.062 30.314 30.300 -0.080 0.000 0.880 198 R HN 0.304 nan 8.270 nan 0.000 0.451 199 Q N -0.174 119.530 119.800 -0.160 0.000 2.204 199 Q HA 0.067 4.407 4.340 0.000 0.000 0.198 199 Q C 0.740 176.702 176.000 -0.063 0.000 0.946 199 Q CA 0.160 55.902 55.803 -0.101 0.000 0.859 199 Q CB 0.227 28.893 28.738 -0.118 0.000 0.946 199 Q HN 0.070 nan 8.270 nan 0.000 0.474 200 S N 0.742 116.311 115.700 -0.219 0.000 2.553 200 S HA -0.078 4.392 4.470 0.000 0.000 0.293 200 S C 1.003 175.607 174.600 0.007 0.000 1.296 200 S CA 0.282 58.423 58.200 -0.098 0.000 1.046 200 S CB 0.546 63.649 63.200 -0.162 0.000 0.810 200 S HN 0.413 nan 8.310 nan 0.000 0.505 201 S N 2.857 118.585 115.700 0.046 0.000 2.605 201 S HA 0.365 4.836 4.470 0.000 0.000 0.217 201 S C 1.231 175.833 174.600 0.003 0.000 0.958 201 S CA 0.323 58.553 58.200 0.049 0.000 0.919 201 S CB -0.294 62.973 63.200 0.113 0.000 0.780 201 S HN 2.065 nan 8.310 nan 0.000 0.507 202 G N 1.744 110.524 108.800 -0.033 0.000 2.142 202 G HA2 -0.198 3.762 3.960 0.000 0.000 0.225 202 G HA3 -0.198 3.762 3.960 0.000 0.000 0.225 202 G C -0.002 174.851 174.900 -0.078 0.000 1.015 202 G CA -0.002 45.074 45.100 -0.041 0.000 0.716 202 G HN 0.539 nan 8.290 nan 0.000 0.508 203 N N 0.122 118.725 118.700 -0.161 0.000 2.497 203 N HA 0.199 4.939 4.740 0.000 0.000 0.284 203 N C 0.390 175.746 175.510 -0.257 0.000 1.459 203 N CA -0.242 52.640 53.050 -0.280 0.000 0.899 203 N CB 0.553 38.635 38.487 -0.675 0.000 1.316 203 N HN 0.373 nan 8.380 nan 0.000 0.500 204 L N 1.116 122.268 121.223 -0.117 0.000 2.500 204 L HA 0.149 4.490 4.340 0.000 0.000 0.272 204 L C 1.456 178.309 176.870 -0.029 0.000 1.149 204 L CA -0.099 54.712 54.840 -0.049 0.000 0.897 204 L CB 0.850 42.913 42.059 0.007 0.000 1.178 204 L HN 0.173 nan 8.230 nan 0.000 0.473 205 A N 3.524 126.332 122.820 -0.020 0.000 1.963 205 A HA 0.684 5.004 4.320 0.000 0.000 0.207 205 A C 0.765 178.364 177.584 0.025 0.000 1.243 205 A CA 0.871 52.909 52.037 0.001 0.000 0.728 205 A CB 0.260 19.265 19.000 0.008 0.000 0.895 205 A HN 0.719 nan 8.150 nan 0.000 0.467 206 A N -1.916 120.927 122.820 0.038 0.000 2.601 206 A HA 0.608 4.929 4.320 0.000 0.000 0.291 206 A C -1.720 175.914 177.584 0.084 0.000 1.075 206 A CA -0.403 51.670 52.037 0.061 0.000 0.671 206 A CB 0.343 19.356 19.000 0.022 0.000 1.277 206 A HN 0.664 nan 8.150 nan 0.000 0.417 207 F N 0.786 120.729 119.950 -0.011 0.000 2.482 207 F HA 0.749 5.276 4.527 0.000 0.000 0.331 207 F C -0.493 175.262 175.800 -0.076 0.000 1.115 207 F CA -0.695 57.285 58.000 -0.033 0.000 0.955 207 F CB 1.285 40.284 39.000 -0.002 0.000 1.136 207 F HN 0.611 nan 8.300 nan 0.000 0.452 208 I N 5.514 125.973 120.570 -0.185 0.000 2.433 208 I HA 0.815 4.985 4.170 0.000 0.000 0.292 208 I C -1.370 174.772 176.117 0.042 0.000 1.001 208 I CA -0.330 60.913 61.300 -0.096 0.000 1.119 208 I CB 1.207 39.008 38.000 -0.332 0.000 1.289 208 I HN 0.740 nan 8.210 nan 0.000 0.438 209 A N 5.862 128.817 122.820 0.227 0.000 2.572 209 A HA 0.623 4.944 4.320 0.000 0.000 0.295 209 A C -1.359 176.496 177.584 0.452 0.000 1.072 209 A CA -0.660 51.628 52.037 0.419 0.000 0.691 209 A CB 1.428 20.704 19.000 0.461 0.000 1.291 209 A HN 0.724 nan 8.150 nan 0.000 0.404 210 E N 1.706 122.222 120.200 0.525 0.000 2.216 210 E HA 0.371 4.722 4.350 0.000 0.000 0.279 210 E C -1.841 174.931 176.600 0.286 0.000 0.997 210 E CA -1.734 54.873 56.400 0.345 0.000 0.817 210 E CB 1.544 31.393 29.700 0.249 0.000 1.096 210 E HN 0.372 nan 8.360 nan 0.000 0.393 211 P HA -0.042 nan 4.420 nan 0.000 0.219 211 P C -0.151 177.195 177.300 0.076 0.000 1.150 211 P CA 1.117 64.305 63.100 0.146 0.000 0.814 211 P CB 0.446 32.218 31.700 0.120 0.000 0.787 212 I N -0.565 120.041 120.570 0.060 0.000 2.468 212 I HA 0.151 4.322 4.170 0.000 0.000 0.284 212 I C -0.728 175.389 176.117 0.000 0.000 1.038 212 I CA -1.216 60.084 61.300 0.001 0.000 1.083 212 I CB 1.953 39.950 38.000 -0.005 0.000 1.223 212 I HN -0.321 nan 8.210 nan 0.000 0.443 213 L N 5.433 126.626 121.223 -0.049 0.000 2.600 213 L HA 0.067 4.407 4.340 0.000 0.000 0.278 213 L C 1.435 178.268 176.870 -0.062 0.000 1.139 213 L CA 0.791 55.604 54.840 -0.044 0.000 0.933 213 L CB 0.752 42.741 42.059 -0.117 0.000 1.266 213 L HN 0.653 nan 8.230 nan 0.000 0.471 214 S N 1.328 117.007 115.700 -0.034 0.000 2.336 214 S HA -0.108 4.362 4.470 0.000 0.000 0.216 214 S C 1.973 176.520 174.600 -0.088 0.000 1.032 214 S CA 1.417 59.581 58.200 -0.060 0.000 0.973 214 S CB 0.149 63.317 63.200 -0.052 0.000 0.888 214 S HN 0.704 nan 8.310 nan 0.000 0.455 215 S N 0.654 116.299 115.700 -0.093 0.000 2.419 215 S HA 0.031 4.501 4.470 0.000 0.000 0.233 215 S C 1.832 176.395 174.600 -0.062 0.000 1.016 215 S CA 0.953 59.079 58.200 -0.123 0.000 0.974 215 S CB -0.689 62.419 63.200 -0.152 0.000 0.786 215 S HN 0.699 nan 8.310 nan 0.000 0.492 216 G N 0.316 109.088 108.800 -0.046 0.000 2.679 216 G HA2 0.333 4.293 3.960 0.000 0.000 0.212 216 G HA3 0.333 4.293 3.960 0.000 0.000 0.212 216 G C 0.800 175.603 174.900 -0.162 0.000 1.137 216 G CA 0.401 45.454 45.100 -0.078 0.000 0.787 216 G HN 0.830 nan 8.290 nan 0.000 0.534 217 G N 0.479 109.192 108.800 -0.146 0.000 2.245 217 G HA2 -0.093 3.867 3.960 0.000 0.000 0.130 217 G HA3 -0.093 3.867 3.960 0.000 0.000 0.130 217 G C 0.349 175.158 174.900 -0.151 0.000 1.040 217 G CA -0.427 44.583 45.100 -0.150 0.000 0.713 217 G HN 0.815 nan 8.290 nan 0.000 0.488 218 I N -0.740 119.757 120.570 -0.122 0.000 7.154 218 I HA -0.218 3.952 4.170 0.000 0.000 0.126 218 I C 0.473 176.517 176.117 -0.121 0.000 1.808 218 I CA 0.867 62.110 61.300 -0.094 0.000 2.123 218 I CB -1.873 36.096 38.000 -0.052 0.000 3.552 218 I HN 0.443 nan 8.210 nan 0.000 0.195 219 I N 2.479 122.937 120.570 -0.186 0.000 2.328 219 I HA 0.257 4.427 4.170 0.000 0.000 0.287 219 I C 0.933 176.952 176.117 -0.164 0.000 1.012 219 I CA -0.278 60.885 61.300 -0.229 0.000 1.195 219 I CB 1.488 39.227 38.000 -0.435 0.000 1.350 219 I HN 0.291 nan 8.210 nan 0.000 0.464 220 E N 6.773 126.915 120.200 -0.097 0.000 2.259 220 E HA 0.341 4.691 4.350 0.000 0.000 0.281 220 E C -0.743 175.767 176.600 -0.151 0.000 1.027 220 E CA -0.714 55.633 56.400 -0.088 0.000 0.838 220 E CB 1.049 30.725 29.700 -0.040 0.000 1.066 220 E HN 0.498 nan 8.360 nan 0.000 0.401 221 L N 7.293 128.413 121.223 -0.170 0.000 2.477 221 L HA 0.196 4.537 4.340 0.000 0.000 0.272 221 L C -1.692 175.058 176.870 -0.200 0.000 1.157 221 L CA -1.636 53.038 54.840 -0.278 0.000 0.889 221 L CB -0.116 41.862 42.059 -0.135 0.000 1.158 221 L HN 0.463 nan 8.230 nan 0.000 0.473 222 P HA 0.025 nan 4.420 nan 0.000 0.274 222 P C -0.713 176.526 177.300 -0.102 0.000 1.260 222 P CA -0.519 62.408 63.100 -0.288 0.000 0.793 222 P CB 0.499 31.790 31.700 -0.682 0.000 1.048 223 D N -0.707 119.725 120.400 0.054 0.000 2.581 223 D HA 0.262 4.902 4.640 0.000 0.000 0.238 223 D C 1.507 177.946 176.300 0.232 0.000 1.145 223 D CA 2.363 56.450 54.000 0.144 0.000 0.866 223 D CB -0.551 40.344 40.800 0.158 0.000 1.151 223 D HN 0.697 nan 8.370 nan 0.000 0.500 224 G N 2.311 111.209 108.800 0.163 0.000 2.184 224 G HA2 -0.429 3.532 3.960 0.000 0.000 0.264 224 G HA3 -0.429 3.532 3.960 0.000 0.000 0.264 224 G C 0.831 175.833 174.900 0.170 0.000 0.975 224 G CA 0.588 45.778 45.100 0.151 0.000 0.642 224 G HN 0.609 nan 8.290 nan 0.000 0.536 225 Y N 0.374 120.724 120.300 0.084 0.000 2.114 225 Y HA 0.036 4.586 4.550 0.000 0.000 0.284 225 Y C 2.879 178.793 175.900 0.024 0.000 1.143 225 Y CA 2.914 61.048 58.100 0.057 0.000 1.135 225 Y CB -0.321 38.096 38.460 -0.071 0.000 0.980 225 Y HN 0.346 nan 8.280 nan 0.000 0.499 226 M N 0.145 119.848 119.600 0.172 0.000 2.108 226 M HA -0.177 4.303 4.480 0.000 0.000 0.261 226 M C 2.209 178.481 176.300 -0.047 0.000 1.066 226 M CA 2.271 57.617 55.300 0.077 0.000 1.107 226 M CB -0.396 32.273 32.600 0.116 0.000 1.356 226 M HN 0.301 nan 8.290 nan 0.000 0.406 227 A N 0.088 122.891 122.820 -0.029 0.000 1.902 227 A HA -0.024 4.296 4.320 0.000 0.000 0.217 227 A C 2.363 179.876 177.584 -0.118 0.000 1.181 227 A CA 1.971 53.975 52.037 -0.055 0.000 0.623 227 A CB -1.388 17.597 19.000 -0.025 0.000 0.818 227 A HN 0.689 nan 8.150 nan 0.000 0.443 228 A N -0.500 122.227 122.820 -0.154 0.000 1.902 228 A HA -0.048 4.272 4.320 0.000 0.000 0.217 228 A