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 1m0n_1_A DATA FIRST_RESID 3 DATA SEQUENCE LNDDATFWRN ARHHLVRYGG TFEPMIIERA KGSFVYDADG RAILDFTSGQ DATA SEQUENCE MSAVLGHCHP EIVSVIGEYA GKLDHLFSEM 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 0.009 0.000 1.165 3 L CA 0.000 54.844 54.840 0.006 0.000 0.813 3 L CB 0.000 42.071 42.059 0.019 0.000 0.961 4 N N 0.494 119.217 118.700 0.038 0.000 2.461 4 N HA 0.034 4.774 4.740 0.001 0.000 0.188 4 N C -0.094 175.573 175.510 0.262 0.000 1.134 4 N CA 0.495 53.601 53.050 0.093 0.000 0.878 4 N CB 0.349 38.890 38.487 0.090 0.000 0.972 4 N HN 0.491 nan 8.380 nan 0.000 0.456 5 D N 0.165 120.674 120.400 0.182 0.000 2.339 5 D HA -0.062 4.579 4.640 0.001 0.000 0.217 5 D C 0.087 176.580 176.300 0.321 0.000 1.050 5 D CA -0.015 54.125 54.000 0.232 0.000 0.856 5 D CB 0.110 40.966 40.800 0.093 0.000 0.922 5 D HN 0.097 nan 8.370 nan 0.000 0.518 6 D N 1.600 122.139 120.400 0.232 0.000 3.304 6 D HA -0.130 4.511 4.640 0.001 0.000 0.241 6 D C 1.290 177.778 176.300 0.314 0.000 1.310 6 D CA 0.041 54.146 54.000 0.175 0.000 0.884 6 D CB 0.637 41.465 40.800 0.048 0.000 1.167 6 D HN 0.083 nan 8.370 nan 0.000 0.598 7 A N 3.834 126.795 122.820 0.234 0.000 1.908 7 A HA -0.203 4.117 4.320 0.001 0.000 0.218 7 A C 2.220 179.902 177.584 0.163 0.000 1.181 7 A CA 1.992 54.165 52.037 0.227 0.000 0.627 7 A CB -0.499 18.581 19.000 0.134 0.000 0.818 7 A HN 0.644 nan 8.150 nan 0.000 0.445 8 T N -0.562 114.051 114.554 0.100 0.000 2.652 8 T HA -0.203 4.148 4.350 0.001 0.000 0.267 8 T C 1.623 176.311 174.700 -0.021 0.000 1.039 8 T CA 1.630 63.745 62.100 0.026 0.000 1.153 8 T CB -0.544 68.343 68.868 0.031 0.000 0.863 8 T HN 0.479 nan 8.240 nan 0.000 0.428 9 F N 0.657 120.508 119.950 -0.166 0.000 2.043 9 F HA -0.188 4.339 4.527 0.001 0.000 0.297 9 F C 1.963 177.512 175.800 -0.418 0.000 1.121 9 F CA 1.418 59.199 58.000 -0.366 0.000 1.199 9 F CB -0.611 38.057 39.000 -0.554 0.000 0.968 9 F HN 0.201 nan 8.300 nan 0.000 0.478 10 W N 0.458 121.868 121.300 0.183 0.000 2.425 10 W HA -0.056 4.604 4.660 0.001 0.000 0.277 10 W C 2.744 179.181 176.519 -0.137 0.000 1.231 10 W CA 1.159 58.527 57.345 0.038 0.000 1.248 10 W CB -0.481 29.064 29.460 0.142 0.000 1.117 10 W HN -0.040 nan 8.180 nan 0.000 0.568 11 R N 0.821 121.315 120.500 -0.011 0.000 2.061 11 R HA -0.167 4.174 4.340 0.001 0.000 0.230 11 R C 1.892 177.811 176.300 -0.636 0.000 1.140 11 R CA 1.759 57.685 56.100 -0.290 0.000 0.940 11 R CB -0.672 29.462 30.300 -0.277 0.000 0.839 11 R HN 0.096 nan 8.270 nan 0.000 0.429 12 N N 0.671 119.084 118.700 -0.478 0.000 2.149 12 N HA -0.155 4.585 4.740 0.001 0.000 0.188 12 N C 1.619 176.954 175.510 -0.291 0.000 1.019 12 N CA 1.468 54.299 53.050 -0.366 0.000 0.857 12 N CB -0.371 38.011 38.487 -0.175 0.000 0.997 12 N HN 0.334 nan 8.380 nan 0.000 0.426 13 A N 1.237 123.825 122.820 -0.386 0.000 1.908 13 A HA -0.131 4.190 4.320 0.001 0.000 0.218 13 A C 2.304 179.842 177.584 -0.076 0.000 1.181 13 A CA 1.243 53.078 52.037 -0.336 0.000 0.627 13 A CB -0.426 18.258 19.000 -0.526 0.000 0.818 13 A HN 0.218 nan 8.150 nan 0.000 0.445 14 R N -1.539 118.949 120.500 -0.021 0.000 2.090 14 R HA -0.074 4.267 4.340 0.001 0.000 0.228 14 R C 1.997 178.371 176.300 0.123 0.000 1.110 14 R CA 1.491 57.653 56.100 0.103 0.000 0.973 14 R CB -0.349 30.040 30.300 0.148 0.000 0.869 14 R HN 0.801 nan 8.270 nan 0.000 0.440 15 H N -2.033 116.908 119.070 -0.216 0.000 2.470 15 H HA 0.008 4.564 4.556 0.001 0.000 0.289 15 H C 0.829 175.922 175.328 -0.392 0.000 1.033 15 H CA 0.492 56.294 56.048 -0.410 0.000 1.331 15 H CB 0.397 29.653 29.762 -0.844 0.000 1.414 15 H HN 0.273 nan 8.280 nan 0.000 0.545 16 H N -0.614 118.530 119.070 0.123 0.000 2.923 16 H HA 0.280 4.836 4.556 0.001 0.000 0.268 16 H C -0.120 175.236 175.328 0.046 0.000 1.148 16 H CA 0.005 56.089 56.048 0.060 0.000 1.146 16 H CB 1.034 30.803 29.762 0.012 0.000 1.607 16 H HN 0.126 nan 8.280 nan 0.000 0.566 17 L N 1.420 122.741 121.223 0.163 0.000 2.307 17 L HA 0.349 4.690 4.340 0.001 0.000 0.284 17 L C 0.075 177.078 176.870 0.223 0.000 1.023 17 L CA -0.912 54.037 54.840 0.182 0.000 0.810 17 L CB 2.606 44.768 42.059 0.173 0.000 1.231 17 L HN -0.204 nan 8.230 nan 0.000 0.423 18 V N 3.654 123.713 119.914 0.241 0.000 2.583 18 V HA 0.229 4.349 4.120 0.001 0.000 0.287 18 V C 0.418 176.694 176.094 0.303 0.000 1.051 18 V CA -0.368 62.068 62.300 0.226 0.000 1.010 18 V CB 1.276 33.228 31.823 0.216 0.000 0.988 18 V HN 0.675 nan 8.190 nan 0.000 0.478 19 R N 3.457 124.053 120.500 0.160 0.000 2.297 19 R HA 0.349 4.690 4.340 0.001 0.000 0.308 19 R C -0.365 175.932 176.300 -0.006 0.000 1.029 19 R CA -0.233 55.846 56.100 -0.035 0.000 0.929 19 R CB 0.616 30.844 30.300 -0.120 0.000 1.046 19 R HN 0.853 nan 8.270 nan 0.000 0.461 20 Y N -0.790 119.497 120.300 -0.022 0.000 2.738 20 Y HA 0.566 5.116 4.550 0.001 0.000 0.249 20 Y C 0.179 176.066 175.900 -0.021 0.000 1.157 20 Y CA -0.595 57.510 58.100 0.009 0.000 1.189 20 Y CB 0.778 39.278 38.460 0.067 0.000 1.262 20 Y HN 0.696 nan 8.280 nan 0.000 0.554 21 G N -0.583 108.064 108.800 -0.254 0.000 2.379 21 G HA2 0.455 4.416 3.960 0.001 0.000 0.609 21 G HA3 0.455 4.416 3.960 0.001 0.000 0.609 21 G C -0.027 174.692 174.900 -0.302 0.000 1.484 21 G CA -0.302 44.705 45.100 -0.155 0.000 0.921 21 G HN 1.276 nan 8.290 nan 0.000 0.658 22 G N -0.586 108.088 108.800 -0.211 0.000 2.575 22 G HA2 0.384 4.345 3.960 0.001 0.000 0.267 22 G HA3 0.384 4.345 3.960 0.001 0.000 0.267 22 G C 0.599 175.306 174.900 -0.322 0.000 1.264 22 G CA 1.258 46.228 45.100 -0.215 0.000 0.935 22 G HN 2.857 nan 8.290 nan 0.000 0.568 23 T N -1.516 112.866 114.554 -0.287 0.000 2.933 23 T HA 0.614 4.964 4.350 0.001 0.000 0.305 23 T C -0.436 174.143 174.700 -0.201 0.000 1.092 23 T CA -0.526 61.389 62.100 -0.309 0.000 1.008 23 T CB 0.978 69.756 68.868 -0.149 0.000 1.102 23 T HN 0.969 nan 8.240 nan 0.000 0.469 24 F N 2.569 122.513 119.950 -0.009 0.000 2.538 24 F HA 0.401 4.928 4.527 0.001 0.000 0.371 24 F C 1.152 177.003 175.800 0.085 0.000 1.087 24 F CA -0.547 57.497 58.000 0.073 0.000 1.250 24 F CB 0.252 39.354 39.000 0.171 0.000 1.110 24 F HN 0.566 nan 8.300 nan 0.000 0.570 25 E N 5.438 125.839 120.200 0.335 0.000 2.415 25 E HA 0.056 4.407 4.350 0.001 0.000 0.263 25 E C -1.981 174.764 176.600 0.243 0.000 0.995 25 E CA -1.957 54.572 56.400 0.215 0.000 0.915 25 E CB 0.355 30.169 29.700 0.191 0.000 0.951 25 E HN 0.142 nan 8.360 nan 0.000 0.449 26 P HA 0.017 nan 4.420 nan 0.000 0.238 26 P C -0.820 176.540 177.300 0.100 0.000 1.714 26 P CA 0.395 63.478 63.100 -0.027 0.000 0.908 26 P CB -0.651 30.992 31.700 -0.094 0.000 1.893 27 M N -1.081 118.699 119.600 0.301 0.000 2.843 27 M HA 0.566 5.047 4.480 0.001 0.000 0.273 27 M C -1.368 175.085 176.300 0.256 0.000 1.286 27 M CA -1.422 54.022 55.300 0.240 0.000 0.807 27 M CB 1.823 34.492 32.600 0.116 0.000 1.684 27 M HN -0.340 nan 8.290 nan 0.000 0.458 28 I N 2.688 123.267 120.570 0.016 0.000 2.448 28 I HA 0.348 4.519 4.170 0.001 0.000 0.281 28 I C -0.815 175.231 176.117 -0.119 0.000 1.027 28 I CA -0.827 60.329 61.300 -0.241 0.000 1.111 28 I CB 1.765 39.380 38.000 -0.641 0.000 1.236 28 I HN 0.505 nan 8.210 nan 0.000 0.452 29 I N 6.099 126.634 120.570 -0.058 0.000 2.452 29 I HA 0.109 4.280 4.170 0.001 0.000 0.287 29 I C 1.116 177.218 176.117 -0.024 0.000 1.079 29 I CA 0.552 61.840 61.300 -0.020 0.000 1.387 29 I CB 0.597 38.594 38.000 -0.004 0.000 1.404 29 I HN 0.742 nan 8.210 nan 0.000 0.522 30 E N 5.232 125.434 120.200 0.003 0.000 2.413 30 E HA 0.114 4.465 4.350 0.001 0.000 0.203 30 E C 0.589 177.209 176.600 0.034 0.000 0.957 30 E CA 0.069 56.471 56.400 0.002 0.000 0.950 30 E CB 0.956 30.647 29.700 -0.015 0.000 0.957 30 E HN 0.603 nan 8.360 nan 0.000 0.497 31 R N -0.293 120.260 120.500 0.090 0.000 2.716 31 R HA 0.689 5.030 4.340 0.001 0.000 0.271 31 R C -2.059 174.362 176.300 0.202 0.000 1.028 31 R CA -0.601 55.572 56.100 0.122 0.000 0.883 31 R CB 1.508 31.855 30.300 0.077 0.000 1.250 31 R HN -0.052 nan 8.270 nan 0.000 0.465 32 A N 1.862 124.781 122.820 0.164 0.000 2.517 32 A HA 0.690 5.010 4.320 0.001 0.000 0.297 32 A C -1.677 176.026 177.584 0.198 0.000 1.050 32 A CA -0.657 51.404 52.037 0.040 0.000 0.694 32 A CB 2.140 20.947 19.000 -0.321 0.000 1.277 32 A HN 0.727 nan 8.150 nan 0.000 0.400 33 K N 1.301 121.885 120.400 0.305 0.000 2.575 33 K HA 0.570 4.890 4.320 0.001 0.000 0.255 33 K C 0.404 177.211 176.600 0.345 0.000 0.953 33 K CA 0.981 57.459 56.287 0.318 0.000 0.840 33 K CB 1.248 33.911 32.500 0.273 0.000 1.303 33 K HN 2.554 nan 8.250 nan 0.000 0.438 34 G N 1.981 110.945 108.800 0.273 0.000 2.550 34 G HA2 -0.317 3.644 3.960 0.001 0.000 0.277 34 G HA3 -0.317 3.644 3.960 0.001 