C 2.148 179.534 177.584 -0.330 0.000 1.181 228 A CA 1.756 53.656 52.037 -0.228 0.000 0.623 228 A CB -0.656 18.199 19.000 -0.241 0.000 0.818 228 A HN 0.693 nan 8.150 nan 0.000 0.443 229 L N -0.084 120.890 121.223 -0.415 0.000 2.012 229 L HA -0.148 4.193 4.340 0.000 0.000 0.210 229 L C 2.299 178.962 176.870 -0.345 0.000 1.073 229 L CA 2.781 57.349 54.840 -0.453 0.000 0.748 229 L CB -0.558 41.226 42.059 -0.457 0.000 0.891 229 L HN 0.359 nan 8.230 nan 0.000 0.431 230 K N -0.601 119.660 120.400 -0.232 0.000 2.152 230 K HA -0.170 4.151 4.320 0.000 0.000 0.206 230 K C 2.253 178.748 176.600 -0.175 0.000 1.048 230 K CA 1.344 57.532 56.287 -0.164 0.000 0.933 230 K CB -0.211 32.227 32.500 -0.104 0.000 0.721 230 K HN 0.183 nan 8.250 nan 0.000 0.447 231 R N 0.259 120.638 120.500 -0.201 0.000 2.090 231 R HA 0.008 4.348 4.340 0.000 0.000 0.228 231 R C 1.807 177.951 176.300 -0.260 0.000 1.110 231 R CA 0.895 56.880 56.100 -0.193 0.000 0.973 231 R CB -0.065 30.135 30.300 -0.166 0.000 0.869 231 R HN 0.144 nan 8.270 nan 0.000 0.440 232 K N 0.140 120.304 120.400 -0.394 0.000 2.097 232 K HA -0.097 4.224 4.320 0.000 0.000 0.206 232 K C 2.198 178.517 176.600 -0.468 0.000 1.049 232 K CA 1.052 56.965 56.287 -0.623 0.000 0.933 232 K CB -0.502 31.310 32.500 -1.147 0.000 0.717 232 K HN 0.199 nan 8.250 nan 0.000 0.442 233 C N 1.124 120.241 119.300 -0.305 0.000 2.462 233 C HA -0.055 4.405 4.460 0.000 0.000 0.278 233 C C 2.587 177.517 174.990 -0.101 0.000 1.253 233 C CA 0.557 59.499 59.018 -0.126 0.000 1.713 233 C CB -0.677 27.023 27.740 -0.067 0.000 2.049 233 C HN 0.544 nan 8.230 nan 0.000 0.477 234 E N 1.022 121.154 120.200 -0.113 0.000 2.097 234 E HA -0.219 4.131 4.350 0.000 0.000 0.196 234 E C 2.279 178.829 176.600 -0.084 0.000 1.000 234 E CA 1.495 57.844 56.400 -0.085 0.000 0.804 234 E CB -0.291 29.357 29.700 -0.087 0.000 0.740 234 E HN 0.673 nan 8.360 nan 0.000 0.454 235 A N 0.937 123.688 122.820 -0.116 0.000 2.019 235 A HA -0.132 4.188 4.320 0.000 0.000 0.219 235 A C 1.909 179.445 177.584 -0.080 0.000 1.164 235 A CA 1.104 53.079 52.037 -0.103 0.000 0.644 235 A CB -0.176 18.743 19.000 -0.136 0.000 0.805 235 A HN 0.058 nan 8.150 nan 0.000 0.449 236 R N -1.680 118.774 120.500 -0.076 0.000 2.362 236 R HA 0.260 4.600 4.340 0.000 0.000 0.227 236 R C 1.032 177.321 176.300 -0.018 0.000 0.905 236 R CA 0.491 56.571 56.100 -0.033 0.000 1.067 236 R CB 0.171 30.474 30.300 0.005 0.000 1.078 236 R HN 0.603 nan 8.270 nan 0.000 0.516 237 G N 1.594 110.378 108.800 -0.027 0.000 2.176 237 G HA2 -0.302 3.658 3.960 0.000 0.000 0.252 237 G HA3 -0.302 3.658 3.960 0.000 0.000 0.252 237 G C 0.016 174.912 174.900 -0.007 0.000 1.024 237 G CA 0.182 45.271 45.100 -0.019 0.000 0.755 237 G HN 0.169 nan 8.290 nan 0.000 0.507 238 M N -0.234 119.367 119.600 0.002 0.000 2.478 238 M HA 0.616 5.096 4.480 0.000 0.000 0.327 238 M C 0.803 177.114 176.300 0.018 0.000 1.187 238 M CA -0.696 54.620 55.300 0.026 0.000 1.022 238 M CB 1.428 34.072 32.600 0.074 0.000 1.629 238 M HN 0.032 nan 8.290 nan 0.000 0.461 239 L N 2.167 123.404 121.223 0.024 0.000 2.379 239 L HA 0.532 4.872 4.340 0.000 0.000 0.269 239 L C -0.738 176.157 176.870 0.040 0.000 1.084 239 L CA -1.011 53.836 54.840 0.012 0.000 0.802 239 L CB 1.034 43.090 42.059 -0.005 0.000 1.175 239 L HN 0.497 nan 8.230 nan 0.000 0.448 240 L N 3.088 124.326 121.223 0.025 0.000 2.287 240 L HA 0.518 4.859 4.340 0.000 0.000 0.287 240 L C -0.601 176.289 176.870 0.033 0.000 1.022 240 L CA 0.118 54.989 54.840 0.051 0.000 0.814 240 L CB 1.010 43.077 42.059 0.014 0.000 1.217 240 L HN 0.337 nan 8.230 nan 0.000 0.420 241 I N 5.877 126.478 120.570 0.051 0.000 2.339 241 I HA 0.288 4.459 4.170 0.000 0.000 0.290 241 I C -0.908 175.233 176.117 0.041 0.000 0.994 241 I CA -0.685 60.621 61.300 0.011 0.000 1.191 241 I CB 1.608 39.590 38.000 -0.030 0.000 1.343 241 I HN 0.408 nan 8.210 nan 0.000 0.458 242 L N 6.430 127.672 121.223 0.031 0.000 2.265 242 L HA 0.342 4.682 4.340 0.000 0.000 0.289 242 L C -0.270 176.642 176.870 0.070 0.000 1.033 242 L CA -0.149 54.734 54.840 0.072 0.000 0.814 242 L CB 1.034 43.127 42.059 0.057 0.000 1.203 242 L HN 0.423 nan 8.230 nan 0.000 0.423 243 D N 3.938 124.418 120.400 0.134 0.000 2.411 243 D HA 0.096 4.736 4.640 0.000 0.000 0.225 243 D C 0.046 176.442 176.300 0.161 0.000 1.156 243 D CA 0.112 54.207 54.000 0.158 0.000 0.874 243 D CB 0.620 41.600 40.800 0.301 0.000 1.034 243 D HN 0.527 nan 8.370 nan 0.000 0.502 244 E N 2.568 122.839 120.200 0.119 0.000 2.411 244 E HA 0.152 4.503 4.350 0.000 0.000 0.204 244 E C 1.212 177.886 176.600 0.124 0.000 1.059 244 E CA -0.356 56.123 56.400 0.132 0.000 1.112 244 E CB 0.704 30.495 29.700 0.152 0.000 1.168 244 E HN 0.551 nan 8.360 nan 0.000 0.445 245 A N 0.873 123.765 122.820 0.120 0.000 1.917 245 A HA -0.260 4.060 4.320 0.000 0.000 0.219 245 A C 2.056 179.686 177.584 0.076 0.000 1.182 245 A CA 1.445 53.542 52.037 0.101 0.000 0.633 245 A CB -0.056 19.015 19.000 0.119 0.000 0.819 245 A HN 0.246 nan 8.150 nan 0.000 0.448 246 Q N -1.713 118.130 119.800 0.072 0.000 2.373 246 Q HA -0.033 4.307 4.340 0.000 0.000 0.210 246 Q C 2.131 178.151 176.000 0.033 0.000 0.913 246 Q CA 1.308 57.133 55.803 0.037 0.000 0.911 246 Q CB 0.096 28.844 28.738 0.018 0.000 1.040 246 Q HN 0.873 nan 8.270 nan 0.000 0.521 247 T N -2.257 112.333 114.554 0.061 0.000 3.035 247 T HA 0.116 4.466 4.350 0.000 0.000 0.259 247 T C 1.133 175.879 174.700 0.076 0.000 1.078 247 T CA 0.349 62.485 62.100 0.059 0.000 1.132 247 T CB -0.115 68.801 68.868 0.080 0.000 0.900 247 T HN 0.134 nan 8.240 nan 0.000 0.480 248 G N 1.141 110.021 108.800 0.133 0.000 2.667 248 G HA2 0.398 4.358 3.960 0.000 0.000 0.250 248 G HA3 0.398 4.358 3.960 0.000 0.000 0.250 248 G C 0.212 175.125 174.900 0.023 0.000 1.212 248 G CA 0.032 45.256 45.100 0.206 0.000 0.874 248 G HN 0.970 nan 8.290 nan 0.000 0.561 249 V N -0.321 119.506 119.914 -0.145 0.000 5.961 249 V HA -0.184 3.936 4.120 0.000 0.000 0.311 249 V C 1.833 177.811 176.094 -0.192 0.000 0.552 249 V CA 1.523 63.693 62.300 -0.217 0.000 0.641 249 V CB -2.110 29.668 31.823 -0.075 0.000 0.286 249 V HN 2.823 nan 8.190 nan 0.000 0.939 250 G N 0.073 108.727 108.800 -0.243 0.000 2.179 250 G HA2 -0.421 3.539 3.960 0.000 0.000 0.260 250 G HA3 -0.421 3.539 3.960 0.000 0.000 0.260 250 G C 0.798 175.633 174.900 -0.108 0.000 0.977 250 G CA 1.187 46.184 45.100 -0.172 0.000 0.641 250 G HN 0.961 nan 8.290 nan 0.000 0.533 251 R N 0.659 121.107 120.500 -0.087 0.000 2.120 251 R HA -0.037 4.303 4.340 0.000 0.000 0.234 251 R C 2.579 178.844 176.300 -0.058 0.000 1.123 251 R CA 2.328 58.387 56.100 -0.068 0.000 0.975 251 R CB -0.435 29.833 30.300 -0.053 0.000 0.866 251 R HN 0.556 nan 8.270 nan 0.000 0.446 252 T N -3.554 110.973 114.554 -0.045 0.000 3.129 252 T HA 0.275 4.626 4.350 0.000 0.000 0.251 252 T C 1.239 175.918 174.700 -0.035 0.000 1.117 252 T CA 0.296 62.377 62.100 -0.031 0.000 1.034 252 T CB 0.833 69.696 68.868 -0.009 0.000 0.968 252 T HN 0.427 nan 8.240 nan 0.000 0.526 253 G N 1.277 110.047 108.800 -0.049 0.000 2.179 253 G HA2 -0.175 3.785 3.960 0.000 0.000 0.220 253 G HA3 -0.175 3.785 3.960 0.000 0.000 0.220 253 G C 0.201 175.071 174.900 -0.049 0.000 0.990 253 G CA 0.035 45.108 45.100 -0.046 0.000 0.646 253 G HN 1.095 nan 8.290 nan 0.000 0.517 254 T N -3.105 111.414 114.554 -0.059 0.000 2.906 254 T HA 0.652 5.002 4.350 0.000 0.000 0.295 254 T C 1.110 175.719 174.700 -0.151 0.000 1.075 254 T CA 0.070 62.129 62.100 -0.068 0.000 1.005 254 T CB 1.800 70.656 68.868 -0.019 0.000 1.136 254 T HN 0.231 nan 8.240 nan 0.000 0.498 255 M N 0.383 119.844 119.600 -0.231 0.000 2.080 255 M HA 0.263 4.743 4.480 0.000 0.000 0.260 255 M C -0.542 175.247 176.300 -0.852 0.000 1.068 255 M CA 1.181 56.155 55.300 -0.545 0.000 1.109 255 M CB -0.964 31.288 32.600 -0.580 0.000 1.342 255 M HN 0.684 nan 8.290 nan 0.000 0.405 256 F N -2.059 117.891 119.950 0.000 0.000 2.540 256 F HA 0.535 5.063 4.527 0.000 0.000 0.317 256 F C 1.045 176.851 175.800 0.011 0.000 1.104 256 F CA -0.582 57.421 58.000 0.006 0.000 0.913 256 F CB 0.941 39.946 39.000 0.008 0.000 1.170 256 F HN 0.004 nan 8.300 nan 0.000 0.450 257 A N 0.869 123.811 122.820 0.203 0.000 1.940 257 A HA -0.243 4.077 4.320 0.000 0.000 0.219 257 A