0.000 0.277 34 G C 0.251 175.278 174.900 0.212 0.000 1.190 34 G CA 0.257 45.485 45.100 0.213 0.000 0.971 34 G HN 0.932 nan 8.290 nan 0.000 0.559 35 S N 0.526 116.287 115.700 0.102 0.000 2.754 35 S HA 0.534 5.004 4.470 0.001 0.000 0.223 35 S C -0.023 174.273 174.600 -0.508 0.000 0.951 35 S CA 0.610 58.730 58.200 -0.135 0.000 0.954 35 S CB -0.227 62.854 63.200 -0.198 0.000 0.780 35 S HN 0.483 nan 8.310 nan 0.000 0.509 36 F N 0.829 120.822 119.950 0.072 0.000 2.603 36 F HA 0.645 5.173 4.527 0.001 0.000 0.317 36 F C -0.164 175.386 175.800 -0.417 0.000 1.066 36 F CA -1.377 56.496 58.000 -0.212 0.000 0.941 36 F CB 1.710 40.443 39.000 -0.447 0.000 1.291 36 F HN -0.069 nan 8.300 nan 0.000 0.472 37 V N -0.783 118.901 119.914 -0.384 0.000 2.960 37 V HA 0.688 4.808 4.120 0.001 0.000 0.315 37 V C -1.838 173.841 176.094 -0.692 0.000 1.087 37 V CA -1.104 60.932 62.300 -0.439 0.000 0.982 37 V CB 1.949 33.618 31.823 -0.256 0.000 1.039 37 V HN 0.628 nan 8.190 nan 0.000 0.437 38 Y N 1.457 121.760 120.300 0.006 0.000 2.391 38 Y HA 0.616 5.167 4.550 0.001 0.000 0.341 38 Y C 0.124 176.014 175.900 -0.017 0.000 0.965 38 Y CA -0.897 57.202 58.100 -0.001 0.000 1.067 38 Y CB 1.499 39.948 38.460 -0.018 0.000 1.199 38 Y HN 0.985 nan 8.280 nan 0.000 0.450 39 D N 1.016 121.473 120.400 0.095 0.000 2.440 39 D HA 0.300 4.940 4.640 0.001 0.000 0.269 39 D C 1.113 177.432 176.300 0.031 0.000 1.249 39 D CA -0.226 53.799 54.000 0.042 0.000 1.055 39 D CB 0.392 41.209 40.800 0.027 0.000 1.104 39 D HN 0.501 nan 8.370 nan 0.000 0.561 40 A N -0.881 121.930 122.820 -0.014 0.000 2.168 40 A HA -0.080 4.241 4.320 0.001 0.000 0.215 40 A C 1.251 178.827 177.584 -0.013 0.000 1.152 40 A CA 0.990 53.004 52.037 -0.037 0.000 0.716 40 A CB -0.452 18.492 19.000 -0.093 0.000 0.794 40 A HN 0.478 nan 8.150 nan 0.000 0.465 41 D N -1.414 118.990 120.400 0.006 0.000 2.360 41 D HA 0.243 4.883 4.640 0.001 0.000 0.210 41 D C 1.345 177.654 176.300 0.016 0.000 1.047 41 D CA 1.077 55.081 54.000 0.007 0.000 0.854 41 D CB 0.350 41.156 40.800 0.009 0.000 0.936 41 D HN 0.540 nan 8.370 nan 0.000 0.514 42 G N 1.771 110.596 108.800 0.042 0.000 2.141 42 G HA2 -0.303 3.658 3.960 0.001 0.000 0.231 42 G HA3 -0.303 3.658 3.960 0.001 0.000 0.231 42 G C 0.430 175.407 174.900 0.128 0.000 0.984 42 G CA -0.117 45.020 45.100 0.062 0.000 0.660 42 G HN 0.352 nan 8.290 nan 0.000 0.525 43 R N 0.727 121.289 120.500 0.104 0.000 2.442 43 R HA 0.572 4.912 4.340 0.001 0.000 0.291 43 R C 0.689 177.066 176.300 0.129 0.000 1.069 43 R CA 0.462 56.616 56.100 0.090 0.000 1.022 43 R CB 0.315 30.639 30.300 0.040 0.000 0.976 43 R HN 0.630 nan 8.270 nan 0.000 0.443 44 A N 6.372 129.249 122.820 0.095 0.000 2.276 44 A HA 0.408 4.728 4.320 0.001 0.000 0.300 44 A C -0.310 177.257 177.584 -0.028 0.000 1.235 44 A CA -0.598 51.385 52.037 -0.090 0.000 0.867 44 A CB 0.312 19.250 19.000 -0.104 0.000 1.137 44 A HN 0.749 nan 8.150 nan 0.000 0.527 45 I N 3.002 123.559 120.570 -0.022 0.000 2.406 45 I HA 0.213 4.383 4.170 0.001 0.000 0.290 45 I C -0.495 175.707 176.117 0.143 0.000 0.999 45 I CA -0.860 60.487 61.300 0.079 0.000 1.124 45 I CB 1.787 39.773 38.000 -0.022 0.000 1.289 45 I HN 0.570 nan 8.210 nan 0.000 0.441 46 L N 6.212 127.471 121.223 0.060 0.000 2.456 46 L HA 0.170 4.511 4.340 0.001 0.000 0.277 46 L C 0.309 177.061 176.870 -0.197 0.000 1.124 46 L CA 0.433 55.070 54.840 -0.338 0.000 0.880 46 L CB -0.002 41.923 42.059 -0.224 0.000 1.192 46 L HN 0.457 nan 8.230 nan 0.000 0.463 47 D N 4.552 124.835 120.400 -0.196 0.000 2.545 47 D HA -0.043 4.597 4.640 0.001 0.000 0.227 47 D C 0.657 177.050 176.300 0.156 0.000 1.150 47 D CA 0.032 54.042 54.000 0.017 0.000 1.046 47 D CB -0.085 40.765 40.800 0.084 0.000 1.098 47 D HN 0.448 nan 8.370 nan 0.000 0.502 48 F N 0.877 120.778 119.950 -0.082 0.000 2.802 48 F HA -0.020 4.507 4.527 0.001 0.000 0.302 48 F C 2.013 177.795 175.800 -0.029 0.000 1.211 48 F CA 0.610 58.574 58.000 -0.061 0.000 1.431 48 F CB -0.274 38.696 39.000 -0.051 0.000 1.114 48 F HN 0.256 nan 8.300 nan 0.000 0.567 49 T N -5.881 108.735 114.554 0.103 0.000 3.144 49 T HA 0.148 4.498 4.350 0.001 0.000 0.290 49 T C 0.612 175.317 174.700 0.009 0.000 0.966 49 T CA 0.291 62.415 62.100 0.039 0.000 0.907 49 T CB -0.321 68.583 68.868 0.060 0.000 1.152 49 T HN -0.106 nan 8.240 nan 0.000 0.532 50 S N 1.342 117.044 115.700 0.004 0.000 3.608 50 S HA 0.080 4.550 4.470 0.001 0.000 0.382 50 S C 1.468 176.055 174.600 -0.022 0.000 0.945 50 S CA 1.044 59.214 58.200 -0.051 0.000 1.256 50 S CB -1.919 61.228 63.200 -0.088 0.000 0.913 50 S HN 1.967 nan 8.310 nan 0.000 0.518 51 G N 0.968 109.817 108.800 0.083 0.000 2.536 51 G HA2 -0.336 3.625 3.960 0.001 0.000 0.280 51 G HA3 -0.336 3.625 3.960 0.001 0.000 0.280 51 G C -0.218 174.727 174.900 0.074 0.000 1.152 51 G CA 0.609 45.786 45.100 0.128 0.000 0.970 51 G HN 0.919 nan 8.290 nan 0.000 0.549 52 Q N 0.862 120.695 119.800 0.056 0.000 3.091 52 Q HA 0.597 4.937 4.340 0.001 0.000 0.301 52 Q C 0.961 176.967 176.000 0.009 0.000 1.337 52 Q CA 0.091 55.915 55.803 0.035 0.000 1.083 52 Q CB -0.709 28.054 28.738 0.042 0.000 1.477 52 Q HN 0.638 nan 8.270 nan 0.000 0.537 53 M N -0.190 119.410 119.600 -0.001 0.000 2.249 53 M HA -0.279 4.201 4.480 0.001 0.000 0.198 53 M C -0.195 176.095 176.300 -0.018 0.000 0.394 53 M CA 0.814 56.104 55.300 -0.018 0.000 0.427 53 M CB -2.825 29.762 32.600 -0.021 0.000 1.307 53 M HN 0.416 nan 8.290 nan 0.000 0.924 54 S N -1.168 114.517 115.700 -0.026 0.000 3.171 54 S HA 0.363 4.833 4.470 0.001 0.000 0.258 54 S C 0.983 175.548 174.600 -0.058 0.000 1.083 54 S CA 0.292 58.475 58.200 -0.027 0.000 0.801 54 S CB 0.561 63.755 63.200 -0.009 0.000 0.831 54 S HN 0.706 nan 8.310 nan 0.000 0.462 55 A N 3.144 125.903 122.820 -0.102 0.000 3.092 55 A HA 0.298 4.619 4.320 0.001 0.000 0.278 55 A C 1.470 178.977 177.584 -0.129 0.000 1.956 55 A CA -0.013 51.928 52.037 -0.160 0.000 1.501 55 A CB -1.033 17.744 19.000 -0.371 0.000 0.977 55 A HN 0.514 nan 8.150 nan 0.000 0.607 56 V N 0.094 119.955 119.914 -0.088 0.000 2.626 56 V HA -0.135 3.986 4.120 0.001 0.000 0.252 56 V C 1.590 177.648 176.094 -0.060 0.000 1.067 56 V CA 1.516 63.771 62.300 -0.075 0.000 1.081 56 V CB -0.790 30.991 31.823 -0.070 0.000 0.686 56 V HN 0.655 nan 8.190 nan 0.000 0.468 57 L N 1.048 122.239 121.223 -0.053 0.000 2.591 57 L HA 0.491 4.831 4.340 0.001 0.000 0.228 57 L C 1.328 178.242 176.870 0.073 0.000 1.133 57 L CA 0.668 55.511 54.840 0.006 0.000 0.880 57 L CB -0.881 41.155 42.059 -0.039 0.000 1.033 57 L HN 0.707 nan 8.230 nan 0.000 0.450 58 G N -0.162 108.615 108.800 -0.039 0.000 2.760 58 G HA2 -0.200 3.761 3.960 0.001 0.000 0.246 58 G HA3 -0.200 3.761 3.960 0.001 0.000 0.246 58 G C -0.468 174.360 174.900 -0.120 0.000 1.359 58 G CA -0.786 44.264 45.100 -0.083 0.000 0.861 58 G HN 0.244 nan 8.290 nan 0.000 0.541 59 H N -0.917 118.199 119.070 0.077 0.000 2.582 59 H HA 0.320 4.876 4.556 0.001 0.000 0.345 59 H C 1.427 176.814 175.328 0.098 0.000 1.104 59 H CA 0.708 56.807 56.048 0.086 0.000 1.390 59 H CB 0.730 30.544 29.762 0.088 0.000 1.461 59 H HN 1.251 nan 8.280 nan 0.000 0.551 60 C N 2.804 122.237 119.300 0.223 0.000 4.028 60 C HA -0.193 4.267 4.460 0.001 0.000 0.300 60 C C 1.120 176.187 174.990 0.127 0.000 1.399 60 C CA 0.220 59.335 59.018 0.161 0.000 2.051 60 C CB -3.033 24.796 27.740 0.149 0.000 1.318 60 C HN 0.754 nan 8.230 nan 0.000 0.696 61 H N 2.654 121.765 119.070 0.068 0.000 3.046 61 H HA 0.077 4.633 4.556 0.000 0.000 0.303 61 H C -0.592 174.765 175.328 0.047 0.000 1.002 61 H CA -0.446 55.632 56.048 0.050 0.000 1.460 61 H CB 1.119 30.898 29.762 0.029 0.000 1.493 61 H HN 0.300 nan 8.280 nan 0.000 0.559 62 P HA -0.201 nan 4.420 nan 0.000 0.217 62 P C 1.058 178.492 177.300 0.222 0.000 1.148 62 P CA 1.126 64.247 63.100 0.035 0.000 0.834 62 P CB 0.526 32.171 31.700 -0.092 0.000 0.783 63 E N -0.451 120.099 120.200 0.584 0.000 2.106 63 E HA -0.089 4.261 4.350 0.001 0.000 0.192 63 E C 2.145 178.844 176.600 0.165 0.000 0.984 63 E CA 0.773 57.346 56.400 0.289 0.000 0.806 63 E CB -0.578 29.187 29.700 0.109 0.000 0.750 63 E HN 0.278 nan 8.360 nan 0.000 0.458 64 I N 0.536 121.219 120.570 0.187 0.000 2.286 64 I HA -0.161 4.009 4.170 0.001 0.000 0.245 64 I C 2.476 178.659 176.117 0.110 0.000 1.104 64 I CA 0.628 61.992 61.300 0.106 0.000 1.397 64 I CB -1.339 36.726 38.000 0.107 0.000 1.072 64 I HN -0.080 nan 8.210 nan 0.000 0.417 65 V N 0.466 120.456 119.914 0.127 0.000 2.332 65 V HA -0.290 3.830 4.120 0.001 0.000 0.248 65 V C 2.785 178.932 176.094 0.088 0.000 1.055 65 V CA 2.112 64.470 62.300 0.097 0.000 1.038 65 V CB -0.844 31.030 31.823 0.085 0.000 0.651 65 V HN 0.422 nan 8.190 nan 0.000 0.450 66 S N -0.589 115.169 115.700 