C 2.165 179.824 177.584 0.124 0.000 1.176 257 A CA 2.097 54.208 52.037 0.123 0.000 0.631 257 A CB -1.413 17.649 19.000 0.104 0.000 0.814 257 A HN 1.055 nan 8.150 nan 0.000 0.446 258 C N -1.235 118.155 119.300 0.150 0.000 2.409 258 C HA -0.111 4.349 4.460 0.000 0.000 0.284 258 C C 2.406 177.453 174.990 0.095 0.000 1.354 258 C CA 1.065 60.146 59.018 0.104 0.000 1.787 258 C CB -1.827 25.955 27.740 0.070 0.000 1.900 258 C HN 0.651 nan 8.230 nan 0.000 0.520 259 Q N 0.704 120.579 119.800 0.126 0.000 2.167 259 Q HA -0.147 4.193 4.340 0.000 0.000 0.202 259 Q C 2.512 178.550 176.000 0.064 0.000 0.970 259 Q CA 1.561 57.423 55.803 0.098 0.000 0.855 259 Q CB -0.230 28.577 28.738 0.115 0.000 0.911 259 Q HN 0.787 nan 8.270 nan 0.000 0.438 260 R N 1.032 121.568 120.500 0.060 0.000 2.083 260 R HA -0.163 4.177 4.340 0.000 0.000 0.237 260 R C 1.346 177.672 176.300 0.043 0.000 1.137 260 R CA 1.936 58.062 56.100 0.044 0.000 0.951 260 R CB -0.036 30.288 30.300 0.039 0.000 0.851 260 R HN 0.198 nan 8.270 nan 0.000 0.434 261 D N -1.244 119.186 120.400 0.049 0.000 2.323 261 D HA 0.040 4.680 4.640 0.000 0.000 0.209 261 D C 0.718 177.040 176.300 0.037 0.000 0.973 261 D CA 1.180 55.208 54.000 0.046 0.000 0.874 261 D CB 0.335 41.168 40.800 0.055 0.000 0.930 261 D HN 0.584 nan 8.370 nan 0.000 0.521 262 G N 1.135 109.957 108.800 0.038 0.000 2.179 262 G HA2 -0.271 3.690 3.960 0.000 0.000 0.257 262 G HA3 -0.271 3.690 3.960 0.000 0.000 0.257 262 G C 0.233 175.145 174.900 0.019 0.000 1.010 262 G CA 0.227 45.344 45.100 0.028 0.000 0.736 262 G HN 0.264 nan 8.290 nan 0.000 0.513 263 V N 1.146 121.074 119.914 0.023 0.000 2.357 263 V HA 0.666 4.786 4.120 0.000 0.000 0.284 263 V C 0.680 176.779 176.094 0.007 0.000 1.018 263 V CA 0.110 62.415 62.300 0.009 0.000 0.841 263 V CB 1.622 33.451 31.823 0.009 0.000 0.991 263 V HN 0.646 nan 8.190 nan 0.000 0.437 264 T N 6.438 120.988 114.554 -0.006 0.000 2.767 264 T HA 0.535 4.885 4.350 0.000 0.000 0.288 264 T C -1.923 172.761 174.700 -0.026 0.000 0.963 264 T CA -1.627 60.462 62.100 -0.017 0.000 1.019 264 T CB 1.517 70.372 68.868 -0.023 0.000 0.923 264 T HN 0.534 nan 8.240 nan 0.000 0.468 265 P HA 0.322 nan 4.420 nan 0.000 0.274 265 P C 0.150 177.424 177.300 -0.043 0.000 1.256 265 P CA -0.303 62.780 63.100 -0.029 0.000 0.795 265 P CB 0.915 32.600 31.700 -0.024 0.000 1.038 266 D N -0.195 120.182 120.400 -0.038 0.000 2.194 266 D HA 0.070 4.710 4.640 0.000 0.000 0.204 266 D C 0.653 176.916 176.300 -0.062 0.000 0.964 266 D CA 1.387 55.359 54.000 -0.047 0.000 0.846 266 D CB 0.325 41.102 40.800 -0.038 0.000 0.962 266 D HN 0.346 nan 8.370 nan 0.000 0.490 267 I N 0.919 121.453 120.570 -0.060 0.000 2.569 267 I HA 0.217 4.387 4.170 0.000 0.000 0.290 267 I C -1.226 174.847 176.117 -0.074 0.000 1.088 267 I CA -0.954 60.300 61.300 -0.077 0.000 1.047 267 I CB 2.935 40.886 38.000 -0.081 0.000 1.237 267 I HN -0.217 nan 8.210 nan 0.000 0.421 268 L N 6.421 127.584 121.223 -0.100 0.000 2.341 268 L HA 0.728 5.068 4.340 0.000 0.000 0.278 268 L C -0.103 176.709 176.870 -0.097 0.000 1.005 268 L CA 0.204 54.977 54.840 -0.111 0.000 0.818 268 L CB 1.902 43.840 42.059 -0.201 0.000 1.259 268 L HN 0.724 nan 8.230 nan 0.000 0.418 269 T N 3.324 117.846 114.554 -0.054 0.000 2.856 269 T HA 0.811 5.162 4.350 0.000 0.000 0.283 269 T C -0.567 174.135 174.700 0.003 0.000 1.008 269 T CA -0.676 61.404 62.100 -0.033 0.000 0.997 269 T CB 1.157 70.014 68.868 -0.019 0.000 0.992 269 T HN 0.573 nan 8.240 nan 0.000 0.454 270 L N 2.107 123.337 121.223 0.011 0.000 2.376 270 L HA 0.757 5.097 4.340 0.000 0.000 0.258 270 L C 0.514 177.411 176.870 0.046 0.000 1.013 270 L CA -0.841 54.029 54.840 0.050 0.000 0.822 270 L CB 2.491 44.589 42.059 0.065 0.000 1.388 270 L HN 1.051 nan 8.230 nan 0.000 0.413 271 S N -0.552 115.182 115.700 0.057 0.000 6.176 271 S HA 0.136 4.607 4.470 0.000 0.000 0.108 271 S C 1.030 175.653 174.600 0.039 0.000 1.234 271 S CA -0.367 57.861 58.200 0.046 0.000 1.275 271 S CB 0.081 63.314 63.200 0.056 0.000 1.979 271 S HN 0.476 nan 8.310 nan 0.000 0.622 272 K N 1.690 122.115 120.400 0.041 0.000 2.013 272 K HA -0.190 4.130 4.320 0.000 0.000 0.225 272 K C 2.529 179.134 176.600 0.009 0.000 1.056 272 K CA 2.554 58.856 56.287 0.025 0.000 0.971 272 K CB -1.300 31.214 32.500 0.023 0.000 0.731 272 K HN 0.780 nan 8.250 nan 0.000 0.450 273 T N 0.605 115.164 114.554 0.010 0.000 2.759 273 T HA -0.150 4.200 4.350 0.000 0.000 0.269 273 T C 1.936 176.631 174.700 -0.008 0.000 1.042 273 T CA 1.291 63.386 62.100 -0.008 0.000 1.140 273 T CB -0.342 68.522 68.868 -0.007 0.000 0.864 273 T HN 0.155 nan 8.240 nan 0.000 0.455 274 L N 1.932 123.164 121.223 0.015 0.000 2.083 274 L HA 0.243 4.583 4.340 0.000 0.000 0.209 274 L C 2.544 179.409 176.870 -0.007 0.000 1.083 274 L CA 2.084 56.932 54.840 0.014 0.000 0.752 274 L CB -1.039 41.041 42.059 0.036 0.000 0.899 274 L HN 0.442 nan 8.230 nan 0.000 0.433 275 G N -2.024 106.772 108.800 -0.007 0.000 2.838 275 G HA2 0.226 4.187 3.960 0.000 0.000 0.210 275 G HA3 0.226 4.187 3.960 0.000 0.000 0.210 275 G C 0.893 175.780 174.900 -0.022 0.000 1.153 275 G CA 0.324 45.415 45.100 -0.015 0.000 0.778 275 G HN 0.829 nan 8.290 nan 0.000 0.539 276 A N -0.976 121.827 122.820 -0.028 0.000 2.610 276 A HA 0.236 4.556 4.320 0.000 0.000 0.299 276 A C 1.894 179.460 177.584 -0.031 0.000 1.487 276 A CA 1.752 53.764 52.037 -0.042 0.000 0.743 276 A CB -1.515 17.450 19.000 -0.059 0.000 1.070 276 A HN 2.271 nan 8.150 nan 0.000 0.439 277 G N -2.373 106.416 108.800 -0.018 0.000 2.279 277 G HA2 -0.113 3.847 3.960 0.000 0.000 0.223 277 G HA3 -0.113 3.847 3.960 0.000 0.000 0.223 277 G C 0.229 175.136 174.900 0.011 0.000 1.015 277 G CA 0.289 45.390 45.100 0.001 0.000 0.621 277 G HN 1.674 nan 8.290 nan 0.000 0.506 278 L N 2.245 123.469 121.223 0.002 0.000 2.379 278 L HA 0.598 4.938 4.340 0.000 0.000 0.269 278 L C -1.949 174.914 176.870 -0.011 0.000 1.084 278 L CA -1.446 53.391 54.840 -0.004 0.000 0.802 278 L CB 1.054 43.108 42.059 -0.008 0.000 1.175 278 L HN -0.046 nan 8.230 nan 0.000 0.448 279 P HA 0.336 nan 4.420 nan 0.000 0.280 279 P C -1.168 176.118 177.300 -0.022 0.000 1.386 279 P CA -0.167 62.919 63.100 -0.023 0.000 0.899 279 P CB 0.664 32.336 31.700 -0.046 0.000 1.098 280 L N 2.984 124.204 121.223 -0.006 0.000 2.482 280 L HA 0.862 5.202 4.340 0.000 0.000 0.263 280 L C -1.468 175.408 176.870 0.010 0.000 0.957 280 L CA -0.641 54.198 54.840 -0.002 0.000 0.836 280 L CB 2.004 44.056 42.059 -0.012 0.000 1.324 280 L HN 0.392 nan 8.230 nan 0.000 0.406 281 A N 3.149 125.977 122.820 0.014 0.000 2.583 281 A HA 1.091 5.411 4.320 0.000 0.000 0.289 281 A C -1.440 176.145 177.584 0.001 0.000 1.151 281 A CA -0.098 51.948 52.037 0.015 0.000 0.695 281 A CB 1.607 20.620 19.000 0.022 0.000 1.290 281 A HN 1.910 nan 8.150 nan 0.000 0.419 282 A N -0.529 122.286 122.820 -0.010 0.000 2.586 282 A HA 0.714 5.035 4.320 0.000 0.000 0.291 282 A C -1.195 176.358 177.584 -0.052 0.000 1.062 282 A CA 0.177 52.196 52.037 -0.030 0.000 0.666 282 A CB 0.551 19.539 19.000 -0.021 0.000 1.281 282 A HN 2.250 nan 8.150 nan 0.000 0.421 283 I N -1.191 119.336 120.570 -0.072 0.000 2.608 283 I HA 0.886 5.056 4.170 0.000 0.000 0.295 283 I C -1.322 174.741 176.117 -0.091 0.000 1.049 283 I CA -1.081 60.164 61.300 -0.091 0.000 1.063 283 I CB 2.198 40.128 38.000 -0.116 0.000 1.248 283 I HN 0.325 nan 8.210 nan 0.000 0.424 284 V N 4.319 124.168 119.914 -0.107 0.000 2.487 284 V HA 0.661 4.781 4.120 0.000 0.000 0.298 284 V C -0.003 176.025 176.094 -0.111 0.000 1.028 284 V CA -0.249 61.985 62.300 -0.109 0.000 0.860 284 V CB 1.465 33.206 31.823 -0.137 0.000 0.991 284 V HN 0.963 nan 8.190 nan 0.000 0.427 285 T N 1.949 116.443 114.554 -0.100 0.000 2.831 285 T HA 0.583 4.933 4.350 0.000 0.000 0.287 285 T C 0.035 174.687 174.700 -0.079 0.000 1.070 285 T CA 0.046 62.089 62.100 -0.096 0.000 1.010 285 T CB 1.974 70.775 68.868 -0.113 0.000 1.264 285 T HN 1.010 nan 8.240 nan 0.000 0.532 286 S N 0.914 116.572 115.700 -0.070 0.000 2.603 286 S HA 0.548 5.018 4.470 0.000 0.000 0.268 286 S C 1.688 176.258 174.600 -0.050 0.000 1.317 286 S CA -0.029 58.138 58.200 -0.055 0.000 1.012 286 S CB 0.789 63.961 63.200 -0.048 0.000 0.926 286 S HN 0.973 nan 8.310 nan 0.000 0.539 287 A N 2.107 124.904 122.820 -0.039 0.000 1.933 287 A HA 0.134 4.455 4.320 0.000 0.000 0.218 287 A C 2.393 179.961 177.584 -0.027 0.000 1.175 287 A CA 1.817 53.834 52.037 -0.032 0.000 0.628 287 A CB -1.673 17.313 19.000 -0.024 0.000 0.814 287 A HN 1.367 nan 8.150 nan 0.000 0.444 288 A N -0.073 122.732 122.820 -0.026 0.000 1.877 288 A HA -0.086 4.234 4.320 0.000 0.000 0.216 288 A C 2.125 179.693 177.584 -0.026 0.000 1.186 288 A CA 1.556 53.580 52.037 -0.021 0.000 0.620 288 A CB -0.592 18.396 19.000 -0.021 0.000 0.822 288 A HN 0.489 nan 8.150 nan 0.000 0.443 289 I N -0.680 119.865 120.570 -0.042 0.000 2.226 289 I HA -0.220 3.951 4.170 0.000 0.000 0.245 289 I C 2.652 178.727 176.117 -0.070 0.000 1.100 289 I CA 1.524 62.789 61.300 -0.058 0.000 1.374 289 I CB -0.252 37.703 38.000 -0.076 0.000 1.057 289 I HN 0.406 nan 8.210 nan 0.000 0.413 290 E N 1.005 121.164 120.200 -0.069 0.000 2.077 290 E HA -0.240 4.111 4.350 0.000 0.000 0.193 290 E C 1.999 178.603 176.600 0.006 0.000 0.989 290 E CA 1.335 57.698 56.400 -0.063 0.000 0.800 290 E CB 0.014 29.680 29.700 -0.057 0.000 0.746 290 E HN 0.410 nan 8.360 nan 0.000 0.452 291 E N 0.412 120.622 120.200 0.017 0.000 2.058 291 E HA -0.224 4.126 4.350 0.000 0.000 0.194 291 E C 2.231 178.879 176.600 0.080 0.000 0.997 291 E CA 1.091 57.529 56.400 0.065 0.000 0.801 291 E CB -0.324 29.398 29.700 0.037 0.000 0.746 291 E HN 0.069 nan 8.360 nan 0.000 0.450 292 R N 1.055 121.574 120.500 0.031 0.000 2.075 292 R HA -0.035 4.305 4.340 0.000 0.000 0.232 292 R C 2.141 178.455 176.300 0.024 0.000 1.126 292 R CA 1.663 57.775 56.100 0.019 0.000 0.963 292 R CB -0.743 29.557 30.300 0.000 0.000 0.858 292 R HN 0.131 nan 8.270 nan 0.000 0.435 293 A N -0.405 122.420 122.820 0.008 0.000 1.908 293 A HA -0.237 4.083 4.320 0.000 0.000 0.218 293 A C 2.115 179.769 177.584 0.117 0.000 1.181 293 A CA 2.002 54.046 52.037 0.012 0.000 0.627 293 A CB -0.986 17.908 19.000 -0.176 0.000 0.818 293 A HN 0.639 nan 8.150 nan 0.000 0.445 294 H N -0.157 118.940 119.070 0.045 0.000 2.293 294 H HA -0.077 4.479 4.556 0.001 0.000 0.300 294 H C 1.944 177.311 175.328 0.064 0.000 1.082 294 H CA 2.085 58.179 56.048 0.077 0.000 1.308 294 H CB -0.273 29.519 29.762 0.050 0.000 1.375 294 H HN 0.602 nan 8.280 nan 0.000 0.495 295 E N -0.660 119.475 120.200 -0.108 0.000 2.130 295 E HA -0.146 4.204 4.350 0.000 0.000 0.196 295 E C 1.407 177.940 176.600 -0.110 0.000 0.998 295 E CA 0.887 57.209 56.400 -0.130 0.000 0.806 295 E CB 0.013 29.697 29.700 -0.027 0.000 0.738 295 E HN 0.281 nan 8.360 nan 0.000 0.459 296 L N -0.557 120.638 121.223 -0.046 0.000 2.599 296 L HA 0.108 4.448 4.340 0.000 0.000 0.230 296 L C 1.264 178.135 176.870 0.002 0.000 1.141 296 L CA 1.201 56.037 54.840 -0.007 0.000 0.877 296 L CB -0.355 41.724 42.059 0.033 0.000 1.009 296 L HN 0.242 nan 8.230 nan 0.000 0.447 297 G N -1.411 107.366 108.800 -0.039 0.000 2.149 297 G HA2 -0.370 3.590 3.960 0.000 0.000 0.235 297 G HA3 -0.370 3.590 3.960 0.000 0.000 0.235 297 G C 0.240 175.195 174.900 0.091 0.000 1.018 297 G CA 0.084 45.175 45.100 -0.014 0.000 0.728 297 G HN 0.293 nan 8.290 nan 0.000 0.508 298 Y N -0.548 119.769 120.300 0.028 0.000 2.904 298 Y HA 0.332 4.882 4.550 0.000 0.000 0.336 298 Y C 0.332 176.296 175.900 0.107 0.000 1.263 298 Y CA 0.557 58.704 58.100 0.078 0.000 1.547 298 Y CB 0.410 38.930 38.460 0.100 0.000 1.272 298 Y HN 0.615 nan 8.280 nan 0.000 0.596 299 L N 7.958 128.864 121.223 -0.529 0.000 2.409 299 L HA 0.515 4.855 4.340 0.000 0.000 0.272 299 L C -1.947 174.627 176.870 -0.493 0.000 0.980 299 L CA -0.610 54.004 54.840 -0.378 0.000 0.826 299 L CB 1.367 43.315 42.059 -0.185 0.000 1.268 299 L HN 0.643 nan 8.230 nan 0.000 0.407 300 F N 5.412 125.130 119.950 -0.387 0.000 2.883 300 F HA 0.312 4.839 4.527 0.000 0.000 0.383 300 F C -1.704 174.070 175.800 -0.043 0.000 1.342 300 F CA -0.368 57.500 58.000 -0.219 0.000 1.150 300 F CB 0.433 39.316 39.000 -0.195 0.000 2.189 300 F HN 0.482 nan 8.300 nan 0.000 0.593 301 Y N 2.913 123.092 120.300 -0.202 0.000 2.404 301 Y HA 0.483 5.033 4.550 0.001 0.000 0.344 301 Y C 0.494 176.288 175.900 -0.176 0.000 0.970 301 Y CA -0.122 57.893 58.100 -0.141 0.000 1.180 301 Y CB 0.620 38.992 38.460 -0.147 0.000 1.138 301 Y HN 0.434 nan 8.280 nan 0.000 0.510 302 T N -0.427 113.974 114.554 -0.255 0.000 2.883 302 T HA 0.287 4.638 4.350 0.000 0.000 0.284 302 T C 0.946 175.486 174.700 -0.267 0.000 1.041 302 T CA -0.352 61.641 62.100 -0.179 0.000 1.007 302 T CB 1.454 70.289 68.868 -0.055 0.000 1.220 302 T HN 0.419 nan 8.240 nan 0.000 0.552 303 T N 0.449 114.879 114.554 -0.206 0.000 2.737 303 T HA -0.063 4.288 4.350 0.000 0.000 0.265 303 T C 1.177 175.667 174.700 -0.351 0.000 1.038 303 T CA 1.280 63.189 62.100 -0.317 0.000 1.144 303 T CB -0.435 68.125 68.868 -0.514 0.000 0.866 303 T HN 0.698 nan 8.240 nan 0.000 0.434 304 H N -0.181 118.903 119.070 0.023 0.000 2.520 304 H HA 0.414 4.970 4.556 0.000 0.000 0.284 304 H C 0.572 175.892 175.328 -0.013 0.000 1.037 304 H CA -0.349 55.730 56.048 0.050 0.000 1.168 304 H CB -0.334 29.464 29.762 0.061 0.000 1.497 304 H HN 0.160 nan 8.280 nan 0.000 0.547 305 V N 1.842 121.751 119.914 -0.008 0.000 2.673 305 V HA -0.071 4.050 4.120 0.000 0.000 0.303 305 V C 0.476 176.528 176.094 -0.070 0.000 1.046 305 V CA 0.694 62.975 62.300 -0.031 0.000 1.126 305 V CB 0.559 32.328 31.823 -0.091 0.000 0.934 305 V HN 0.672 nan 8.190 nan 0.000 0.487 306 S N 3.052 118.731 115.700 -0.035 0.000 3.635 306 S HA -0.165 4.305 4.470 0.000 0.000 0.328 306 S C -0.125 174.451 174.600 -0.041 0.000 1.135 306 S CA 1.000 59.171 58.200 -0.047 0.000 0.942 306 S CB -1.390 61.763 63.200 -0.079 0.000 0.930 306 S HN 0.986 nan 8.310 nan 0.000 0.512 307 D N 1.348 121.750 120.400 0.003 0.000 2.308 307 D HA 0.307 4.948 4.640 0.000 0.000 0.251 307 D C -0.721 175.585 176.300 0.011 0.000 1.127 307 D CA -1.863 52.156 54.000 0.031 0.000 0.876 307 D CB 0.955 41.850 40.800 0.158 0.000 1.176 307 D HN 0.108 nan 8.370 nan 0.000 0.446 308 P HA -0.170 nan 4.420 nan 0.000 0.215 308 P C 1.616 178.865 177.300 -0.087 0.000 1.153 308 P CA 0.466 63.555 63.100 -0.019 0.000 0.853 308 P CB 0.329 32.062 31.700 0.056 0.000 0.788 309 L N 1.154 122.373 121.223 -0.006 0.000 1.970 309 L HA -0.054 4.287 4.340 0.000 0.000 0.212 309 L C -0.800 176.016 176.870 -0.090 0.000 1.071 309 L CA 2.822 57.643 54.840 -0.032 0.000 0.751 309 L CB -2.616 39.484 42.059 0.068 0.000 0.889 309 L HN -0.021 nan 8.230 nan 0.000 0.432 310 P HA -0.134 nan 4.420 nan 0.000 0.215 310 P C 1.634 178.885 177.300 -0.080 0.000 1.153 310 P CA 2.170 65.240 63.100 -0.051 0.000 0.853 310 P CB -0.296 31.387 31.700 -0.028 0.000 0.788 311 A N 0.156 122.922 122.820 -0.091 0.000 1.908 311 A HA -0.145 4.175 4.320 0.000 0.000 0.218 311 A C 2.351 179.832 177.584 -0.170 0.000 1.181 311 A CA 2.242 54.216 52.037 -0.104 0.000 0.627 311 A CB -1.624 17.323 19.000 -0.089 0.000 0.818 311 A HN 0.209 nan 8.150 nan 0.000 0.445 312 A N -0.752 121.884 122.820 -0.306 0.000 1.969 312 A HA 0.054 4.374 4.320 0.000 0.000 0.218 312 A C 2.199 179.638 177.584 -0.242 0.000 1.169 312 A CA 1.649 53.412 52.037 -0.456 0.000 0.635 312 A CB -0.734 17.543 19.000 -1.205 0.000 0.810 312 A HN 0.363 nan 8.150 nan 0.000 0.445 313 V N -0.211 119.606 119.914 -0.163 0.000 2.358 313 V HA -0.151 3.969 4.120 0.000 0.000 0.246 313 V C 2.821 178.874 176.094 -0.069 0.000 1.047 313 V CA 1.888 64.139 62.300 -0.082 0.000 1.035 313 V CB -1.341 30.451 31.823 -0.051 0.000 0.658 313 V HN 0.594 nan 8.190 nan 0.000 0.452 314 G N -0.187 108.573 108.800 -0.068 0.000 2.446 314 G HA2 -0.262 3.698 3.960 0.000 0.000 0.217 314 G HA3 -0.262 3.698 3.960 0.000 0.000 0.217 314 G C 1.573 176.445 174.900 -0.046 0.000 1.168 314 G CA 1.150 46.221 45.100 -0.047 0.000 0.771 314 G HN 0.400 nan 8.290 nan 0.000 0.551 315 L N 0.717 121.905 121.223 -0.058 0.000 2.012 315 L HA -0.006 4.334 4.340 0.000 0.000 0.210 315 L C 2.751 179.599 176.870 -0.038 0.000 1.073 315 L CA 2.126 56.940 54.840 -0.044 0.000 0.748 315 L CB -0.617 41.409 42.059 -0.054 0.000 0.891 315 L HN 0.215 nan 8.230 nan 0.000 0.431 316 R N -0.719 119.755 120.500 -0.044 0.000 2.081 316 R HA -0.114 4.227 4.340 0.000 0.000 0.235 316 R C 2.070 178.333 176.300 -0.061 0.000 1.131 316 R CA 2.072 58.151 