0.096 0.000 2.354 66 S HA -0.221 4.250 4.470 0.001 0.000 0.219 66 S C 2.077 176.737 174.600 0.100 0.000 1.035 66 S CA 2.099 60.350 58.200 0.085 0.000 1.037 66 S CB -0.396 62.858 63.200 0.089 0.000 0.956 66 S HN 0.332 nan 8.310 nan 0.000 0.428 67 V N 2.279 122.267 119.914 0.122 0.000 2.332 67 V HA -0.121 3.999 4.120 0.001 0.000 0.248 67 V C 2.241 178.462 176.094 0.211 0.000 1.055 67 V CA 1.907 64.316 62.300 0.182 0.000 1.038 67 V CB -0.582 31.331 31.823 0.150 0.000 0.651 67 V HN 0.571 nan 8.190 nan 0.000 0.450 68 I N 0.767 121.421 120.570 0.139 0.000 2.194 68 I HA -0.223 3.948 4.170 0.001 0.000 0.246 68 I C 2.539 178.731 176.117 0.124 0.000 1.093 68 I CA 2.097 63.472 61.300 0.126 0.000 1.355 68 I CB -1.730 36.323 38.000 0.088 0.000 1.046 68 I HN 0.475 nan 8.210 nan 0.000 0.413 69 G N 0.017 108.873 108.800 0.095 0.000 2.433 69 G HA2 -0.230 3.731 3.960 0.001 0.000 0.216 69 G HA3 -0.230 3.731 3.960 0.001 0.000 0.216 69 G C 1.511 176.437 174.900 0.043 0.000 1.186 69 G CA 0.532 45.669 45.100 0.062 0.000 0.779 69 G HN 0.404 nan 8.290 nan 0.000 0.543 70 E N -0.318 119.900 120.200 0.030 0.000 2.055 70 E HA -0.253 4.098 4.350 0.001 0.000 0.209 70 E C 2.248 178.731 176.600 -0.195 0.000 1.036 70 E CA 1.830 58.167 56.400 -0.104 0.000 0.849 70 E CB -0.335 29.274 29.700 -0.151 0.000 0.767 70 E HN 0.617 nan 8.360 nan 0.000 0.461 71 Y N -0.102 120.215 120.300 0.029 0.000 2.373 71 Y HA -0.084 4.468 4.550 0.002 0.000 0.293 71 Y C 2.247 178.169 175.900 0.038 0.000 1.129 71 Y CA 0.691 58.810 58.100 0.033 0.000 1.226 71 Y CB -0.330 38.150 38.460 0.033 0.000 1.000 71 Y HN 0.089 nan 8.280 nan 0.000 0.549 72 A N 0.111 123.018 122.820 0.145 0.000 1.883 72 A HA -0.164 4.157 4.320 0.001 0.000 0.217 72 A C 2.499 180.119 177.584 0.061 0.000 1.186 72 A CA 2.005 54.102 52.037 0.100 0.000 0.624 72 A CB -1.384 17.662 19.000 0.076 0.000 0.822 72 A HN 0.449 nan 8.150 nan 0.000 0.444 73 G N -1.767 107.047 108.800 0.024 0.000 2.777 73 G HA2 0.034 3.994 3.960 0.001 0.000 0.211 73 G HA3 0.034 3.994 3.960 0.001 0.000 0.211 73 G C 1.503 176.391 174.900 -0.021 0.000 1.149 73 G CA 0.890 45.991 45.100 0.001 0.000 0.785 73 G HN 0.507 nan 8.290 nan 0.000 0.536 74 K N -1.014 119.354 120.400 -0.054 0.000 2.225 74 K HA 0.417 4.737 4.320 0.001 0.000 0.204 74 K C -0.185 176.415 176.600 -0.001 0.000 1.047 74 K CA 0.088 56.322 56.287 -0.088 0.000 0.970 74 K CB 0.273 32.604 32.500 -0.281 0.000 0.939 74 K HN 0.121 nan 8.250 nan 0.000 0.472 75 L N 1.970 123.242 121.223 0.082 0.000 2.596 75 L HA 0.138 4.479 4.340 0.001 0.000 0.265 75 L C -1.042 175.954 176.870 0.210 0.000 0.962 75 L CA -0.435 54.500 54.840 0.160 0.000 0.891 75 L CB 1.708 43.917 42.059 0.249 0.000 1.248 75 L HN 0.293 nan 8.230 nan 0.000 0.410 76 D N 1.182 121.680 120.400 0.164 0.000 3.012 76 D HA 0.062 4.703 4.640 0.001 0.000 0.284 76 D C 0.304 176.729 176.300 0.207 0.000 1.259 76 D CA 0.612 54.721 54.000 0.182 0.000 1.036 76 D CB 0.257 41.156 40.800 0.165 0.000 1.167 76 D HN 0.527 nan 8.370 nan 0.000 0.429 77 H N -0.850 118.277 119.070 0.095 0.000 2.806 77 H HA 0.686 5.243 4.556 0.001 0.000 0.367 77 H C -1.494 173.880 175.328 0.077 0.000 1.136 77 H CA -0.839 55.263 56.048 0.089 0.000 1.178 77 H CB 1.489 31.312 29.762 0.102 0.000 1.718 77 H HN 0.051 nan 8.280 nan 0.000 0.540 78 L N 3.144 124.007 121.223 -0.599 0.000 2.359 78 L HA 0.347 4.687 4.340 0.001 0.000 0.256 78 L C -0.585 176.018 176.870 -0.445 0.000 1.026 78 L CA -1.355 53.251 54.840 -0.390 0.000 0.828 78 L CB 1.597 43.586 42.059 -0.117 0.000 1.406 78 L HN 0.555 nan 8.230 nan 0.000 0.413 79 F N 0.421 120.214 119.950 -0.263 0.000 2.629 79 F HA -0.058 4.469 4.527 0.001 0.000 0.377 79 F C 1.414 177.130 175.800 -0.140 0.000 1.101 79 F CA 0.435 58.355 58.000 -0.132 0.000 1.301 79 F CB 0.908 39.888 39.000 -0.033 0.000 1.062 79 F HN 0.449 nan 8.300 nan 0.000 0.583 80 S N 3.312 118.581 115.700 -0.718 0.000 2.547 80 S HA -0.115 4.355 4.470 0.001 0.000 0.235 80 S C 1.258 175.577 174.600 -0.470 0.000 0.980 80 S CA 1.138 58.929 58.200 -0.683 0.000 0.941 80 S CB -0.411 62.148 63.200 -1.068 0.000 0.763 80 S HN 0.738 nan 8.310 nan 0.000 0.532 81 E N 0.169 120.158 120.200 -0.351 0.000 2.481 81 E HA 0.198 4.549 4.350 0.001 0.000 0.198 81 E C -0.192 176.520 176.600 0.186 0.000 1.027 81 E CA 0.082 56.524 56.400 0.070 0.000 0.900 81 E CB 0.236 30.130 29.700 0.325 0.000 0.993 81 E HN 0.498 nan 8.360 nan 0.000 0.482 82 M N 1.907 121.611 119.600 0.173 0.000 2.157 82 M HA 0.311 4.791 4.480 0.001 0.000 0.354 82 M C -0.357 175.969 176.300 0.043 0.000 1.170 82 M CA -0.286 55.088 55.300 0.123 0.000 1.060 82 M CB 1.408 34.090 32.600 0.137 0.000 1.615 82 M HN -0.088 nan 8.290 nan 0.000 0.460 83 L N 2.041 123.289 121.223 0.041 0.000 2.399 83 L HA 0.670 5.010 4.340 0.001 0.000 0.265 83 L C 0.384 177.269 176.870 0.026 0.000 1.089 83 L CA -0.368 54.485 54.840 0.021 0.000 0.802 83 L CB 1.541 43.612 42.059 0.019 0.000 1.180 83 L HN 0.850 nan 8.230 nan 0.000 0.454 84 S N -0.047 115.665 115.700 0.020 0.000 2.625 84 S HA 0.464 4.935 4.470 0.001 0.000 0.271 84 S C 0.262 174.878 174.600 0.025 0.000 1.161 84 S CA -1.012 57.207 58.200 0.032 0.000 0.820 84 S CB 1.944 65.167 63.200 0.040 0.000 1.137 84 S HN 0.571 nan 8.310 nan 0.000 0.470 85 R N 0.324 120.849 120.500 0.042 0.000 2.092 85 R HA 0.072 4.412 4.340 0.001 0.000 0.231 85 R C -1.061 175.240 176.300 0.002 0.000 1.119 85 R CA 1.441 57.561 56.100 0.033 0.000 0.970 85 R CB -1.514 28.821 30.300 0.059 0.000 0.864 85 R HN 0.508 nan 8.270 nan 0.000 0.440 86 P HA -0.136 nan 4.420 nan 0.000 0.215 86 P C 1.413 178.671 177.300 -0.070 0.000 1.157 86 P CA 1.115 64.152 63.100 -0.106 0.000 0.868 86 P CB 0.035 31.583 31.700 -0.255 0.000 0.788 87 V N -0.355 119.529 119.914 -0.051 0.000 2.252 87 V HA -0.233 3.888 4.120 0.001 0.000 0.249 87 V C 2.442 178.521 176.094 -0.025 0.000 1.056 87 V CA 2.052 64.330 62.300 -0.036 0.000 1.022 87 V CB -1.387 30.419 31.823 -0.028 0.000 0.641 87 V HN -0.034 nan 8.190 nan 0.000 0.445 88 V N -0.002 119.903 119.914 -0.015 0.000 2.427 88 V HA -0.216 3.905 4.120 0.001 0.000 0.248 88 V C 2.258 178.346 176.094 -0.010 0.000 1.051 88 V CA 2.013 64.307 62.300 -0.010 0.000 1.048 88 V CB -0.732 31.090 31.823 -0.002 0.000 0.666 88 V HN 0.540 nan 8.190 nan 0.000 0.456 89 D N 0.067 120.460 120.400 -0.011 0.000 2.084 89 D HA -0.159 4.482 4.640 0.001 0.000 0.194 89 D C 1.963 178.255 176.300 -0.013 0.000 0.990 89 D CA 1.260 55.255 54.000 -0.009 0.000 0.826 89 D CB -0.404 40.391 40.800 -0.008 0.000 0.971 89 D HN 0.321 nan 8.370 nan 0.000 0.453 90 L N 0.922 122.130 121.223 -0.024 0.000 2.046 90 L HA -0.083 4.258 4.340 0.001 0.000 0.208 90 L C 2.100 178.963 176.870 -0.013 0.000 1.077 90 L CA 1.900 56.728 54.840 -0.021 0.000 0.747 90 L CB -0.967 41.071 42.059 -0.034 0.000 0.896 90 L HN -0.004 nan 8.230 nan 0.000 0.432 91 A N -1.594 121.216 122.820 -0.017 0.000 1.883 91 A HA -0.239 4.081 4.320 0.001 0.000 0.217 91 A C 2.287 179.862 177.584 -0.015 0.000 1.186 91 A CA 2.503 54.529 52.037 -0.018 0.000 0.624 91 A CB -1.280 17.708 19.000 -0.019 0.000 0.822 91 A HN 0.522 nan 8.150 nan 0.000 0.444 92 T N -0.787 113.761 114.554 -0.010 0.000 2.708 92 T HA -0.141 4.210 4.350 0.001 0.000 0.266 92 T C 2.098 176.799 174.700 0.001 0.000 1.037 92 T CA 1.719 63.815 62.100 -0.006 0.000 1.146 92 T CB -0.261 68.605 68.868 -0.004 0.000 0.865 92 T HN 0.544 nan 8.240 nan 0.000 0.435 93 R N 1.284 121.787 120.500 0.005 0.000 2.113 93 R HA -0.050 4.291 4.340 0.001 0.000 0.244 93 R C 2.230 178.548 176.300 0.030 0.000 1.142 93 R CA 1.623 57.733 56.100 0.017 0.000 0.953 93 R CB -1.134 29.175 30.300 0.015 0.000 0.860 93 R HN 0.405 nan 8.270 nan 0.000 0.438 94 L N -0.258 120.979 121.223 0.023 0.000 2.042 94 L HA -0.154 4.187 4.340 0.001 0.000 0.210 94 L C 2.551 179.417 176.870 -0.006 0.000 1.076 94 L CA 1.499 56.353 54.840 0.023 0.000 0.749 94 L CB -0.706 41.351 42.059 -0.003 0.000 0.893 94 L HN 0.417 nan 8.230 nan 0.000 0.432 95 A N 0.075 122.885 122.820 -0.017 0.000 1.940 95 A HA -0.220 4.101 4.320 0.001 0.000 0.219 95 A C 2.023 179.602 177.584 -0.009 0.000 1.176 95 A CA 1.943 53.964 52.037 -0.027 0.000 0.631 95 A CB -0.539 18.447 19.000 -0.024 0.000 0.814 95 A HN 0.455 nan 8.150 nan 0.000 0.446 96 N N 0.241 118.947 118.700 0.009 0.000 2.188 96 N HA -0.093 4.648 4.740 0.001 0.000 0.184 96 N C 1.609 177.148 175.510 0.047 0.000 1.018 96 N CA 1.774 54.838 53.050 0.023 0.000 0.858 96 N CB -0.386 38.114 38.487 0.022 0.000 0.989 96 N HN 0.801 nan 8.380 nan 0.000 0.426 97 I N -1.701 118.919 120.570 0.084 0.000 3.860 97 I HA 0.164 4.334 4.170 0.001 0.000 0.319 97 I C 0.262 176.530 176.117 0.253 0.000 1.279 97 I CA -0.078 61.318 61.300 0.159 0.000 1.220 97 I CB -0.239 37.874 38.000 0.188 0.000 1.027 97 I HN -0.160 nan 8.210 nan 0.000 0.428 98 T N -0.201 114.416 114.554 0.106 0.000 2.902 98 T HA 0.501 4.851 4.350 0.001 0.000 0.280 98 T C -2.313 172.387 174.700 0.000 0.000 0.992 98 T CA -1.682 60.401 62.100 -0.028 0.000 1.015 98 T CB 0.936 69.644 68.868 -0.265 0.000 1.044 98 T HN -0.078 nan 8.240 nan 0.000 0.520 99 P HA 0.223 nan 4.420 nan 0.000 0.273 99 P C -2.663 174.621 177.300 -0.028 0.000 1.252 99 P CA -1.226 61.871 63.100 -0.005 0.000 0.809 99 P CB -1.103 30.594 31.700 -0.004 0.000 1.017 100 P HA 0.255 nan 4.420 nan 0.000 0.287 100 P C 0.715 177.998 177.300 -0.030 0.000 1.281 100 P CA 0.821 63.909 63.100 -0.019 0.000 0.781 100 P CB 0.352 32.046 31.700 -0.010 0.000 0.903 101 G N 2.569 111.348 108.800 -0.035 0.000 2.231 101 G HA2 -0.154 3.806 3.960 0.001 0.000 0.206 101 G HA3 -0.154 3.806 3.960 0.001 0.000 0.206 101 G C -0.345 174.523 174.900 -0.054 0.000 0.996 101 G CA -0.522 44.554 45.100 -0.041 0.000 0.645 101 G HN 0.431 nan 8.290 nan 0.000 0.498 102 L N 1.823 123.009 121.223 -0.062 0.000 2.295 102 L HA 0.536 4.877 4.340 0.001 0.000 0.281 102 L C 0.026 176.855 176.870 -0.069 0.000 1.018 102 L CA -0.798 53.993 54.840 -0.082 0.000 0.841 102 L CB 1.400 43.387 42.059 -0.120 0.000 1.218 102 L HN 0.007 nan 8.230 nan 0.000 0.424 103 D N 1.610 121.972 120.400 -0.063 0.000 2.482 103 D HA 0.156 4.796 4.640 0.001 0.000 0.251 103 D C 0.454 176.723 176.300 -0.052 0.000 1.073 103 D CA 0.388 54.357 54.000 -0.051 0.000 0.892 103 D CB 0.900 41.673 40.800 -0.044 0.000 1.202 103 D HN 0.391 nan 8.370 nan 0.000 0.496 104 R N 0.513 120.976 120.500 -0.061 0.000 2.621 104 R HA 0.765 5.105 4.340 0.001 0.000 0.292 104 R C -0.869 175.393 176.300 -0.065 0.000 0.969 104 R CA -0.653 55.413 56.100 -0.058 0.000 0.887 104 R CB 2.683 32.949 30.300 -0.058 0.000 1.180 104 R HN -0.085 nan 8.270 nan 0.000 0.450 105 A N 2.333 125.122 122.820 -0.052 0.000 2.356 105 A HA 0.699 5.019 4.320 0.001 0.000 0.323 105 A C -1.465 176.098 177.584 -0.036 0.000 1.119 105 A CA -0.670 51.337 52.037 -0.051 0.000 0.790 105 A CB 1.394 20.368 19.000 -0.044 0.000 1.273 105 A HN 0.519 nan 8.150 nan 0.000 0.452 106 L N 1.839 123.040 121.223 -0.036 0.000 2.356 106 L HA 0.611 4.952 4.340 0.001 0.000 0.277 106 L C -1.280 175.580 176.870 -0.016 0.000 0.996 106 L CA -0.248 54.585 54.840 -0.011 0.000 0.822 106 L CB 1.230 43.288 42.059 -0.002 0.000 1.256 106 L HN 0.582 nan 8.230 nan 0.000 0.413 107 L N 6.735 127.956 121.223 -0.003 0.000 2.262 107 L HA 0.475 4.816 4.340 0.001 0.000 0.288 107 L C -0.232 176.652 176.870 0.023 0.000 1.035 107 L CA -0.241 54.599 54.840 0.000 0.000 0.820 107 L CB 0.859 42.913 42.059 -0.007 0.000 1.204 107 L HN 0.658 nan 8.230 nan 0.000 0.424 108 L N 0.977 122.217 121.223 0.029 0.000 2.670 108 L HA 0.545 4.886 4.340 0.001 0.000 0.251 108 L C 0.919 177.826 176.870 0.062 0.000 1.548 108 L CA -0.349 54.532 54.840 0.068 0.000 1.643 108 L CB 1.280 43.383 42.059 0.073 0.000 2.174 108 L HN 0.475 nan 8.230 nan 0.000 0.585 109 S N -1.860 113.887 115.700 0.077 0.000 2.807 109 S HA 0.099 4.569 4.470 0.001 0.000 0.247 109 S C 0.300 174.924 174.600 0.039 0.000 1.078 109 S CA 0.300 58.527 58.200 0.045 0.000 0.867 109 S CB 0.722 63.947 63.200 0.042 0.000 0.797 109 S HN 0.797 nan 8.310 nan 0.000 0.515 110 T N -1.190 113.400 114.554 0.061 0.000 2.930 110 T HA 0.649 5.000 4.350 0.001 0.000 0.290 110 T C 1.302 176.039 174.700 0.062 0.000 1.052 110 T CA -0.066 62.069 62.100 0.059 0.000 1.017 110 T CB 1.454 70.361 68.868 0.065 0.000 1.137 110 T HN 0.057 nan 8.240 nan 0.000 0.511 111 G N 0.423 109.267 108.800 0.074 0.000 2.446 111 G HA2 -0.017 3.944 3.960 0.001 0.000 0.217 111 G HA3 -0.017 3.944 3.960 0.001 0.000 0.217 111 G C 1.688 176.634 174.900 0.077 0.000 1.168 111 G CA 0.927 46.078 45.100 0.085 0.000 0.771 111 G HN 1.149 nan 8.290 nan 0.000 0.551 112 A N 0.455 123.323 122.820 0.081 0.000 1.902 112 A HA -0.009 4.312 4.320 0.001 0.000 0.217 112 A C 2.132 179.749 177.584 0.055 0.000 1.181 112 A CA 1.997 54.066 52.037 0.053 0.000 0.623 112 A CB -0.492 18.533 19.000 0.043 0.000 0.818 112 A HN 0.464 nan 8.150 nan 0.000 0.443 113 E N 0.297 120.547 120.200 0.084 0.000 2.023 113 E HA -0.228 4.122 4.350 0.001 0.000 0.196 113 E C 2.379 178.972 176.600 -0.011 0.000 1.003 113 E CA 1.967 58.446 56.400 0.131 0.000 0.809 113 E CB -0.161 29.634 29.700 0.159 0.000 0.755 113 E HN 0.756 nan 8.360 nan 0.000 0.449 114 S N 1.062 116.743 115.700 -0.032 0.000 2.359 114 S HA -0.227 4.244 4.470 0.001 0.000 0.223 114 S C 1.715 176.245 174.600 -0.117 0.000 1.039 114 S CA 1.595 59.736 58.200 -0.100 0.000 1.042 114 S CB -0.646 62.532 63.200 -0.037 0.000 0.915 114 S HN 0.259 nan 8.310 nan 0.000 0.439 115 N N 1.762 120.434 118.700 -0.048 0.000 2.166 115 N HA -0.067 4.674 4.740 0.001 0.000 0.186 115 N C 1.795 177.263 175.510 -0.070 0.000 1.019 115 N CA 1.424 54.439 53.050 -0.058 0.000 0.856 115 N CB -0.465 38.003 38.487 -0.033 0.000 0.993 115 N HN 0.608 nan 8.380 nan 0.000 0.426 116 E N 1.221 121.402 120.200 -0.033 0.000 2.077 116 E HA -0.084 4.266 4.350 0.001 0.000 0.193 116 E C 1.988 178.571 176.600 -0.028 0.000 0.989 116 E CA 0.822 57.250 56.400 0.046 0.000 0.800 116 E CB -0.191 29.634 29.700 0.209 0.000 0.746 116 E HN 0.321 nan 8.360 nan 0.000 0.452 117 A N 1.850 124.414 122.820 -0.427 0.000 1.865 117 A HA -0.158 4.162 4.320 0.001 0.000 0.217 117 A C 2.479 179.957 177.584 -0.177 0.000 1.191 117 A CA 2.298 53.897 52.037 -0.731 0.000 0.623 117 A CB -0.743 17.583 19.000 -1.123 0.000 0.826 117 A HN 0.287 nan 8.150 nan 0.000 0.444 118 A N -0.220 122.499 122.820 -0.168 0.000 1.883 118 A HA -0.119 4.202 4.320 0.001 0.000 0.217 118 A C 2.166 179.727 177.584 -0.039 0.000 1.186 118 A CA 1.647 53.624 52.037 -0.100 0.000 0.624 118 A CB -0.649 18.291 19.000 -0.099 0.000 0.822 118 A HN 0.512 nan 8.150 nan 0.000 0.444 119 I N -1.133 119.421 120.570 -0.027 0.000 2.226 119 I HA -0.245 3.926 4.170 0.001 0.000 0.245 119 I C 2.746 178.903 176.117 0.068 0.000 1.100 119 I CA 1.634 62.936 61.300 0.004 0.000 1.374 119 I CB -0.321 37.674 38.000 -0.008 0.000 1.057 119 I HN 0.390 nan 8.210 nan 0.000 0.413 120 R N 0.971 121.549 120.500 0.131 0.000 2.096 120 R HA -0.217 4.124 4.340 0.001 0.000 0.235 120 R C 2.386 178.845 176.300 0.265 0.000 1.127 120 R CA 1.580 57.808 56.100 0.212 0.000 0.968 120 R CB -0.230 30.252 30.300 0.304 0.000 0.861 120 R HN 0.299 nan 8.270 nan 0.000 0.440 121 M N 0.037 119.800 119.600 0.273 0.000 2.108 121 M HA -0.155 4.326 4.480 0.001 0.000 0.261 121 M C 2.101 178.413 176.300 0.020 0.000 1.066 121 M CA 2.095 57.442 55.300 0.079 0.000 1.107 121 M CB -0.107 32.340 32.600 -0.255 0.000 1.356 121 M HN 0.307 nan 8.290 nan 0.000 0.406 122 A N 0.279 123.109 122.820 0.017 0.000 1.930 122 A HA -0.162 4.158 4.320 0.001 0.000 0.217 122 A C 2.044 179.650 177.584 0.038 0.000 1.175 122 A CA 1.673 53.715 52.037 0.010 0.000 0.627 122 A CB -0.504 18.498 19.000 0.003 0.000 0.815 122 A HN 0.551 nan 8.150 nan 0.000 0.443 123 K N -0.901 119.540 120.400 0.069 0.000 2.057 123 K HA -0.082 4.239 4.320 0.001 0.000 0.206 123 K C 1.941 178.596 176.600 0.092 0.000 1.050 123 K CA 1.252 57.591 56.287 0.088 0.000 0.935 123 K CB -0.366 32.201 32.500 0.112 0.000 0.715 123 K HN 0.396 nan 8.250 nan 0.000 0.439 124 L N 1.382 122.674 121.223 0.114 0.000 1.961 124 L HA -0.165 4.176 4.340 0.001 0.000 0.210 124 L C 2.213 179.127 176.870 0.074 0.000 1.072 124 L CA 1.651 56.563 54.840 0.119 0.000 0.749 124 L CB -0.760 41.422 42.059 0.205 0.000 0.889 124 L HN 0.087 nan 8.230 nan 0.000 0.432 125 V N -2.714 117.229 119.914 0.047 0.000 2.720 125 V HA -0.151 3.970 4.120 0.001 0.000 0.256 125 V C 2.113 178.218 176.094 0.019 0.000 1.082 125 V CA 1.999 64.312 62.300 0.021 0.000 1.101 125 V CB -1.892 29.926 31.823 -0.008 0.000 0.693 125 V HN 0.732 nan 8.190 nan 0.000 0.479 126 T N -3.368 111.201 114.554 0.025 0.000 3.037 126 T HA 0.371 4.722 4.350 0.001 0.000 0.252 126 T C 1.790 176.507 174.700 0.028 0.000 1.073 126 T CA 0.790 62.901 62.100 0.018 0.000 1.091 126 T CB 0.098 68.973 68.868 0.013 0.000 0.935 126 T HN 1.597 nan 8.240 nan 0.000 0.488 127 G N 1.476 110.303 108.800 0.046 0.000 2.179 127 G HA2 -0.257 3.704 3.960 0.001 0.000 0.257 127 G HA3 -0.257 3.704 3.960 0.001 0.000 0.257 127 G C -0.097 174.849 174.900 0.076 0.000 1.010 127 G CA 0.652 45.787 45.100 0.059 0.000 0.736 127 G HN 0.711 nan 8.290 nan 0.000 0.513 128 K N -1.998 118.441 120.400 0.066 0.000 2.331 128 K HA 0.757 5.078 4.320 0.001 0.000 0.238 128 K C 0.397 177.054 176.600 0.096 0.000 1.058 128 K CA -0.520 55.792 56.287 0.043 0.000 0.871 128 K CB 0.941 33.406 32.500 -0.058 0.000 1.292 128 K HN 0.383 nan 8.250 nan 0.000 0.470 129 Y N -2.142 118.181 120.300 0.037 0.000 2.590 129 Y HA 0.420 4.970 4.550 0.001 0.000 0.263 129 Y C -0.579 175.344 175.900 0.038 0.000 1.069 129 Y CA -0.691 57.427 58.100 0.031 0.000 1.242 129 Y CB 0.185 38.658 38.460 0.021 0.000 1.357 129 Y HN 0.359 nan 8.280 nan 0.000 0.556 130 E N 3.018 122.998 120.200 -0.366 0.000 2.344 130 E HA 0.318 4.669 4.350 0.001 0.000 0.270 130 E C -0.543 176.068 176.600 0.018 0.000 1.021 130 E CA -0.103 56.241 56.400 -0.094 0.000 0.887 130 E CB 1.218 30.880 29.700 -0.064 0.000 0.997 130 E HN 0.211 nan 8.360 nan 0.000 0.429 131 I N 3.105 123.714 120.570 0.064 0.000 2.509 131 I HA 0.345 4.516 4.170 0.001 0.000 0.293 131 I C -0.391 175.713 176.117 -0.022 0.000 1.020 131 I CA -0.885 60.415 61.300 0.000 0.000 1.088 131 I CB 1.610 39.593 38.000 -0.029 0.000 1.267 131 I HN 0.245 nan 8.210 nan 0.000 0.430 132 V N 4.265 124.052 119.914 -0.212 0.000 2.540 132 V HA 0.876 4.996 4.120 0.001 0.000 0.302 132 V C 0.383 175.838 176.094 -1.064 0.000 1.035 132 V CA -0.369 61.657 62.300 -0.457 0.000 0.873 132 V CB 1.822 33.383 31.823 -0.437 0.000 0.992 132 V HN 0.997 nan 8.190 nan 0.000 0.428 133 G N 1.907 110.201 108.800 -0.844 0.000 3.015 133 G HA2 0.741 4.702 3.960 0.001 0.000 0.281 133 G HA3 0.741 4.702 3.960 0.001 0.000 0.281 133 G C -1.553 172.987 174.900 -0.600 0.000 1.386 133 G CA -0.648 43.949 45.100 -0.839 0.000 0.959 133 G HN 0.280 nan 8.290 nan 0.000 0.522 134 F N 0.228 120.169 119.950 -0.015 0.000 2.375 134 F HA 0.516 5.044 4.527 0.001 0.000 0.333 134 F C 1.529 177.304 175.800 -0.041 0.000 1.104 134 F CA -0.398 57.641 58.000 0.064 0.000 1.149 134 F CB 1.872 40.977 39.000 0.175 0.000 1.190 134 F HN 0.482 nan 8.300 nan 0.000 0.533 135 A N 1.626 124.561 122.820 0.191 0.000 2.239 135 A HA -0.032 4.288 4.320 0.001 0.000 0.209 135 A C 1.040 178.742 177.584 0.196 0.000 1.171 135 A CA 0.660 52.740 52.037 0.072 0.000 0.768 135 A CB -0.619 18.404 19.000 0.038 0.000 0.790 135 A HN 0.678 nan 8.150 nan 0.000 0.478 136 Q N 0.252 120.176 119.800 0.207 0.000 2.089 136 Q HA 0.174 4.515 4.340 0.001 0.000 0.248 136 Q C 0.031 176.139 176.000 0.179 0.000 0.828 136 Q CA 0.255 56.147 55.803 0.149 0.000 1.102 136 Q CB -0.725 28.023 28.738 0.017 0.000 1.221 136 Q HN 0.504 nan 8.270 nan 0.000 0.455 137 S N 0.145 116.013 115.700 0.281 0.000 2.624 137 S HA 0.460 4.931 4.470 0.001 0.000 0.263 137 S C -0.479 174.205 174.600 0.139 0.000 1.287 137 S CA -0.468 57.851 58.200 0.199 0.000 0.990 137 S CB 1.307 64.682 63.200 0.291 0.000 0.950 137 S HN 0.503 nan 8.310 nan 0.000 0.561 138 W N 1.765 122.877 121.300 -0.314 0.000 2.968 138 W HA 0.361 5.021 4.660 0.001 0.000 0.337 138 W C -1.024 175.198 176.519 -0.494 0.000 1.060 138 W CA -0.461 56.721 57.345 -0.272 0.000 1.240 138 W CB 1.352 30.729 29.460 -0.138 0.000 1.370 138 W HN 0.964 nan 8.180 nan 0.000 0.459 139 H N 2.947 121.746 119.070 -0.451 0.000 3.241 139 H HA 0.337 4.894 4.556 0.001 0.000 0.260 139 H C 0.949 176.076 175.328 -0.335 0.000 1.084 139 H CA 0.815 56.714 56.048 -0.249 0.000 1.203 139 H CB 2.089 31.767 29.762 -0.141 0.000 1.524 139 H HN 0.532 nan 8.280 nan 0.000 0.521 140 G N 0.170 108.548 108.800 -0.703 0.000 2.361 140 G HA2 -0.009 3.952 3.960 0.001 0.000 0.305 140 G HA3 -0.009 3.952 3.960 0.001 0.000 0.305 140 G C 0.141 174.764 174.900 -0.462 0.000 1.367 140 G CA -0.480 44.415 45.100 -0.342 0.000 0.951 140 G HN -0.100 nan 8.290 nan 0.000 0.615 141 M N 0.642 120.149 119.600 -0.154 0.000 2.476 141 M HA 0.135 4.616 4.480 0.001 0.000 0.262 141 M C 1.836 178.078 176.300 -0.096 0.000 1.111 141 M CA 1.356 56.590 55.300 -0.111 0.000 1.127 141 M CB -0.787 31.839 32.600 0.044 0.000 1.376 141 M HN 0.875 nan 8.290 nan 0.000 0.465 142 T N -1.479 113.034 114.554 -0.068 0.000 2.899 142 T HA 0.479 4.829 4.350 0.001 0.000 0.295 142 T C 1.504 176.167 174.700 -0.061 0.000 1.033 142 T CA -0.024 62.051 62.100 -0.042 0.000 1.084 142 T CB 1.507 70.376 68.868 0.002 0.000 0.979 142 T HN 0.413 nan 8.240 nan 0.000 0.532 143 G N 2.218 110.991 108.800 -0.044 0.000 3.824 143 G HA2 -0.365 3.595 3.960 0.001 0.000 0.280 143 G HA3 -0.365 3.595 3.960 0.001 0.000 0.280 143 G C 1.633 176.493 174.900 -0.067 0.000 0.963 143 G CA 2.000 47.071 45.100 -0.048 0.000 0.865 143 G HN 1.527 nan 8.290 nan 0.000 1.379 144 A N -0.038 122.757 122.820 -0.042 0.000 1.929 144 A HA 0.450 4.771 4.320 0.001 0.000 0.216 144 A C 2.856 180.389 177.584 -0.086 0.000 1.176 144 A CA 2.229 54.235 52.037 -0.052 0.000 0.628 144 A CB -0.705 18.286 19.000 -0.014 0.000 0.816 144 A HN 1.502 nan 8.150 nan 0.000 0.444 145 A N -0.003 122.768 122.820 -0.081 0.000 1.930 145 A HA 0.195 4.516 4.320 0.001 0.000 0.217 145 A C 2.430 179.899 177.584 -0.192 0.000 1.175 145 A CA 1.866 53.839 52.037 -0.106 0.000 0.627 145 A CB -0.847 18.102 19.000 -0.084 0.000 0.815 145 A HN 0.979 nan 8.150 nan 0.000 0.443 146 A N -0.698 121.991 122.820 -0.219 0.000 1.969 146 A HA -0.002 4.318 4.320 0.001 0.000 0.218 146 A C 2.342 179.742 177.584 -0.308 0.000 1.169 146 A CA 1.765 53.619 52.037 -0.305 0.000 0.635 146 A CB -0.681 18.174 19.000 -0.242 0.000 0.810 146 A HN 0.422 nan 8.150 nan 0.000 0.445 147 S N -0.321 115.238 115.700 -0.235 0.000 2.419 147 S HA 0.029 4.499 4.470 0.001 0.000 0.233 147 S C 1.823 176.207 174.600 -0.360 0.000 1.016 147 S CA 1.012 59.056 58.200 -0.259 0.000 0.974 147 S CB -0.186 62.922 63.200 -0.153 0.000 0.786 147 S HN 0.765 nan 8.310 nan 0.000 0.492 148 A N 0.708 123.377 122.820 -0.252 0.000 2.345 148 A HA 0.292 4.613 4.320 0.001 0.000 0.225 148 A C 0.643 178.192 177.584 -0.058 0.000 1.243 148 A CA -0.063 51.924 52.037 -0.082 0.000 0.875 148 A CB 0.086 19.067 19.000 -0.031 0.000 0.929 148 A HN 0.275 nan 8.150 nan 0.000 0.502 149 T N -0.092 114.237 114.554 -0.375 0.000 2.733 149 T HA 0.424 4.775 4.350 0.001 0.000 0.294 149 T C -0.090 174.394 174.700 -0.361 0.000 0.956 149 T CA 0.146 62.083 62.100 -0.271 0.000 0.987 149 T CB 0.307 68.875 68.868 -0.500 0.000 0.920 149 T HN 0.350 nan 8.240 nan 0.000 0.470 150 Y N 0.588 120.913 120.300 0.042 0.000 2.426 150 Y HA 0.107 4.657 4.550 0.001 0.000 0.249 150 Y C 2.562 178.522 175.900 0.099 0.000 1.103 150 Y CA -0.318 57.820 58.100 0.063 0.000 1.256 150 Y CB 0.120 38.623 38.460 0.072 0.000 1.208 150 Y HN 0.680 nan 8.280 nan 0.000 0.519 151 S N 0.034 115.892 115.700 0.264 0.000 2.419 151 S HA 0.284 4.754 4.470 0.001 0.000 0.233 151 S C 0.945 175.667 174.600 0.203 0.000 1.016 151 S CA 0.636 58.966 58.200 0.217 0.000 0.974 151 S CB -0.114 63.225 63.200 0.232 0.000 0.786 151 S HN 0.286 nan 8.310 nan 0.000 0.492 152 A N -1.372 121.590 122.820 0.237 0.000 2.457 152 A HA 0.639 4.960 4.320 0.001 0.000 0.305 152 A C 0.838 178.510 177.584 0.147 0.000 1.110 152 A CA -0.141 52.016 52.037 0.199 0.000 0.616 152 A CB -0.524 18.625 19.000 0.249 0.000 1.371 152 A HN 1.460 nan 8.150 nan 0.000 0.525 153 G N -0.776 108.099 108.800 0.125 0.000 2.189 153 G HA2 -0.301 3.660 3.960 0.001 0.000 0.267 153 G HA3 -0.301 3.660 3.960 0.001 0.000 0.267 153 G C 0.857 175.744 174.900 -0.022 0.000 0.975 153 G CA 1.174 46.309 45.100 0.059 0.000 0.644 153 G HN 0.884 nan 8.290 nan 0.000 0.537 154 R N 0.016 120.497 120.500 -0.033 0.000 2.235 154 R HA 0.070 4.411 4.340 0.001 0.000 0.213 154 R C 0.980 177.259 176.300 -0.035 0.000 1.059 154 R CA 0.795 56.855 56.100 -0.066 0.000 0.997 154 R CB 0.010 30.269 30.300 -0.068 0.000 0.884 154 R HN 0.364 nan 8.270 nan 0.000 0.462 155 K N -0.287 120.108 120.400 -0.009 0.000 2.098 155 K HA 0.296 4.616 4.320 0.001 0.000 0.258 155 K C 0.693 177.291 176.600 -0.003 0.000 0.973 155 K CA 0.123 56.408 56.287 -0.003 0.000 0.898 155 K CB 1.550 34.056 32.500 0.009 0.000 1.057 155 K HN 0.117 nan 8.250 nan 0.000 0.447 156 G N 0.051 108.849 108.800 -0.004 0.000 2.189 156 G HA2 -0.287 3.674 3.960 0.001 0.000 0.267 156 G HA3 -0.287 3.674 3.960 0.001 0.000 0.267 156 G C 0.374 175.271 174.900 -0.005 0.000 0.975 156 G CA 0.651 45.749 45.100 -0.002 0.000 0.644 156 G HN 0.575 nan 8.290 nan 0.000 0.537 157 V N -2.883 117.023 119.914 -0.013 0.000 2.915 157 V HA 0.728 4.849 4.120 0.001 0.000 0.364 157 V C 1.039 177.118 176.094 -0.025 0.000 1.354 157 V CA 0.389 62.679 62.300 -0.016 0.000 1.213 157 V CB -0.136 31.676 31.823 -0.017 0.000 1.268 157 V HN 2.257 nan 8.190 nan 0.000 0.557 158 G N 1.352 110.137 108.800 -0.024 0.000 2.757 158 G HA2 -0.084 3.877 3.960 0.001 0.000 0.638 158 G HA3 -0.084 3.877 3.960 0.001 0.000 0.638 158 G C -2.310 172.568 174.900 -0.037 0.000 1.344 158 G CA -0.403 44.680 45.100 -0.028 0.000 0.855 158 G HN 0.619 nan 8.290 nan 0.000 0.537 159 P HA 0.534 nan 4.420 nan 0.000 0.269 159 P C 0.575 177.837 177.300 -0.063 0.000 1.209 159 P CA 0.529 63.600 63.100 -0.048 0.000 0.776 159 P CB 0.660 32.333 31.700 -0.046 0.000 0.876 160 A N 2.207 124.981 122.820 -0.077 0.000 2.292 160 A HA 0.552 4.873 4.320 0.001 0.000 0.265 160 A C 0.351 177.882 177.584 -0.089 0.000 1.133 160 A CA -0.048 51.929 52.037 -0.100 0.000 0.807 160 A CB -0.458 18.466 19.000 -0.126 0.000 1.102 160 A HN 0.634 nan 8.150 nan 0.000 0.502 161 A N -0.312 122.453 122.820 -0.091 0.000 2.498 161 A HA 0.442 4.762 4.320 0.001 0.000 0.239 161 A C 0.428 177.970 177.584 -0.070 0.000 1.068 161 A CA -0.229 51.765 52.037 -0.072 0.000 0.766 161 A CB -0.523 18.444 19.000 -0.056 0.000 1.003 161 A HN 1.191 nan 8.150 nan 0.000 0.497 162 V N 2.030 121.903 119.914 -0.067 0.000 2.720 162 V HA 0.323 4.444 4.120 0.001 0.000 0.307 162 V C 1.635 177.759 176.094 0.051 0.000 1.071 162 V CA 1.759 64.026 62.300 -0.055 0.000 1.199 162 V CB 0.014 31.756 31.823 -0.136 0.000 0.900 162 V HN 2.086 nan 8.190 nan 0.000 0.494 163 G N 3.575 112.394 108.800 0.031 0.000 2.137 163 G HA2 -0.223 3.738 3.960 0.001 0.000 0.237 163 G HA3 -0.223 3.738 3.960 0.001 0.000 0.237 163 G C 0.169 174.953 174.900 -0.193 0.000 1.002 163 G CA 0.085 45.218 45.100 0.055 0.000 0.702 163 G HN 0.801 nan 8.290 nan 0.000 0.515 164 S N -0.169 115.321 115.700 -0.350 0.000 2.489 164 S HA 0.803 5.273 4.470 0.001 0.000 0.277 164 S C -0.402 173.845 174.600 -0.589 0.000 1.230 164 S CA -0.090 57.947 58.200 -0.272 0.000 1.053 164 S CB 0.842 63.967 63.200 -0.125 0.000 0.955 164 S HN 0.350 nan 8.310 nan 0.000 0.488 165 F N 0.690 120.666 119.950 0.043 0.000 2.613 165 F HA 0.767 5.295 4.527 0.001 0.000 0.314 165 F C 0.183 175.784 175.800 -0.331 0.000 1.075 165 F CA -0.887 57.057 58.000 -0.094 0.000 0.945 165 F CB 1.673 40.578 39.000 -0.160 0.000 1.310 165 F HN 0.620 nan 8.300 nan 0.000 0.467 166 A N 1.527 124.181 122.820 -0.277 0.000 2.515 166 A HA 0.974 5.294 4.320 0.001 0.000 0.296 166 A C -1.278 176.160 177.584 -0.243 0.000 1.094 166 A CA -0.693 50.978 52.037 -0.610 0.000 0.718 166 A CB 1.660 19.917 19.000 -1.238 0.000 1.307 166 A HN 0.807 nan 8.150 nan 0.000 0.408 167 I N -2.427 118.085 120.570 -0.097 0.000 3.074 167 I HA 0.746 4.917 4.170 0.001 0.000 0.310 167 I C -3.025 173.235 176.117 0.238 0.000 1.153 167 I CA -2.968 58.375 61.300 0.073 0.000 0.993 167 I CB 2.187 40.251 38.000 0.106 0.000 1.237 167 I HN 0.249 nan 8.210 nan 0.000 0.443 168 P HA 0.272 nan 4.420 nan 0.000 0.275 168 P C -0.779 176.694 177.300 0.288 0.000 1.227 168 P CA -0.177 63.061 63.100 0.231 0.000 0.781 168 P CB 0.830 32.646 31.700 0.194 0.000 0.906 169 A N 5.042 127.903 122.820 0.067 0.000 2.388 169 A HA 0.429 4.749 4.320 0.001 0.000 0.257 169 A C -2.019 175.425 177.584 -0.232 0.000 1.095 169 A CA -1.405 50.364 52.037 -0.446 0.000 0.791 169 A CB -0.812 17.765 19.000 -0.705 0.000 1.029 169 A HN 0.427 nan 8.150 nan 0.000 0.489 170 P HA 0.135 nan 4.420 nan 0.000 0.271 170 P C -1.215 176.087 177.300 0.004 0.000 1.233 170 P CA 0.355 63.339 63.100 -0.193 0.000 0.764 170 P CB 0.245 31.483 31.700 -0.770 0.000 0.825 171 F N 4.516 124.514 119.950 0.080 0.000 2.646 171 F HA 0.192 4.719 4.527 0.001 0.000 0.364 171 F C 1.374 177.170 175.800 -0.006 0.000 1.137 171 F CA -1.007 56.985 58.000 -0.014 0.000 1.085 171 F CB 0.678 39.641 39.000 -0.063 0.000 1.331 171 F HN 0.250 nan 8.300 nan 0.000 0.472 172 T N 2.060 116.733 114.554 0.198 0.000 2.788 172 T HA -0.246 4.105 4.350 0.001 0.000 0.268 172 T C 1.749 176.317 174.700 -0.220 0.000 1.044 172 T CA 1.528 63.668 62.100 0.066 0.000 1.139 172 T CB -0.748 68.223 68.868 0.172 0.000 0.867 172 T HN 0.546 nan 8.240 nan 0.000 0.454 173 Y N 3.296 123.220 120.300 -0.627 0.000 2.274 173 Y HA 0.135 4.686 4.550 0.001 0.000 0.290 173 Y C 1.056 176.426 175.900 -0.884 0.000 1.145 173 Y CA 0.408 58.085 58.100 -0.706 0.000 1.203 173 Y CB -0.043 38.062 38.460 -0.593 0.000 0.984 173 Y HN 0.225 nan 8.280 nan 0.000 0.533 174 R N 1.204 120.811 120.500 -1.489 0.000 2.639 174 R HA 0.279 4.619 4.340 0.001 0.000 0.273 174 R C -2.826 173.069 176.300 -0.676 0.000 1.732 174 R CA -1.765 53.740 56.100 -0.992 0.000 1.586 174 R CB 0.828 30.638 30.300 -0.815 0.000 1.263 174 R HN 0.068 nan 8.270 nan 0.000 0.615 175 P HA 0.167 nan 4.420 nan 0.000 0.276 175 P C -0.186 176.843 177.300 -0.451 0.000 1.230 175 P CA -0.335 62.229 63.100 -0.894 0.000 0.776 175 P CB 1.203 32.255 31.700 -1.079 0.000 0.888 176 R N 1.376 121.727 120.500 -0.249 0.000 2.566 176 R HA 0.270 4.611 4.340 0.001 0.000 0.388 176 R C -0.599 175.768 176.300 0.112 0.000 0.989 176 R CA -0.149 55.931 56.100 -0.032 0.000 1.164 176 R CB 0.477 30.788 30.300 0.018 0.000 1.459 176 R HN 0.390 nan 8.270 nan 0.000 0.553 177 F N 2.187 122.203 119.950 0.110 0.000 2.577 177 F HA 0.266 4.794 4.527 0.001 0.000 0.344 177 F C -0.453 175.462 175.800 0.192 0.000 1.145 177 F CA -0.763 57.317 58.000 0.134 0.000 0.996 177 F CB 1.262 40.365 39.000 0.172 0.000 1.248 177 F HN -0.141 nan 8.300 nan 0.000 0.447 178 E N 5.369 125.498 120.200 -0.119 0.000 2.166 178 E HA 0.518 4.869 4.350 0.001 0.000 0.275 178 E C -1.189 175.356 176.600 -0.092 0.000 0.941 178 E CA -0.938 55.450 56.400 -0.020 0.000 0.784 178 E CB 1.195 30.869 29.700 -0.044 0.000 1.115 178 E HN 0.465 nan 8.360 nan 0.000 0.399 179 R N 2.809 123.317 120.500 0.013 0.000 2.435 179 R HA 0.294 4.635 4.340 0.001 0.000 0.308 179 R C -1.122 175.178 176.300 0.001 0.000 0.975 179 R CA -0.557 55.543 56.100 0.001 0.000 0.867 179 R CB 0.101 30.436 30.300 0.059 0.000 1.171 179 R HN 0.857 nan 8.270 nan 0.000 0.470 180 N N 2.218 120.910 118.700 -0.014 0.000 2.699 180 N HA -0.211 4.529 4.740 0.001 0.000 0.257 180 N C 0.205 175.713 175.510 -0.003 0.000 1.077 180 N CA 0.470 53.515 53.050 -0.009 0.000 0.702 180 N CB -0.482 38.002 38.487 -0.004 0.000 0.886 180 N HN 0.998 nan 8.380 nan 0.000 0.549 181 G N -1.047 107.747 108.800 -0.009 0.000 2.296 181 G HA2 -0.044 3.916 3.960 0.001 0.000 0.282 181 G HA3 -0.044 3.916 3.960 0.001 0.000 0.282 181 G C 0.175 175.086 174.900 0.018 0.000 1.014 181 G CA 0.831 45.930 45.100 -0.001 0.000 0.812 181 G HN 1.221 nan 8.290 nan 0.000 0.508 182 A N -1.659 121.182 122.820 0.035 0.000 2.610 182 A HA 0.601 4.922 4.320 0.001 0.000 0.291 182 A C -0.771 176.898 177.584 0.141 0.000 1.086 182 A CA -0.619 51.462 52.037 0.074 0.000 0.677 182 A CB 0.725 19.757 19.000 0.053 0.000 1.278 182 A HN 1.323 nan 8.150 nan 0.000 0.414 183 Y N 1.972 122.295 120.300 0.039 0.000 2.624 183 Y HA 0.348 4.899 4.550 0.001 0.000 0.354 183 Y C -0.139 175.806 175.900 0.076 0.000 1.051 183 Y CA -0.457 57.698 58.100 0.092 0.000 1.377 183 Y CB 0.286 38.822 38.460 0.127 0.000 1.168 183 Y HN 0.565 nan 8.280 nan 0.000 0.525 184 D N 5.999 126.408 120.400 0.014 0.000 2.500 184 D HA 0.001 4.642 4.640 0.001 0.000 0.219 184 D C 0.401 176.499 176.300 -0.337 0.000 1.137 184 D CA -0.363 53.519 54.000 -0.197 0.000 0.946 184 D CB -0.140 40.670 40.800 0.016 0.000 1.022 184 D HN 0.649 nan 8.370 nan 0.000 0.518 185 Y N 1.488 121.411 120.300 -0.628 0.000 2.561 185 Y HA 0.063 4.614 4.550 0.001 0.000 0.291 185 Y C 1.303 177.116 175.900 -0.145 0.000 1.141 185 Y CA -0.060 57.675 58.100 -0.608 0.000 1.303 185 Y CB -0.212 37.789 38.460 -0.764 0.000 1.015 185 Y HN 0.192 nan 8.280 nan 0.000 0.547 186 L N 0.872 121.966 121.223 -0.216 0.000 2.209 186 L HA 0.221 4.561 4.340 0.001 0.000 0.207 186 L C 2.451 179.274 176.870 -0.078 0.000 1.094 186 L CA 1.120 55.921 54.840 -0.065 0.000 0.790 186 L CB -1.304 40.644 42.059 -0.185 0.000 0.932 186 L HN 0.388 nan 8.230 nan 0.000 0.447 187 A N -1.302 121.459 122.820 -0.098 0.000 2.067 187 A HA -0.155 4.166 4.320 0.001 0.000 0.217 187 A C 2.261 179.691 177.584 -0.257 0.000 1.156 187 A CA 1.109 53.125 52.037 -0.035 0.000 0.683 187 A CB -0.342 18.740 19.000 0.137 0.000 0.808 187 A HN 0.456 nan 8.150 nan 0.000 0.455 188 E N -0.107 119.814 120.200 -0.465 0.000 2.072 188 E HA -0.138 4.213 4.350 0.001 0.000 0.191 188 E C 1.910 178.357 176.600 -0.255 0.000 0.985 188 E CA 0.839 56.704 56.400 -0.891 0.000 0.801 188 E CB -0.169 29.295 29.700 -0.394 0.000 0.750 188 E HN 0.584 nan 8.360 nan 0.000 0.452 189 L N 1.053 122.279 121.223 0.005 0.000 2.042 189 L HA -0.226 4.115 4.340 0.001 0.000 0.210 189 L C 1.711 178.671 176.870 0.151 0.000 1.076 189 L CA 1.741 56.671 54.840 0.149 0.000 0.749 189 L CB -0.337 41.748 42.059 0.043 0.000 0.893 189 L HN 0.212 nan 8.230 nan 0.000 0.432 190 D N -1.069 119.361 120.400 0.050 0.000 2.097 190 D HA -0.256 4.384 4.640 0.001 0.000 0.197 190 D C 1.849 178.232 176.300 0.138 0.000 0.984 190 D CA 1.444 55.488 54.000 0.074 0.000 0.826 190 D CB -0.339 40.484 40.800 0.037 0.000 0.973 190 D HN 0.449 nan 8.370 nan 0.000 0.460 191 Y N 1.479 121.748 120.300 -0.051 0.000 2.181 191 Y HA -0.186 4.364 4.550 0.001 0.000 0.288 191 Y C 2.267 178.173 175.900 0.010 