56.100 -0.035 0.000 0.960 316 R CB -1.109 29.179 30.300 -0.021 0.000 0.856 316 R HN 0.306 nan 8.270 nan 0.000 0.436 317 V N 0.860 120.731 119.914 -0.073 0.000 2.343 317 V HA -0.238 3.882 4.120 0.000 0.000 0.247 317 V C 2.384 178.431 176.094 -0.080 0.000 1.051 317 V CA 1.922 64.164 62.300 -0.096 0.000 1.036 317 V CB -0.489 31.286 31.823 -0.081 0.000 0.654 317 V HN 0.290 nan 8.190 nan 0.000 0.451 318 L N -0.360 120.832 121.223 -0.053 0.000 2.046 318 L HA -0.180 4.160 4.340 0.000 0.000 0.208 318 L C 2.431 179.275 176.870 -0.043 0.000 1.077 318 L CA 1.582 56.396 54.840 -0.043 0.000 0.747 318 L CB -0.781 41.267 42.059 -0.017 0.000 0.896 318 L HN 0.342 nan 8.230 nan 0.000 0.432 319 D N -0.193 120.186 120.400 -0.036 0.000 2.092 319 D HA -0.194 4.446 4.640 0.000 0.000 0.193 319 D C 2.211 178.491 176.300 -0.034 0.000 0.994 319 D CA 1.771 55.756 54.000 -0.025 0.000 0.828 319 D CB -0.476 40.316 40.800 -0.013 0.000 0.963 319 D HN 0.261 nan 8.370 nan 0.000 0.450 320 V N 0.181 120.062 119.914 -0.055 0.000 2.343 320 V HA -0.203 3.918 4.120 0.000 0.000 0.247 320 V C 2.242 178.302 176.094 -0.058 0.000 1.051 320 V CA 1.512 63.776 62.300 -0.060 0.000 1.036 320 V CB -0.588 31.171 31.823 -0.107 0.000 0.654 320 V HN 0.049 nan 8.190 nan 0.000 0.451 321 V N 0.414 120.282 119.914 -0.076 0.000 2.287 321 V HA -0.316 3.804 4.120 0.000 0.000 0.248 321 V C 2.779 178.839 176.094 -0.058 0.000 1.053 321 V CA 2.780 65.037 62.300 -0.073 0.000 1.027 321 V CB -0.870 30.898 31.823 -0.092 0.000 0.646 321 V HN 0.640 nan 8.190 nan 0.000 0.447 322 Q N -0.413 119.357 119.800 -0.051 0.000 2.016 322 Q HA -0.231 4.110 4.340 0.000 0.000 0.200 322 Q C 2.460 178.445 176.000 -0.025 0.000 0.978 322 Q CA 1.990 57.769 55.803 -0.039 0.000 0.833 322 Q CB -0.316 28.404 28.738 -0.031 0.000 0.895 322 Q HN 0.650 nan 8.270 nan 0.000 0.427 323 R N 0.955 121.444 120.500 -0.017 0.000 2.083 323 R HA -0.163 4.177 4.340 0.000 0.000 0.237 323 R C 0.606 176.905 176.300 -0.002 0.000 1.137 323 R CA 2.032 58.129 56.100 -0.005 0.000 0.951 323 R CB -0.144 30.158 30.300 0.003 0.000 0.851 323 R HN 0.114 nan 8.270 nan 0.000 0.434 324 D N 0.102 120.501 120.400 -0.002 0.000 2.323 324 D HA 0.127 4.767 4.640 0.000 0.000 0.239 324 D C 0.337 176.633 176.300 -0.006 0.000 1.129 324 D CA 0.927 54.929 54.000 0.004 0.000 0.865 324 D CB 0.228 41.040 40.800 0.020 0.000 0.913 324 D HN 0.579 nan 8.370 nan 0.000 0.517 325 G N 1.362 110.152 108.800 -0.016 0.000 2.421 325 G HA2 -0.314 3.646 3.960 0.000 0.000 0.300 325 G HA3 -0.314 3.646 3.960 0.000 0.000 0.300 325 G C 1.024 175.907 174.900 -0.028 0.000 0.974 325 G CA 0.217 45.303 45.100 -0.023 0.000 1.062 325 G HN 0.444 nan 8.290 nan 0.000 0.514 326 L N -0.931 120.270 121.223 -0.037 0.000 2.376 326 L HA -0.061 4.279 4.340 0.000 0.000 0.219 326 L C 2.793 179.630 176.870 -0.056 0.000 1.133 326 L CA 0.615 55.430 54.840 -0.042 0.000 0.816 326 L CB -0.343 41.689 42.059 -0.046 0.000 0.933 326 L HN 0.341 nan 8.230 nan 0.000 0.449 327 V N 0.189 120.064 119.914 -0.066 0.000 2.307 327 V HA -0.253 3.867 4.120 0.000 0.000 0.245 327 V C 2.780 178.841 176.094 -0.055 0.000 1.045 327 V CA 1.821 64.076 62.300 -0.075 0.000 1.024 327 V CB -0.781 30.987 31.823 -0.091 0.000 0.651 327 V HN 0.479 nan 8.190 nan 0.000 0.449 328 A N 0.101 122.895 122.820 -0.042 0.000 1.877 328 A HA -0.257 4.063 4.320 0.000 0.000 0.216 328 A C 2.368 179.934 177.584 -0.029 0.000 1.186 328 A CA 2.053 54.071 52.037 -0.031 0.000 0.620 328 A CB -0.592 18.394 19.000 -0.023 0.000 0.822 328 A HN 0.470 nan 8.150 nan 0.000 0.443 329 R N -0.297 120.185 120.500 -0.029 0.000 2.117 329 R HA -0.172 4.169 4.340 0.000 0.000 0.243 329 R C 2.222 178.501 176.300 -0.035 0.000 1.143 329 R CA 1.615 57.699 56.100 -0.026 0.000 0.968 329 R CB -0.453 29.834 30.300 -0.023 0.000 0.863 329 R HN 0.465 nan 8.270 nan 0.000 0.444 330 A N 0.817 123.610 122.820 -0.045 0.000 1.940 330 A HA -0.195 4.125 4.320 0.000 0.000 0.219 330 A C 1.744 179.299 177.584 -0.047 0.000 1.176 330 A CA 1.741 53.745 52.037 -0.054 0.000 0.631 330 A CB -0.537 18.426 19.000 -0.062 0.000 0.814 330 A HN 0.429 nan 8.150 nan 0.000 0.446 331 N N -0.095 118.583 118.700 -0.038 0.000 2.171 331 N HA -0.081 4.659 4.740 0.000 0.000 0.184 331 N C 1.787 177.282 175.510 -0.025 0.000 1.021 331 N CA 1.509 54.541 53.050 -0.030 0.000 0.854 331 N CB -0.344 38.129 38.487 -0.024 0.000 0.994 331 N HN 0.283 nan 8.380 nan 0.000 0.426 332 V N 2.144 122.045 119.914 -0.022 0.000 2.270 332 V HA -0.172 3.948 4.120 0.000 0.000 0.245 332 V C 2.446 178.530 176.094 -0.018 0.000 1.043 332 V CA 1.273 63.564 62.300 -0.016 0.000 1.014 332 V CB -0.344 31.472 31.823 -0.011 0.000 0.645 332 V HN 0.253 nan 8.190 nan 0.000 0.447 333 M N 0.309 119.894 119.600 -0.025 0.000 2.229 333 M HA -0.039 4.441 4.480 0.000 0.000 0.264 333 M C 2.308 178.584 176.300 -0.041 0.000 1.063 333 M CA 1.867 57.149 55.300 -0.029 0.000 1.114 333 M CB -1.630 30.948 32.600 -0.037 0.000 1.387 333 M HN 0.467 nan 8.290 nan 0.000 0.420 334 G N 0.314 109.085 108.800 -0.048 0.000 2.408 334 G HA2 -0.258 3.703 3.960 0.000 0.000 0.217 334 G HA3 -0.258 3.703 3.960 0.000 0.000 0.217 334 G C 1.184 176.063 174.900 -0.035 0.000 1.150 334 G CA 1.323 46.391 45.100 -0.053 0.000 0.776 334 G HN 0.486 nan 8.290 nan 0.000 0.542 335 D N -0.055 120.330 120.400 -0.024 0.000 2.097 335 D HA -0.102 4.539 4.640 0.000 0.000 0.195 335 D C 2.379 178.674 176.300 -0.009 0.000 0.989 335 D CA 0.926 54.918 54.000 -0.014 0.000 0.827 335 D CB -0.171 40.623 40.800 -0.010 0.000 0.966 335 D HN 0.232 nan 8.370 nan 0.000 0.456 336 R N -0.060 120.435 120.500 -0.008 0.000 2.073 336 R HA -0.097 4.243 4.340 0.000 0.000 0.234 336 R C 2.503 178.807 176.300 0.005 0.000 1.134 336 R CA 0.950 57.051 56.100 0.002 0.000 0.952 336 R CB -0.539 29.764 30.300 0.006 0.000 0.850 336 R HN 0.312 nan 8.270 nan 0.000 0.433 337 L N 0.624 121.843 121.223 -0.006 0.000 2.017 337 L HA -0.217 4.123 4.340 0.000 0.000 0.208 337 L C 2.824 179.694 176.870 -0.001 0.000 1.073 337 L CA 1.552 56.391 54.840 -0.002 0.000 0.745 337 L CB -0.391 41.636 42.059 -0.054 0.000 0.894 337 L HN 0.300 nan 8.230 nan 0.000 0.432 338 R N -0.187 120.305 120.500 -0.013 0.000 2.091 338 R HA -0.199 4.141 4.340 0.000 0.000 0.238 338 R C 2.376 178.677 176.300 0.001 0.000 1.136 338 R CA 1.532 57.627 56.100 -0.009 0.000 0.959 338 R CB -0.095 30.197 30.300 -0.013 0.000 0.856 338 R HN 0.361 nan 8.270 nan 0.000 0.437 339 R N -0.841 119.660 120.500 0.003 0.000 2.075 339 R HA -0.067 4.273 4.340 0.000 0.000 0.232 339 R C 2.369 178.676 176.300 0.011 0.000 1.126 339 R CA 1.265 57.368 56.100 0.006 0.000 0.963 339 R CB -0.478 29.825 30.300 0.005 0.000 0.858 339 R HN 0.372 nan 8.270 nan 0.000 0.435 340 G N 1.401 110.211 108.800 0.017 0.000 2.421 340 G HA2 -0.232 3.728 3.960 0.000 0.000 0.216 340 G HA3 -0.232 3.728 3.960 0.000 0.000 0.216 340 G C 1.467 176.385 174.900 0.029 0.000 1.171 340 G CA 0.493 45.608 45.100 0.026 0.000 0.775 340 G HN 0.124 nan 8.290 nan 0.000 0.543 341 L N -0.101 121.138 121.223 0.027 0.000 2.083 341 L HA -0.034 4.307 4.340 0.000 0.000 0.209 341 L C 2.872 179.759 176.870 0.027 0.000 1.083 341 L CA 0.574 55.430 54.840 0.027 0.000 0.752 341 L CB -0.400 41.668 42.059 0.015 0.000 0.899 341 L HN 0.185 nan 8.230 nan 0.000 0.433 342 L N -0.676 120.557 121.223 0.017 0.000 2.141 342 L HA -0.200 4.141 4.340 0.000 0.000 0.209 342 L C 2.141 179.019 176.870 0.015 0.000 1.094 342 L CA 0.887 55.735 54.840 0.014 0.000 0.763 342 L CB -0.600 41.464 42.059 0.007 0.000 0.908 342 L HN 0.241 nan 8.230 nan 0.000 0.437 343 D N 0.149 120.556 120.400 0.013 0.000 2.117 343 D HA -0.128 4.513 4.640 0.000 0.000 0.198 343 D C 2.421 178.721 176.300 0.001 0.000 0.982 343 D CA 1.094 55.094 54.000 -0.000 0.000 0.828 343 D CB -0.124 40.675 40.800 -0.003 0.000 0.967 343 D HN 0.254 nan 8.370 nan 0.000 0.464 344 L N 0.461 121.711 121.223 0.045 0.000 2.046 344 L HA -0.122 4.218 4.340 0.000 0.000 0.208 344 L C 2.515 179.472 176.870 0.145 0.000 1.077 344 L CA 0.865 55.780 54.840 0.126 0.000 0.747 344 L CB -0.377 41.796 42.059 0.190 0.000 0.896 344 L HN 0.077 nan 8.230 nan 0.000 0.432 345 M N -0.573 119.086 119.600 0.098 0.000 2.446 345 M HA -0.201 4.279 4.480 0.000 0.000 0.263 345 M C 1.895 178.224 176.300 0.048 0.000 1.066 345 M CA 1.602 56.956 55.300 0.091 0.000 1.087 345 M CB -0.016 32.616 32.600 0.054 0.000 1.406 345 M HN 0.202 nan 8.290 nan 0.000 0.459 346 E N -0.022 120.179 120.200 0.002 0.000 2.112 346 E HA -0.138 4.212 4.350 0.000 0.000 0.190 346 E C 1.986 178.530 176.600 -0.092 0.000 0.979 346 E CA 0.762 57.142 56.400 -0.033 0.000 0.814 346 E CB 0.191 29.866 29.700 -0.040 0.000 0.762 346 E HN 0.470 nan 8.360 nan 0.000 0.460 347 R N -0.661 119.727 120.500 -0.187 0.000 2.090 347 R HA 0.022 4.362 4.340 0.000 0.000 0.228 347 R C 0.016 175.992 176.300 -0.540 0.000 1.110 347 R CA 0.905 56.732 56.100 -0.455 0.000 0.973 347 R CB 0.205 30.058 30.300 -0.745 0.000 0.869 347 R HN -0.036 nan 8.270 nan 0.000 0.440 348 F N -0.868 119.083 119.950 0.002 0.000 2.477 348 F HA 0.195 4.723 4.527 0.000 0.000 0.335 348 F C 0.579 176.388 175.800 0.014 0.000 1.130 348 F CA -0.936 57.068 58.000 0.007 0.000 0.948 348 F CB 1.961 40.963 39.000 0.004 0.000 1.154 348 F HN -0.156 nan 8.300 nan 0.000 0.439 349 D N 1.171 121.691 120.400 0.200 0.000 2.263 349 D HA -0.159 4.482 4.640 0.000 0.000 0.208 349 D C 2.081 178.454 176.300 0.122 0.000 0.971 349 D CA 1.302 55.378 54.000 0.126 0.000 0.867 349 D CB 0.159 41.014 40.800 0.093 0.000 0.929 349 D HN 0.660 nan 8.370 nan 0.000 0.492 350 C N -0.222 119.161 119.300 0.138 0.000 2.472 350 C HA 0.168 4.628 4.460 0.000 0.000 0.278 350 C C 1.069 176.114 174.990 0.092 0.000 1.447 350 C CA -0.743 58.330 59.018 0.092 0.000 1.773 350 C CB -1.429 26.340 27.740 0.048 0.000 1.793 350 C HN 0.090 nan 8.230 nan 0.000 0.544 351 I N 2.289 122.925 120.570 0.111 0.000 2.322 351 I HA 0.315 4.485 4.170 0.000 0.000 0.292 351 I C 1.503 177.663 176.117 0.072 0.000 1.060 351 I CA 0.357 61.711 61.300 0.089 0.000 1.309 351 I CB 0.936 38.994 38.000 0.098 0.000 1.415 351 I HN 0.388 nan 8.210 nan 0.000 0.492 352 G N 4.235 113.069 108.800 0.058 0.000 2.595 352 G HA2 0.002 3.962 3.960 0.000 0.000 0.213 352 G HA3 0.002 3.962 3.960 0.000 0.000 0.213 352 G C 0.012 174.843 174.900 -0.115 0.000 1.141 352 G CA 0.362 45.507 45.100 0.075 0.000 0.806 352 G HN 0.571 nan 8.290 nan 0.000 0.530 353 D N -1.650 118.606 120.400 -0.239 0.000 2.663 353 D HA 0.456 5.096 4.640 0.000 0.000 0.233 353 D C -1.440 174.753 176.300 -0.179 0.000 1.240 353 D CA -0.319 53.460 54.000 -0.367 0.000 0.774 353 D CB 2.245 42.463 40.800 -0.971 0.000 1.443 353 D HN -0.104 nan 8.370 nan 0.000 0.441 354 V N 3.430 123.270 119.914 -0.123 0.000 2.482 354 V HA 0.646 4.766 4.120 0.000 0.000 0.295 354 V C -0.127 175.935 176.094 -0.053 0.000 1.026 354 V CA -0.575 61.690 62.300 -0.059 0.000 0.856 354 V CB 1.413 33.219 31.823 -0.028 0.000 1.001 354 V HN 0.628 nan 8.190 nan 0.000 0.424 355 R N 3.298 123.774 120.500 -0.040 0.000 2.947 355 R HA 0.999 5.339 4.340 0.000 0.000 0.253 355 R C 0.132 176.421 176.300 -0.019 0.000 1.208 355 R CA -0.304 55.783 56.100 -0.023 0.000 1.012 355 R CB 1.965 32.260 30.300 -0.009 0.000 1.267 355 R HN 1.231 nan 8.270 nan 0.000 0.473 356 G N 0.041 108.832 108.800 -0.015 0.000 2.362 356 G HA2 0.053 4.014 3.960 0.000 0.000 0.517 356 G HA3 0.053 4.014 3.960 0.000 0.000 0.517 356 G C -1.579 173.310 174.900 -0.020 0.000 1.256 356 G CA -0.377 44.710 45.100 -0.022 0.000 1.027 356 G HN 0.751 nan 8.290 nan 0.000 0.491 357 R N -0.811 119.673 120.500 -0.025 0.000 2.604 357 R HA 0.589 4.929 4.340 0.000 0.000 0.270 357 R C 1.086 177.366 176.300 -0.034 0.000 1.052 357 R CA 1.011 57.097 56.100 -0.022 0.000 0.902 357 R CB 1.299 31.591 30.300 -0.013 0.000 1.233 357 R HN 2.690 nan 8.270 nan 0.000 0.455 358 G N 2.582 111.362 108.800 -0.034 0.000 2.660 358 G HA2 -0.351 3.609 3.960 0.000 0.000 0.321 358 G HA3 -0.351 3.609 3.960 0.000 0.000 0.321 358 G C 0.169 175.031 174.900 -0.063 0.000 1.246 358 G CA 0.565 45.638 45.100 -0.045 0.000 1.000 358 G HN 0.491 nan 8.290 nan 0.000 0.550 359 L N 0.138 121.315 121.223 -0.077 0.000 2.912 359 L HA 0.474 4.815 4.340 0.000 0.000 0.240 359 L C 0.075 176.881 176.870 -0.108 0.000 1.262 359 L CA -0.217 54.558 54.840 -0.108 0.000 1.058 359 L CB 0.297 42.282 42.059 -0.123 0.000 1.383 359 L HN 0.320 nan 8.230 nan 0.000 0.512 360 L N 1.313 122.488 121.223 -0.079 0.000 2.433 360 L HA 0.505 4.845 4.340 0.000 0.000 0.256 360 L C -0.821 176.015 176.870 -0.056 0.000 1.063 360 L CA -0.051 54.749 54.840 -0.066 0.000 0.922 360 L CB 0.867 42.899 42.059 -0.046 0.000 1.238 360 L HN -0.010 nan 8.230 nan 0.000 0.466 361 L N 2.473 123.658 121.223 -0.063 0.000 2.333 361 L HA 0.956 5.296 4.340 0.000 0.000 0.269 361 L C 0.412 177.271 176.870 -0.018 0.000 1.010 361 L CA -0.737 54.078 54.840 -0.043 0.000 0.818 361 L CB 2.179 44.207 42.059 -0.052 0.000 1.306 361 L HN 0.591 nan 8.230 nan 0.000 0.430 362 G N 0.531 109.327 108.800 -0.006 0.000 2.591 362 G HA2 0.631 4.591 3.960 0.000 0.000 0.306 362 G HA3 0.631 4.591 3.960 0.000 0.000 0.306 362 G C -1.671 173.249 174.900 0.032 0.000 1.334 362 G CA -0.357 44.755 45.100 0.020 0.000 0.981 362 G HN 0.262 nan 8.290 nan 0.000 0.491 363 V N 1.518 121.489 119.914 0.095 0.000 2.409 363 V HA 0.351 4.471 4.120 0.000 0.000 0.290 363 V C -0.147 176.025 176.094 0.129 0.000 1.017 363 V CA -0.737 61.623 62.300 0.100 0.000 0.841 363 V CB 1.440 33.339 31.823 0.126 0.000 1.003 363 V HN 0.864 nan 8.190 nan 0.000 0.426 364 E N 5.164 125.385 120.200 0.034 0.000 2.130 364 E HA 0.357 4.707 4.350 0.000 0.000 0.284 364 E C -0.665 175.985 176.600 0.083 0.000 1.018 364 E CA -0.705 55.724 56.400 0.048 0.000 0.817 364 E CB 0.763 30.470 29.700 0.011 0.000 1.078 364 E HN 0.477 nan 8.360 nan 0.000 0.396 365 I N 4.961 125.595 120.570 0.106 0.000 2.441 365 I HA 0.214 4.385 4.170 0.000 0.000 0.287 365 I C 0.186 176.359 176.117 0.093 0.000 1.049 365 I CA -0.258 61.106 61.300 0.105 0.000 1.381 365 I CB 0.706 38.772 38.000 0.111 0.000 1.409 365 I HN 0.332 nan 8.210 nan 0.000 0.523 366 V N 6.883 126.854 119.914 0.094 0.000 3.007 366 V HA 0.373 4.493 4.120 0.000 0.000 0.311 366 V C 0.814 176.948 176.094 0.068 0.000 1.120 366 V CA -0.578 61.778 62.300 0.093 0.000 0.980 366 V CB 2.699 34.603 31.823 0.135 0.000 1.033 366 V HN 0.682 nan 8.190 nan 0.000 0.429 367 K N 1.689 122.120 120.400 0.052 0.000 2.044 367 K HA 0.137 4.457 4.320 0.000 0.000 0.204 367 K C 0.242 176.868 176.600 0.042 0.000 1.049 367 K CA 1.247 57.557 56.287 0.040 0.000 0.945 367 K CB -0.062 32.454 32.500 0.027 0.000 0.724 367 K HN 0.775 nan 8.250 nan 0.000 0.440 368 D N -0.345 120.079 120.400 0.040 0.000 2.549 368 D HA 0.168 4.808 4.640 0.000 0.000 0.251 368 D C -0.189 176.138 176.300 0.045 0.000 1.153 368 D CA -0.250 53.771 54.000 0.036 0.000 0.861 368 D CB 0.949 41.760 40.800 0.019 0.000 1.207 368 D HN -0.152 nan 8.370 nan 0.000 0.543 369 R N 2.795 123.329 120.500 0.057 0.000 2.514 369 R HA 0.044 4.384 4.340 0.000 0.000 0.216 369 R C 0.267 176.595 176.300 0.046 0.000 1.295 369 R CA 0.721 56.866 56.100 0.074 0.000 1.246 369 R CB 0.051 30.397 30.300 0.078 0.000 1.057 369 R HN 0.401 nan 8.270 nan 0.000 0.490 370 R N -3.557 116.953 120.500 0.016 0.000 3.062 370 R HA 0.106 4.446 4.340 0.000 0.000 0.161 370 R C 1.641 177.918 176.300 -0.037 0.000 0.778 370 R CA 0.613 56.707 56.100 -0.010 0.000 1.168 370 R CB -0.165 30.133 30.300 -0.003 0.000 1.618 370 R HN 0.044 nan 8.270 nan 0.000 0.566 371 T N 1.732 116.271 114.554 -0.026 0.000 2.995 371 T HA 0.029 4.380 4.350 0.000 0.000 0.269 371 T C 0.343 175.009 174.700 -0.058 0.000 1.091 371 T CA 0.529 62.606 62.100 -0.039 0.000 1.128 371 T CB -0.149 68.707 68.868 -0.019 0.000 0.891 371 T HN 0.194 nan 8.240 nan 0.000 0.492 372 K N 1.068 121.447 120.400 -0.036 0.000 3.016 372 K HA -0.170 4.150 4.320 0.000 0.000 0.262 372 K C -0.201 176.394 176.600 -0.007 0.000 1.043 372 K CA 0.355 56.626 56.287 -0.027 0.000 0.761 372 K CB -1.306 31.078 32.500 -0.193 0.000 1.230 372 K HN 0.539 nan 8.250 nan 0.000 0.485 373 E N 1.330 121.532 120.200 0.003 0.000 2.366 373 E HA 0.048 4.398 4.350 0.000 0.000 0.266 373 E C -2.324 174.294 176.600 0.030 0.000 1.015 373 E CA -1.778 54.627 56.400 0.009 0.000 0.906 373 E CB 0.617 30.320 29.700 0.005 0.000 0.979 373 E HN -0.032 nan 8.360 nan 0.000 0.443 374 P HA -0.063 nan 4.420 nan 0.000 0.264 374 P C -1.231 176.087 177.300 0.030 0.000 1.183 374 P CA 0.321 63.445 63.100 0.040 0.000 0.763 