0.000 1.146 191 Y CA 1.838 59.929 58.100 -0.014 0.000 1.164 191 Y CB -0.078 38.341 38.460 -0.068 0.000 0.982 191 Y HN -0.055 nan 8.280 nan 0.000 0.515 192 A N 0.148 123.095 122.820 0.212 0.000 1.858 192 A HA -0.203 4.117 4.320 0.001 0.000 0.216 192 A C 2.054 179.624 177.584 -0.024 0.000 1.190 192 A CA 1.763 53.869 52.037 0.115 0.000 0.617 192 A CB -1.525 17.558 19.000 0.138 0.000 0.827 192 A HN 0.557 nan 8.150 nan 0.000 0.443 193 F N 0.849 120.789 119.950 -0.016 0.000 2.161 193 F HA -0.209 4.319 4.527 0.001 0.000 0.300 193 F C 2.080 177.821 175.800 -0.098 0.000 1.089 193 F CA 1.956 59.922 58.000 -0.056 0.000 1.282 193 F CB -0.154 38.812 39.000 -0.056 0.000 1.010 193 F HN 0.263 nan 8.300 nan 0.000 0.485 194 D N -0.234 120.201 120.400 0.059 0.000 2.144 194 D HA -0.154 4.487 4.640 0.001 0.000 0.199 194 D C 2.262 178.497 176.300 -0.108 0.000 0.984 194 D CA 0.878 54.858 54.000 -0.033 0.000 0.834 194 D CB -0.531 40.223 40.800 -0.077 0.000 0.955 194 D HN 0.206 nan 8.370 nan 0.000 0.465 195 L N 0.990 122.116 121.223 -0.162 0.000 2.027 195 L HA -0.110 4.231 4.340 0.001 0.000 0.206 195 L C 2.061 178.805 176.870 -0.210 0.000 1.074 195 L CA 1.207 55.941 54.840 -0.176 0.000 0.745 195 L CB -0.534 41.428 42.059 -0.161 0.000 0.898 195 L HN -0.074 nan 8.230 nan 0.000 0.433 196 I N 0.035 120.437 120.570 -0.280 0.000 2.151 196 I HA -0.312 3.859 4.170 0.001 0.000 0.243 196 I C 2.185 178.088 176.117 -0.355 0.000 1.080 196 I CA 1.546 62.565 61.300 -0.468 0.000 1.339 196 I CB -1.324 36.330 38.000 -0.576 0.000 1.039 196 I HN 0.325 nan 8.210 nan 0.000 0.409 197 D N 0.573 120.867 120.400 -0.177 0.000 2.182 197 D HA -0.165 4.475 4.640 0.001 0.000 0.201 197 D C 2.244 178.474 176.300 -0.116 0.000 0.986 197 D CA 0.898 54.836 54.000 -0.104 0.000 0.847 197 D CB -0.160 40.624 40.800 -0.027 0.000 0.942 197 D HN 0.334 nan 8.370 nan 0.000 0.467 198 R N 0.394 120.820 120.500 -0.122 0.000 2.189 198 R HA 0.006 4.346 4.340 0.001 0.000 0.218 198 R C 1.993 178.242 176.300 -0.085 0.000 1.074 198 R CA 0.524 56.571 56.100 -0.088 0.000 0.991 198 R CB -0.250 30.006 30.300 -0.073 0.000 0.883 198 R HN 0.462 nan 8.270 nan 0.000 0.457 199 Q N 0.306 120.015 119.800 -0.151 0.000 2.297 199 Q HA 0.081 4.421 4.340 0.001 0.000 0.203 199 Q C 0.835 176.801 176.000 -0.057 0.000 0.931 199 Q CA -0.037 55.715 55.803 -0.086 0.000 0.885 199 Q CB 0.134 28.823 28.738 -0.081 0.000 0.991 199 Q HN 0.030 nan 8.270 nan 0.000 0.498 200 S N 1.127 116.711 115.700 -0.192 0.000 2.553 200 S HA -0.064 4.406 4.470 0.001 0.000 0.293 200 S C 1.040 175.642 174.600 0.003 0.000 1.296 200 S CA 0.256 58.400 58.200 -0.093 0.000 1.046 200 S CB 0.536 63.648 63.200 -0.146 0.000 0.810 200 S HN 0.441 nan 8.310 nan 0.000 0.505 201 S N 2.736 118.458 115.700 0.037 0.000 2.605 201 S HA 0.366 4.836 4.470 0.001 0.000 0.217 201 S C 1.216 175.822 174.600 0.009 0.000 0.958 201 S CA 0.263 58.494 58.200 0.052 0.000 0.919 201 S CB -0.110 63.162 63.200 0.120 0.000 0.780 201 S HN 1.986 nan 8.310 nan 0.000 0.507 202 G N 1.824 110.605 108.800 -0.032 0.000 2.165 202 G HA2 -0.188 3.772 3.960 0.001 0.000 0.226 202 G HA3 -0.188 3.772 3.960 0.001 0.000 0.226 202 G C -0.092 174.764 174.900 -0.074 0.000 1.035 202 G CA -0.076 45.000 45.100 -0.041 0.000 0.744 202 G HN 0.518 nan 8.290 nan 0.000 0.501 203 N N 0.174 118.779 118.700 -0.158 0.000 2.571 203 N HA 0.187 4.927 4.740 0.001 0.000 0.298 203 N C 0.366 175.698 175.510 -0.296 0.000 1.671 203 N CA -0.252 52.633 53.050 -0.275 0.000 0.900 203 N CB 0.563 38.711 38.487 -0.565 0.000 1.365 203 N HN 0.387 nan 8.380 nan 0.000 0.493 204 L N 1.024 122.160 121.223 -0.145 0.000 2.433 204 L HA 0.228 4.569 4.340 0.001 0.000 0.275 204 L C 1.473 178.316 176.870 -0.046 0.000 1.128 204 L CA -0.114 54.680 54.840 -0.076 0.000 0.875 204 L CB 0.750 42.800 42.059 -0.016 0.000 1.171 204 L HN 0.144 nan 8.230 nan 0.000 0.463 205 A N 3.329 126.126 122.820 -0.038 0.000 1.993 205 A HA 0.701 5.022 4.320 0.001 0.000 0.207 205 A C 0.827 178.422 177.584 0.018 0.000 1.224 205 A CA 0.843 52.874 52.037 -0.009 0.000 0.749 205 A CB 0.298 19.296 19.000 -0.003 0.000 0.884 205 A HN 0.745 nan 8.150 nan 0.000 0.467 206 A N -1.902 120.937 122.820 0.031 0.000 2.601 206 A HA 0.595 4.915 4.320 0.001 0.000 0.291 206 A C -1.844 175.796 177.584 0.093 0.000 1.075 206 A CA -0.403 51.669 52.037 0.059 0.000 0.671 206 A CB 0.352 19.364 19.000 0.020 0.000 1.277 206 A HN 0.679 nan 8.150 nan 0.000 0.417 207 F N 0.752 120.693 119.950 -0.015 0.000 2.507 207 F HA 0.759 5.286 4.527 0.001 0.000 0.325 207 F C -0.537 175.213 175.800 -0.082 0.000 1.116 207 F CA -0.898 57.078 58.000 -0.041 0.000 0.930 207 F CB 1.431 40.434 39.000 0.005 0.000 1.146 207 F HN 0.617 nan 8.300 nan 0.000 0.447 208 I N 5.086 125.585 120.570 -0.117 0.000 2.474 208 I HA 0.842 5.013 4.170 0.001 0.000 0.294 208 I C -1.429 174.754 176.117 0.110 0.000 1.005 208 I CA -0.402 60.868 61.300 -0.051 0.000 1.113 208 I CB 1.343 39.135 38.000 -0.346 0.000 1.289 208 I HN 0.758 nan 8.210 nan 0.000 0.436 209 A N 5.714 128.701 122.820 0.277 0.000 2.574 209 A HA 0.550 4.870 4.320 0.001 0.000 0.297 209 A C -1.394 176.467 177.584 0.462 0.000 1.062 209 A CA -0.644 51.669 52.037 0.458 0.000 0.686 209 A CB 1.386 20.680 19.000 0.489 0.000 1.285 209 A HN 0.726 nan 8.150 nan 0.000 0.403 210 E N 2.255 122.770 120.200 0.526 0.000 2.227 210 E HA 0.348 4.698 4.350 0.001 0.000 0.282 210 E C -1.620 175.149 176.600 0.282 0.000 1.015 210 E CA -1.847 54.756 56.400 0.339 0.000 0.823 210 E CB 1.436 31.282 29.700 0.244 0.000 1.081 210 E HN 0.372 nan 8.360 nan 0.000 0.396 211 P HA -0.093 nan 4.420 nan 0.000 0.217 211 P C -0.009 177.343 177.300 0.087 0.000 1.150 211 P CA 1.329 64.522 63.100 0.154 0.000 0.832 211 P CB 0.422 32.198 31.700 0.126 0.000 0.787 212 I N -0.578 120.031 120.570 0.064 0.000 2.468 212 I HA 0.148 4.319 4.170 0.001 0.000 0.285 212 I C -0.586 175.530 176.117 -0.002 0.000 1.039 212 I CA -1.262 60.039 61.300 0.001 0.000 1.074 212 I CB 1.996 39.995 38.000 -0.002 0.000 1.228 212 I HN -0.323 nan 8.210 nan 0.000 0.436 213 L N 5.578 126.767 121.223 -0.058 0.000 2.485 213 L HA 0.086 4.426 4.340 0.001 0.000 0.279 213 L C 1.306 178.138 176.870 -0.064 0.000 1.124 213 L CA 0.812 55.623 54.840 -0.048 0.000 0.888 213 L CB 0.808 42.792 42.059 -0.126 0.000 1.217 213 L HN 0.638 nan 8.230 nan 0.000 0.464 214 S N 1.269 116.951 115.700 -0.030 0.000 2.339 214 S HA -0.084 4.386 4.470 0.001 0.000 0.213 214 S C 1.990 176.542 174.600 -0.079 0.000 1.033 214 S CA 1.171 59.340 58.200 -0.051 0.000 0.950 214 S CB 0.120 63.300 63.200 -0.034 0.000 0.893 214 S HN 0.682 nan 8.310 nan 0.000 0.492 215 S N 0.627 116.278 115.700 -0.082 0.000 2.419 215 S HA -0.029 4.441 4.470 0.001 0.000 0.235 215 S C 1.726 176.273 174.600 -0.088 0.000 1.019 215 S CA 1.139 59.258 58.200 -0.135 0.000 0.982 215 S CB -0.714 62.369 63.200 -0.196 0.000 0.789 215 S HN 0.702 nan 8.310 nan 0.000 0.490 216 G N -0.172 108.594 108.800 -0.056 0.000 2.848 216 G HA2 0.349 4.310 3.960 0.001 0.000 0.208 216 G HA3 0.349 4.310 3.960 0.001 0.000 0.208 216 G C 0.775 175.579 174.900 -0.161 0.000 1.152 216 G CA 0.391 45.443 45.100 -0.079 0.000 0.789 216 G HN 0.837 nan 8.290 nan 0.000 0.531 217 G N 0.562 109.272 108.800 -0.151 0.000 2.237 217 G HA2 -0.100 3.860 3.960 0.001 0.000 0.153 217 G HA3 -0.100 3.860 3.960 0.001 0.000 0.153 217 G C 0.347 175.145 174.900 -0.170 0.000 1.039 217 G CA -0.437 44.564 45.100 -0.164 0.000 0.719 217 G HN 0.814 nan 8.290 nan 0.000 0.491 218 I N -0.874 119.617 120.570 -0.131 0.000 7.174 218 I HA -0.217 3.954 4.170 0.001 0.000 0.126 218 I C 0.478 176.512 176.117 -0.138 0.000 1.730 218 I CA 0.663 61.904 61.300 -0.100 0.000 2.263 218 I CB -1.900 36.068 38.000 -0.053 0.000 3.407 218 I HN 0.422 nan 8.210 nan 0.000 0.233 219 I N 2.682 123.129 120.570 -0.204 0.000 2.328 219 I HA 0.257 4.427 4.170 0.001 0.000 0.287 219 I C 0.933 176.943 176.117 -0.180 0.000 1.012 219 I CA -0.190 60.954 61.300 -0.261 0.000 1.195 219 I CB 1.438 39.167 38.000 -0.452 0.000 1.350 219 I HN 0.261 nan 8.210 nan 0.000 0.464 220 E N 6.769 126.903 120.200 -0.110 0.000 2.229 220 E HA 0.331 4.682 4.350 0.001 0.000 0.283 220 E C -0.723 175.785 176.600 -0.154 0.000 1.030 220 E CA -0.701 55.644 56.400 -0.092 0.000 0.836 220 E CB 0.973 30.647 29.700 -0.043 0.000 1.068 220 E HN 0.495 nan 8.360 nan 0.000 0.401 221 L N 7.426 128.551 121.223 -0.164 0.000 2.477 221 L HA 0.145 4.485 4.340 0.001 0.000 0.272 221 L C -1.653 175.106 176.870 -0.185 0.000 1.157 221 L CA -1.431 53.254 54.840 -0.258 0.000 0.889 221 L CB -0.108 41.904 42.059 -0.078 0.000 1.158 221 L HN 0.428 nan 8.230 nan 0.000 0.473 222 P HA 0.034 nan 4.420 nan 0.000 0.275 222 P C -0.868 176.385 177.300 -0.078 0.000 