374 P CB 0.596 32.316 31.700 0.033 0.000 0.807 375 A N 3.450 126.290 122.820 0.032 0.000 2.621 375 A HA 0.218 4.539 4.320 0.000 0.000 0.329 375 A C 0.357 177.945 177.584 0.006 0.000 1.458 375 A CA -0.522 51.528 52.037 0.022 0.000 1.052 375 A CB -0.485 18.534 19.000 0.032 0.000 1.142 375 A HN 0.555 nan 8.150 nan 0.000 0.523 376 D N 1.768 122.168 120.400 0.001 0.000 2.372 376 D HA 0.334 4.974 4.640 0.000 0.000 0.243 376 D C 1.130 177.423 176.300 -0.011 0.000 1.121 376 D CA 0.771 54.766 54.000 -0.009 0.000 0.898 376 D CB 1.199 41.996 40.800 -0.006 0.000 1.202 376 D HN 0.928 nan 8.370 nan 0.000 0.428 377 G N 1.856 110.644 108.800 -0.020 0.000 2.674 377 G HA2 -0.397 3.563 3.960 0.000 0.000 0.236 377 G HA3 -0.397 3.563 3.960 0.000 0.000 0.236 377 G C 0.955 175.847 174.900 -0.013 0.000 1.178 377 G CA 0.677 45.766 45.100 -0.018 0.000 0.721 377 G HN 0.596 nan 8.290 nan 0.000 0.515 378 L N 2.165 123.386 121.223 -0.005 0.000 2.012 378 L HA 0.227 4.568 4.340 0.000 0.000 0.210 378 L C 2.899 179.781 176.870 0.019 0.000 1.073 378 L CA 3.198 58.041 54.840 0.006 0.000 0.748 378 L CB -1.286 40.780 42.059 0.012 0.000 0.891 378 L HN 0.553 nan 8.230 nan 0.000 0.431 379 G N -0.934 107.865 108.800 -0.002 0.000 2.513 379 G HA2 -0.338 3.622 3.960 0.000 0.000 0.219 379 G HA3 -0.338 3.622 3.960 0.000 0.000 0.219 379 G C 1.575 176.449 174.900 -0.044 0.000 1.160 379 G CA 1.117 46.188 45.100 -0.047 0.000 0.767 379 G HN 0.677 nan 8.290 nan 0.000 0.571 380 A N 0.802 123.594 122.820 -0.047 0.000 1.968 380 A HA 0.058 4.378 4.320 0.000 0.000 0.217 380 A C 2.323 179.912 177.584 0.007 0.000 1.169 380 A CA 1.797 53.815 52.037 -0.032 0.000 0.638 380 A CB -0.201 18.773 19.000 -0.043 0.000 0.812 380 A HN 0.444 nan 8.150 nan 0.000 0.446 381 K N -0.225 120.183 120.400 0.013 0.000 2.103 381 K HA 0.045 4.366 4.320 0.000 0.000 0.204 381 K C 1.762 178.382 176.600 0.034 0.000 1.052 381 K CA 1.181 57.476 56.287 0.013 0.000 0.945 381 K CB -0.390 32.110 32.500 0.000 0.000 0.722 381 K HN 0.474 nan 8.250 nan 0.000 0.443 382 I N 2.104 122.716 120.570 0.070 0.000 2.163 382 I HA -0.281 3.889 4.170 0.000 0.000 0.243 382 I C 2.216 178.423 176.117 0.150 0.000 1.085 382 I CA 1.611 62.971 61.300 0.100 0.000 1.347 382 I CB -0.722 37.401 38.000 0.205 0.000 1.044 382 I HN 0.188 nan 8.210 nan 0.000 0.408 383 T N 0.213 114.919 114.554 0.252 0.000 2.759 383 T HA -0.249 4.101 4.350 0.000 0.000 0.269 383 T C 1.958 176.718 174.700 0.100 0.000 1.042 383 T CA 1.466 63.710 62.100 0.241 0.000 1.140 383 T CB -0.367 68.591 68.868 0.149 0.000 0.864 383 T HN 0.351 nan 8.240 nan 0.000 0.455 384 R N 1.001 121.535 120.500 0.057 0.000 2.066 384 R HA -0.103 4.238 4.340 0.000 0.000 0.232 384 R C 2.287 178.594 176.300 0.012 0.000 1.131 384 R CA 1.333 57.447 56.100 0.024 0.000 0.955 384 R CB -0.079 30.226 30.300 0.009 0.000 0.851 384 R HN 0.305 nan 8.270 nan 0.000 0.432 385 E N 0.371 120.575 120.200 0.006 0.000 2.106 385 E HA -0.181 4.169 4.350 0.000 0.000 0.192 385 E C 2.194 178.781 176.600 -0.021 0.000 0.984 385 E CA 1.077 57.470 56.400 -0.012 0.000 0.806 385 E CB -0.484 29.202 29.700 -0.024 0.000 0.750 385 E HN 0.429 nan 8.360 nan 0.000 0.458 386 C N 0.894 120.182 119.300 -0.020 0.000 2.393 386 C HA -0.178 4.283 4.460 0.000 0.000 0.276 386 C C 2.817 177.788 174.990 -0.032 0.000 1.215 386 C CA 1.140 60.131 59.018 -0.045 0.000 1.743 386 C CB -0.846 26.868 27.740 -0.043 0.000 2.044 386 C HN 0.400 nan 8.230 nan 0.000 0.464 387 M N 1.880 121.478 119.600 -0.004 0.000 2.073 387 M HA -0.131 4.349 4.480 0.000 0.000 0.258 387 M C 1.811 178.107 176.300 -0.006 0.000 1.070 387 M CA 1.820 57.120 55.300 0.001 0.000 1.103 387 M CB -0.915 31.696 32.600 0.017 0.000 1.321 387 M HN 0.336 nan 8.290 nan 0.000 0.405 388 N N 0.107 118.802 118.700 -0.007 0.000 2.104 388 N HA -0.134 4.607 4.740 0.000 0.000 0.190 388 N C 1.760 177.262 175.510 -0.013 0.000 1.024 388 N CA 1.546 54.591 53.050 -0.008 0.000 0.853 388 N CB -0.656 37.825 38.487 -0.010 0.000 1.008 388 N HN 0.432 nan 8.380 nan 0.000 0.424 389 L N -0.386 120.823 121.223 -0.023 0.000 2.362 389 L HA -0.018 4.322 4.340 0.000 0.000 0.219 389 L C 1.063 177.915 176.870 -0.030 0.000 1.134 389 L CA 0.766 55.588 54.840 -0.030 0.000 0.807 389 L CB -0.433 41.599 42.059 -0.045 0.000 0.927 389 L HN 0.339 nan 8.230 nan 0.000 0.447 390 G N 0.621 109.405 108.800 -0.027 0.000 2.141 390 G HA2 -0.217 3.743 3.960 0.000 0.000 0.195 390 G HA3 -0.217 3.743 3.960 0.000 0.000 0.195 390 G C -0.549 174.326 174.900 -0.041 0.000 1.012 390 G CA -0.073 45.017 45.100 -0.018 0.000 0.696 390 G HN 0.149 nan 8.290 nan 0.000 0.508 391 L N 0.999 122.177 121.223 -0.074 0.000 2.372 391 L HA 0.842 5.182 4.340 0.000 0.000 0.274 391 L C 0.149 176.977 176.870 -0.071 0.000 0.988 391 L CA -0.545 54.214 54.840 -0.135 0.000 0.833 391 L CB 2.060 43.975 42.059 -0.239 0.000 1.236 391 L HN 0.237 nan 8.230 nan 0.000 0.410 392 S N 6.448 122.125 115.700 -0.039 0.000 2.422 392 S HA 0.632 5.103 4.470 0.000 0.000 0.283 392 S C -0.100 174.548 174.600 0.080 0.000 1.163 392 S CA -0.543 57.674 58.200 0.030 0.000 1.054 392 S CB -0.081 63.145 63.200 0.042 0.000 0.967 392 S HN 0.615 nan 8.310 nan 0.000 0.499 393 M N 3.972 123.639 119.600 0.113 0.000 2.821 393 M HA 0.483 4.963 4.480 0.000 0.000 0.304 393 M C -0.236 176.175 176.300 0.184 0.000 1.233 393 M CA -0.735 54.687 55.300 0.202 0.000 0.851 393 M CB 1.694 34.468 32.600 0.289 0.000 1.723 393 M HN 0.700 nan 8.290 nan 0.000 0.493 394 N N 1.056 119.880 118.700 0.207 0.000 2.478 394 N HA 0.418 5.158 4.740 0.000 0.000 0.291 394 N C -2.229 173.259 175.510 -0.035 0.000 1.090 394 N CA -0.233 52.854 53.050 0.062 0.000 0.911 394 N CB 2.379 40.883 38.487 0.028 0.000 1.546 394 N HN 0.730 nan 8.380 nan 0.000 0.500 395 I N 3.817 124.265 120.570 -0.203 0.000 2.412 395 I HA 0.406 4.576 4.170 0.000 0.000 0.296 395 I C -0.486 175.492 176.117 -0.232 0.000 0.987 395 I CA -0.801 60.261 61.300 -0.397 0.000 1.180 395 I CB 1.539 39.120 38.000 -0.700 0.000 1.340 395 I HN 0.335 nan 8.210 nan 0.000 0.455 396 V N 4.731 124.527 119.914 -0.197 0.000 2.459 396 V HA 0.591 4.711 4.120 0.000 0.000 0.295 396 V C -0.883 175.139 176.094 -0.119 0.000 1.029 396 V CA -0.480 61.737 62.300 -0.139 0.000 0.874 396 V CB 1.556 33.306 31.823 -0.121 0.000 0.985 396 V HN 0.862 nan 8.190 nan 0.000 0.438 397 Q N 4.288 124.035 119.800 -0.088 0.000 2.339 397 Q HA 0.743 5.084 4.340 0.000 0.000 0.268 397 Q C -1.675 174.309 176.000 -0.025 0.000 1.027 397 Q CA -0.246 55.521 55.803 -0.060 0.000 0.759 397 Q CB 1.517 30.216 28.738 -0.064 0.000 1.244 397 Q HN 0.928 nan 8.270 nan 0.000 0.464 398 L N 5.030 126.248 121.223 -0.008 0.000 2.313 398 L HA 0.718 5.058 4.340 0.000 0.000 0.268 398 L C -2.085 174.803 176.870 0.031 0.000 1.010 398 L CA -2.132 52.716 54.840 0.014 0.000 0.814 398 L CB 1.269 43.334 42.059 0.010 0.000 1.304 398 L HN 0.631 nan 8.230 nan 0.000 0.441 399 P HA 0.061 nan 4.420 nan 0.000 0.262 399 P C 0.725 178.059 177.300 0.056 0.000 1.182 399 P CA 0.608 63.734 63.100 0.044 0.000 0.761 399 P CB 0.455 32.184 31.700 0.049 0.000 0.795 400 G N 2.080 110.910 108.800 0.049 0.000 2.187 400 G HA2 -0.269 3.691 3.960 0.000 0.000 0.261 400 G HA3 -0.269 3.691 3.960 0.000 0.000 0.261 400 G C 0.059 175.006 174.900 0.077 0.000 1.000 400 G CA 0.367 45.498 45.100 0.052 0.000 0.718 400 G HN 0.517 nan 8.290 nan 0.000 0.519 401 M N -0.521 119.133 119.600 0.091 0.000 2.690 401 M HA 0.594 5.075 4.480 0.000 0.000 0.302 401 M C 0.921 177.283 176.300 0.104 0.000 1.234 401 M CA -0.332 55.053 55.300 0.142 0.000 0.853 401 M CB 1.961 34.662 32.600 0.168 0.000 1.748 401 M HN 0.175 nan 8.290 nan 0.000 0.469 402 G N -0.051 108.832 108.800 0.139 0.000 2.599 402 G HA2 0.511 4.471 3.960 0.000 0.000 0.264 402 G HA3 0.511 4.471 3.960 0.000 0.000 0.264 402 G C -0.078 174.852 174.900 0.051 0.000 1.200 402 G CA -0.553 44.606 45.100 0.098 0.000 0.896 402 G HN 0.839 nan 8.290 nan 0.000 0.536 403 G N -1.523 107.276 108.800 -0.002 0.000 2.406 403 G HA2 0.441 4.402 3.960 0.000 0.000 0.251 403 G HA3 0.441 4.402 3.960 0.000 0.000 0.251 403 G C -0.550 174.286 174.900 -0.107 0.000 1.271 403 G CA -0.153 44.897 45.100 -0.085 0.000 0.859 403 G HN 0.623 nan 8.290 nan 0.000 0.540 404 V N 2.668 122.492 119.914 -0.149 0.000 2.448 404 V HA 0.377 4.497 4.120 0.000 0.000 0.295 404 V C -0.603 175.380 176.094 -0.185 0.000 1.025 404 V CA -0.716 61.521 62.300 -0.106 0.000 0.859 404 V CB 1.414 33.214 31.823 -0.039 0.000 0.988 404 V HN 0.595 nan 8.190 nan 0.000 0.431 405 F N 3.956 123.896 119.950 -0.018 0.000 2.420 405 F HA 0.486 5.013 4.527 0.000 0.000 0.352 405 F C 1.070 176.857 175.800 -0.022 0.000 1.108 405 F CA -0.264 57.727 58.000 -0.014 0.000 1.162 405 F CB 0.876 39.876 39.000 -0.000 0.000 1.118 405 F HN 0.272 nan 8.300 nan 0.000 0.510 406 R N 5.448 126.033 120.500 0.142 0.000 2.215 406 R HA 0.477 4.818 4.340 0.000 0.000 0.337 406 R C -0.908 175.433 176.300 0.069 0.000 1.010 406 R CA -0.413 55.721 56.100 0.057 0.000 0.871 406 R CB 0.947 31.242 30.300 -0.009 0.000 1.134 406 R HN 0.599 nan 8.270 nan 0.000 0.477 407 I N 2.094 122.682 120.570 0.029 0.000 2.339 407 I HA 0.403 4.573 4.170 0.000 0.000 0.290 407 I C 0.110 176.146 176.117 -0.135 0.000 0.994 407 I CA -0.535 60.744 61.300 -0.035 0.000 1.191 407 I CB 1.838 39.812 38.000 -0.043 0.000 1.343 407 I HN 0.611 nan 8.210 nan 0.000 0.458 408 A N 8.410 131.124 122.820 -0.177 0.000 3.158 408 A HA 0.552 4.872 4.320 0.000 0.000 0.302 408 A C -2.797 174.651 177.584 -0.226 0.000 1.162 408 A CA -1.075 50.851 52.037 -0.185 0.000 0.824 408 A CB 0.275 19.213 19.000 -0.104 0.000 1.322 408 A HN 0.348 nan 8.150 nan 0.000 0.510 409 P HA 0.419 nan 4.420 nan 0.000 0.276 409 P C -2.826 174.362 177.300 -0.187 0.000 1.261 409 P CA -1.522 61.383 63.100 -0.324 0.000 0.800 409 P CB -0.216 31.151 31.700 -0.556 0.000 1.066 410 P HA 0.112 nan 4.420 nan 0.000 0.267 410 P C 1.080 178.331 177.300 -0.082 0.000 1.200 410 P CA 0.232 63.277 63.100 -0.092 0.000 0.772 410 P CB 0.200 31.862 31.700 -0.063 0.000 0.855 411 L N 1.283 122.464 121.223 -0.069 0.000 2.275 411 L HA -0.102 4.238 4.340 0.000 0.000 0.215 411 L C 1.718 178.569 176.870 -0.031 0.000 1.119 411 L CA 1.664 56.469 54.840 -0.059 0.000 0.790 411 L CB -1.108 40.914 42.059 -0.061 0.000 0.919 411 L HN 0.471 nan 8.230 nan 0.000 0.443 412 T N -3.456 111.092 114.554 -0.010 0.000 3.169 412 T HA 0.124 4.474 4.350 0.000 0.000 0.250 412 T C 0.609 175.322 174.700 0.021 0.000 1.111 412 T CA -0.256 61.858 62.100 0.024 0.000 1.010 412 T CB -0.302 68.607 68.868 0.069 0.000 0.984 412 T HN 0.022 nan 8.240 nan 0.000 0.537 413 V N 3.419 123.330 119.914 -0.005 0.000 2.872 413 V HA 0.404 4.524 4.120 0.000 0.000 0.307 413 V C 0.589 176.697 176.094 0.024 0.000 1.072 413 V CA -0.226 62.076 62.300 0.004 0.000 1.148 413 V CB 0.929 32.735 31.823 -0.029 0.000 0.954 413 V HN 0.776 nan 8.190 nan 0.000 0.490 414 S N 4.368 120.098 115.700 0.050 0.000 2.687 414 S HA 0.412 4.882 4.470 0.000 0.000 0.283 414 S C 0.820 175.454 174.600 0.057 0.000 1.170 414 S CA -0.176 58.057 58.200 0.056 0.000 1.008 414 S CB 1.403 64.649 63.200 0.077 0.000 1.026 414 S HN 0.792 nan 8.310 nan 0.000 0.541 415 E N 1.017 121.246 120.200 0.048 0.000 2.110 415 E HA -0.181 4.169 4.350 0.000 0.000 0.193 415 E C 0.785 177.421 176.600 0.060 0.000 0.988 415 E CA 1.257 57.684 56.400 0.046 0.000 0.804 415 E CB -0.395 29.326 29.700 0.035 0.000 0.745 415 E HN 0.678 nan 8.360 nan 0.000 0.458 416 D N 1.337 121.776 120.400 0.066 0.000 2.117 416 D HA -0.126 4.514 4.640 0.000 0.000 0.197 416 D C 1.841 178.199 176.300 0.096 0.000 0.987 416 D CA 0.977 55.022 54.000 0.075 0.000 0.829 416 D CB -0.106 40.741 40.800 0.077 0.000 0.961 416 D HN 0.311 nan 8.370 nan 0.000 0.460 417 E N 0.214 120.484 120.200 0.116 0.000 2.072 417 E HA -0.112 4.238 4.350 0.000 0.000 0.191 417 E C 2.207 178.895 176.600 0.148 0.000 0.985 417 E CA 0.312 56.788 56.400 0.128 0.000 0.801 417 E CB 0.126 29.888 29.700 0.104 0.000 0.750 417 E HN 0.175 nan 8.360 nan 0.000 0.452 418 I N 1.935 122.603 120.570 0.163 0.000 2.208 418 I HA -0.255 3.916 4.170 0.000 0.000 0.245 418 I C 1.679 177.891 176.117 0.160 0.000 1.097 418 I CA 1.466 62.898 61.300 0.221 0.000 1.363 418 I CB -0.954 37.116 38.000 0.116 0.000 1.051 418 I HN 0.115 nan 8.210 nan 0.000 0.413 419 D N 0.454 120.909 120.400 0.092 0.000 2.117 419 D HA -0.152 4.488 4.640 0.000 0.000 0.198 419 D C 2.175 178.491 176.300 0.027 0.000 0.982 419 D CA 0.773 54.806 54.000 0.056 0.000 0.828 419 D CB -0.303 40.524 40.800 0.045 0.000 0.967 419 D HN 0.167 nan 8.370 nan 0.000 0.464 420 L N 1.225 122.462 121.223 0.024 0.000 2.012 420 L HA -0.046 4.294 4.340 0.000 0.000 0.210 420 L C 2.221 179.027 176.870 -0.108 0.000 1.073 420 L CA 2.195 57.027 54.840 -0.012 0.000 0.748 420 L CB -1.095 40.985 42.059 0.035 0.000 0.891 420 L HN 0.061 nan 8.230 nan 0.000 0.431 421 G N -0.444 108.230 108.800 -0.210 0.000 2.446 421 G HA2 -0.235 3.726 3.960 0.000 0.000 0.217 421 G HA3 -0.235 3.726 3.960 0.000 0.000 0.217 421 G C 1.503 176.263 174.900 -0.234 0.000 1.168 421 G CA 0.875 45.663 45.100 -0.521 0.000 0.771 421 G HN 0.341 nan 8.290 nan 0.000 0.551 422 L N 1.086 122.283 121.223 -0.044 0.000 2.083 422 L HA -0.034 4.306 4.340 0.000 0.000 0.209 422 L C 3.021 179.877 176.870 -0.023 0.000 1.083 422 L CA 1.841 56.683 54.840 0.002 0.000 0.752 422 L CB -1.249 40.835 42.059 0.041 0.000 0.899 422 L HN 0.333 nan 8.230 nan 0.000 0.433 423 S N -0.512 115.170 115.700 -0.031 0.000 2.343 423 S HA -0.151 4.320 4.470 0.000 0.000 0.219 423 S C 2.116 176.692 174.600 -0.041 0.000 1.033 423 S CA 1.198 59.385 58.200 -0.021 0.000 1.014 423 S CB -0.165 63.025 63.200 -0.017 0.000 0.915 423 S HN 0.364 nan 8.310 nan 0.000 0.435 424 L N 0.989 122.163 121.223 -0.082 0.000 2.043 424 L HA -0.136 4.204 4.340 0.000 0.000 0.212 424 L C 2.557 179.360 176.870 -0.112 0.000 1.075 424 L CA 1.118 55.899 54.840 -0.098 0.000 0.752 424 L CB -0.666 41.310 42.059 -0.140 0.000 0.891 424 L HN 0.365 nan 8.230 nan 0.000 0.432 425 L N 0.386 121.525 121.223 -0.141 0.000 2.046 425 L HA -0.076 4.264 4.340 0.000 0.000 0.208 425 L C 2.366 179.167 176.870 -0.114 0.000 1.077 425 L CA 2.140 56.881 54.840 -0.165 0.000 0.747 425 L CB -1.099 40.851 42.059 -0.181 0.000 0.896 425 L HN 0.129 nan 8.230 nan 0.000 0.432 426 G N -1.475 107.316 108.800 -0.016 0.000 2.418 426 G HA2 -0.268 3.692 3.960 0.000 0.000 0.217 426 G HA3 -0.268 3.692 3.960 0.000 0.000 0.217 426 G C 1.457 176.401 174.900 0.074 0.000 1.158 426 G CA 0.723 45.892 45.100 0.116 0.000 0.771 426 G HN 0.543 nan 8.290 nan 0.000 0.545 427 Q N 0.119 119.932 119.800 0.021 0.000 2.124 427 Q HA 0.021 4.361 4.340 0.000 0.000 0.202 427 Q C 2.974 178.953 176.000 -0.035 0.000 0.977 427 Q CA 1.120 56.929 55.803 0.010 0.000 0.850 427 Q CB -0.218 28.517 28.738 -0.006 0.000 0.901 427 Q HN 0.493 nan 8.270 nan 0.000 0.429 428 A N 0.732 123.505 122.820 -0.079 0.000 1.930 428 A HA -0.131 4.189 4.320 0.000 0.000 0.217 428 A C 1.991 179.487 177.584 -0.146 0.000 1.175 428 A CA 0.933 52.912 52.037 -0.098 0.000 0.627 428 A CB -0.445 18.487 19.000 -0.113 0.000 0.815 428 A HN 0.277 nan 8.150 nan 0.000 0.443 429 I N 0.165 120.580 120.570 -0.258 0.000 2.252 429 I HA -0.244 3.927 4.170 0.000 0.000 0.245 429 I C 2.625 178.513 176.117 -0.382 0.000 1.102 429 I CA 1.691 62.717 61.300 -0.457 0.000 1.385 429 I CB -0.318 37.103 38.000 -0.966 0.000 1.064 429 I HN 0.633 nan 8.210 nan 0.000 0.414 430 E N 1.759 121.838 120.200 -0.201 0.000 2.208 430 E HA -0.267 4.084 4.350 0.000 0.000 0.193 430 E C 2.266 178.868 176.600 0.004 0.000 0.988 430 E CA 0.820 57.233 56.400 0.022 0.000 0.828 430 E CB -0.223 29.620 29.700 0.239 0.000 0.763 430 E HN 0.407 nan 8.360 nan 0.000 0.478 431 R N 0.625 121.111 120.500 -0.023 0.000 2.115 431 R HA 0.015 4.355 4.340 0.000 0.000 0.226 431 R C 2.115 178.400 176.300 -0.025 0.000 1.100 431 R CA 1.242 57.333 56.100 -0.016 0.000 0.980 431 R CB -0.189 30.099 30.300 -0.019 0.000 0.875 431 R HN 0.235 nan 8.270 nan 0.000 0.445 432 A N 0.385 123.175 122.820 -0.050 0.000 2.123 432 A HA 0.202 4.523 4.320 0.000 0.000 0.214 432 A C 0.806 178.369 177.584 -0.034 0.000 1.152 432 A CA 0.130 52.142 52.037 -0.042 0.000 0.728 432 A CB -0.057 18.914 19.000 -0.049 0.000 0.814 432 A HN 0.207 nan 8.150 nan 0.000 0.464 433 L N 0.000 121.201 121.223 -0.036 0.000 2.949 433 L HA 0.000 4.340 4.340 0.000 0.000 0.249 433 L CA 0.000 54.833 54.840 -0.011 0.000 0.813 433 L CB 0.000 42.061 42.059 0.004 0.000 0.961 433 L HN 0.000 nan 8.230 nan 0.000 0.502