1.270 222 P CA -0.609 62.313 63.100 -0.296 0.000 0.791 222 P CB 0.483 31.712 31.700 -0.784 0.000 1.089 223 D N -0.350 120.078 120.400 0.048 0.000 2.502 223 D HA 0.231 4.872 4.640 0.001 0.000 0.249 223 D C 1.613 178.054 176.300 0.236 0.000 1.188 223 D CA 1.846 55.935 54.000 0.150 0.000 0.890 223 D CB -0.836 40.055 40.800 0.151 0.000 1.140 223 D HN 0.701 nan 8.370 nan 0.000 0.505 224 G N 2.222 111.120 108.800 0.164 0.000 2.184 224 G HA2 -0.434 3.527 3.960 0.001 0.000 0.264 224 G HA3 -0.434 3.527 3.960 0.001 0.000 0.264 224 G C 0.859 175.856 174.900 0.161 0.000 0.975 224 G CA 0.662 45.846 45.100 0.139 0.000 0.642 224 G HN 0.584 nan 8.290 nan 0.000 0.536 225 Y N 0.251 120.608 120.300 0.095 0.000 2.184 225 Y HA 0.123 4.673 4.550 0.001 0.000 0.290 225 Y C 2.760 178.677 175.900 0.028 0.000 1.129 225 Y CA 2.631 60.779 58.100 0.081 0.000 1.144 225 Y CB -0.240 38.211 38.460 -0.015 0.000 0.995 225 Y HN 0.320 nan 8.280 nan 0.000 0.513 226 M N 0.721 120.455 119.600 0.224 0.000 2.080 226 M HA -0.160 4.321 4.480 0.001 0.000 0.260 226 M C 2.199 178.480 176.300 -0.032 0.000 1.068 226 M CA 2.339 57.717 55.300 0.131 0.000 1.109 226 M CB -0.618 32.068 32.600 0.144 0.000 1.342 226 M HN 0.296 nan 8.290 nan 0.000 0.405 227 A N -0.195 122.613 122.820 -0.019 0.000 1.902 227 A HA 0.067 4.388 4.320 0.001 0.000 0.217 227 A C 2.372 179.877 177.584 -0.131 0.000 1.181 227 A CA 1.880 53.883 52.037 -0.058 0.000 0.623 227 A CB -1.423 17.561 19.000 -0.026 0.000 0.818 227 A HN 0.683 nan 8.150 nan 0.000 0.443 228 A N -0.534 122.182 122.820 -0.172 0.000 1.972 228 A HA -0.015 4.305 4.320 0.001 0.000 0.219 228 A C 2.105 179.478 177.584 -0.352 0.000 1.169 228 A CA 1.676 53.567 52.037 -0.243 0.000 0.635 228 A CB -0.545 18.299 19.000 -0.260 0.000 0.810 228 A HN 0.694 nan 8.150 nan 0.000 0.446 229 L N -0.052 120.914 121.223 -0.429 0.000 2.046 229 L HA -0.097 4.244 4.340 0.001 0.000 0.208 229 L C 2.246 178.898 176.870 -0.363 0.000 1.077 229 L CA 2.732 57.283 54.840 -0.481 0.000 0.747 229 L CB -0.598 41.173 42.059 -0.480 0.000 0.896 229 L HN 0.365 nan 8.230 nan 0.000 0.432 230 K N -0.333 119.923 120.400 -0.240 0.000 2.103 230 K HA -0.172 4.148 4.320 0.001 0.000 0.207 230 K C 2.223 178.708 176.600 -0.191 0.000 1.048 230 K CA 1.559 57.743 56.287 -0.172 0.000 0.930 230 K CB -0.170 32.264 32.500 -0.110 0.000 0.716 230 K HN 0.298 nan 8.250 nan 0.000 0.444 231 R N 0.112 120.485 120.500 -0.212 0.000 2.096 231 R HA -0.066 4.274 4.340 0.001 0.000 0.235 231 R C 1.990 178.119 176.300 -0.285 0.000 1.127 231 R CA 1.243 57.218 56.100 -0.210 0.000 0.968 231 R CB -0.114 30.076 30.300 -0.182 0.000 0.861 231 R HN 0.085 nan 8.270 nan 0.000 0.440 232 K N 0.397 120.531 120.400 -0.442 0.000 2.057 232 K HA -0.110 4.211 4.320 0.001 0.000 0.207 232 K C 2.162 178.481 176.600 -0.468 0.000 1.049 232 K CA 1.173 57.048 56.287 -0.685 0.000 0.931 232 K CB -0.674 30.985 32.500 -1.401 0.000 0.714 232 K HN 0.236 nan 8.250 nan 0.000 0.440 233 C N 1.282 120.397 119.300 -0.308 0.000 2.462 233 C HA -0.064 4.397 4.460 0.001 0.000 0.278 233 C C 2.603 177.531 174.990 -0.103 0.000 1.253 233 C CA 0.606 59.552 59.018 -0.120 0.000 1.713 233 C CB -0.755 26.949 27.740 -0.060 0.000 2.049 233 C HN 0.550 nan 8.230 nan 0.000 0.477 234 E N 1.266 121.394 120.200 -0.119 0.000 2.097 234 E HA -0.212 4.139 4.350 0.001 0.000 0.196 234 E C 2.282 178.829 176.600 -0.089 0.000 1.000 234 E CA 1.490 57.836 56.400 -0.090 0.000 0.804 234 E CB -0.334 29.312 29.700 -0.089 0.000 0.740 234 E HN 0.669 nan 8.360 nan 0.000 0.454 235 A N 0.890 123.638 122.820 -0.121 0.000 2.070 235 A HA -0.138 4.182 4.320 0.001 0.000 0.220 235 A C 1.902 179.438 177.584 -0.080 0.000 1.159 235 A CA 1.179 53.152 52.037 -0.107 0.000 0.656 235 A CB -0.180 18.734 19.000 -0.143 0.000 0.800 235 A HN 0.045 nan 8.150 nan 0.000 0.453 236 R N -1.908 118.549 120.500 -0.072 0.000 2.432 236 R HA 0.280 4.620 4.340 0.001 0.000 0.260 236 R C 1.031 177.319 176.300 -0.020 0.000 0.935 236 R CA 0.529 56.609 56.100 -0.032 0.000 1.080 236 R CB 0.266 30.570 30.300 0.008 0.000 1.155 236 R HN 0.583 nan 8.270 nan 0.000 0.531 237 G N 1.580 110.363 108.800 -0.029 0.000 2.198 237 G HA2 -0.313 3.648 3.960 0.001 0.000 0.260 237 G HA3 -0.313 3.648 3.960 0.001 0.000 0.260 237 G C 0.028 174.923 174.900 -0.009 0.000 1.025 237 G CA 0.363 45.451 45.100 -0.020 0.000 0.769 237 G HN 0.186 nan 8.290 nan 0.000 0.507 238 M N 0.082 119.682 119.600 0.000 0.000 2.423 238 M HA 0.576 5.056 4.480 0.001 0.000 0.335 238 M C 0.836 177.146 176.300 0.018 0.000 1.177 238 M CA -0.758 54.556 55.300 0.024 0.000 1.038 238 M CB 1.465 34.107 32.600 0.071 0.000 1.641 238 M HN -0.046 nan 8.290 nan 0.000 0.455 239 L N 2.387 123.623 121.223 0.022 0.000 2.439 239 L HA 0.474 4.814 4.340 0.001 0.000 0.261 239 L C -0.545 176.350 176.870 0.042 0.000 1.153 239 L CA -0.871 53.976 54.840 0.012 0.000 0.808 239 L CB 0.784 42.841 42.059 -0.004 0.000 1.126 239 L HN 0.537 nan 8.230 nan 0.000 0.460 240 L N 2.886 124.124 121.223 0.026 0.000 2.305 240 L HA 0.523 4.864 4.340 0.001 0.000 0.284 240 L C -0.579 176.314 176.870 0.038 0.000 1.013 240 L CA 0.107 54.979 54.840 0.053 0.000 0.819 240 L CB 1.009 43.073 42.059 0.009 0.000 1.227 240 L HN 0.325 nan 8.230 nan 0.000 0.417 241 I N 6.161 126.766 120.570 0.058 0.000 2.378 241 I HA 0.339 4.510 4.170 0.001 0.000 0.291 241 I C -0.693 175.456 176.117 0.055 0.000 0.992 241 I CA -0.575 60.736 61.300 0.020 0.000 1.154 241 I CB 1.599 39.587 38.000 -0.019 0.000 1.315 241 I HN 0.481 nan 8.210 nan 0.000 0.448 242 L N 5.536 126.787 121.223 0.046 0.000 2.265 242 L HA 0.310 4.650 4.340 0.001 0.000 0.289 242 L C -0.227 176.699 176.870 0.094 0.000 1.033 242 L CA -0.510 54.385 54.840 0.093 0.000 0.814 242 L CB 1.187 43.296 42.059 0.084 0.000 1.203 242 L HN 0.527 nan 8.230 nan 0.000 0.423 243 D N 4.214 124.710 120.400 0.159 0.000 2.393 243 D HA 0.045 4.685 4.640 0.001 0.000 0.232 243 D C 0.141 176.545 176.300 0.174 0.000 1.192 243 D CA 0.075 54.184 54.000 0.181 0.000 0.882 243 D CB 0.722 41.733 40.800 0.352 0.000 1.038 243 D HN 0.486 nan 8.370 nan 0.000 0.499 244 E N 2.658 122.939 120.200 0.134 0.000 2.511 244 E HA 0.170 4.520 4.350 0.001 0.000 0.214 244 E C 1.182 177.862 176.600 0.134 0.000 1.062 244 E CA -0.391 56.097 56.400 0.147 0.000 1.213 244 E CB 0.749 30.558 29.700 0.181 0.000 1.214 244 E HN 0.535 nan 8.360 nan 0.000 0.441 245 A N 0.807 123.703 122.820 0.127 0.000 1.948 245 A HA -0.269 4.051 4.320 0.001 0.000 0.220 245 A C 1.997 179.631 177.584 0.083 0.000 1.177 245 A CA 1.590 53.692 52.037 0.109 0.000 0.636 245 A CB 0.014 19.092 19.000 0.130 0.000 0.815 245 A HN 0.277 nan 8.150 nan 0.000 0.449 246 Q N -2.569 117.278 119.800 0.078 0.000 2.369 246 Q HA 0.000 4.341 4.340 0.001 0.000 0.254 246 Q C 1.947 177.969 176.000 0.037 0.000 0.858 246 Q CA 0.856 56.686 55.803 0.044 0.000 0.961 246 Q CB 0.355 29.113 28.738 0.032 0.000 1.119 246 Q HN 0.798 nan 8.270 nan 0.000 0.538 247 T N -1.748 112.843 114.554 0.062 0.000 3.067 247 T HA 0.109 4.460 4.350 0.001 0.000 0.261 247 T C 1.062 175.797 174.700 0.059 0.000 1.110 247 T CA 0.414 62.547 62.100 0.054 0.000 1.113 247 T CB -0.050 68.864 68.868 0.076 0.000 0.917 247 T HN 0.148 nan 8.240 nan 0.000 0.499 248 G N 0.679 109.540 108.800 0.102 0.000 2.599 248 G HA2 0.433 4.393 3.960 0.001 0.000 0.264 248 G HA3 0.433 4.393 3.960 0.001 0.000 0.264 248 G C 0.089 174.973 174.900 -0.026 0.000 1.200 248 G CA -0.170 45.016 45.100 0.143 0.000 0.896 248 G HN 0.787 nan 8.290 nan 0.000 0.536 249 V N -0.199 119.578 119.914 -0.227 0.000 5.925 249 V HA -0.198 3.922 4.120 0.001 0.000 0.321 249 V C 1.818 177.777 176.094 -0.225 0.000 0.499 249 V CA 1.525 63.662 62.300 -0.271 0.000 0.667 249 V CB -1.981 29.786 31.823 -0.093 0.000 0.336 249 V HN 2.767 nan 8.190 nan 0.000 1.132 250 G N 0.412 109.048 108.800 -0.274 0.000 2.168 250 G HA2 -0.433 3.527 3.960 0.001 0.000 0.263 250 G HA3 -0.433 3.527 3.960 0.001 0.000 0.263 250 G C 0.728 175.559 174.900 -0.115 0.000 0.977 250 G CA 1.161 46.151 45.100 -0.184 0.000 0.659 250 G HN 1.194 nan 8.290 nan 0.000 0.533 251 R N 1.081 121.525 120.500 -0.093 0.000 2.096 251 R HA -0.019 4.321 4.340 0.001 0.000 0.235 251 R C 2.530 178.794 176.300 -0.060 0.000 1.127 251 R CA 2.724 58.783 56.100 -0.069 0.000 0.968 251 R CB -0.802 29.468 30.300 -0.051 0.000 0.861 251 R HN 0.676 nan 8.270 nan 0.000 0.440 252 T N -3.485 111.039 114.554 -0.050 0.000 3.144 252 T HA 0.288 4.638 4.350 0.001 0.000 0.249 252 T C 1.138 175.814 174.700 -0.041 0.000 1.089 252 T CA 0.120 62.199 62.100 -0.036 0.000 0.989 252 T CB 0.223 69.083 68.868 -0.014 0.000 0.992 252 T HN 0.456 nan 8.240 nan 0.000 0.540 253 G N 1.369 110.135 108.800 -0.057 0.000 2.136 253 G HA2 -0.191 3.769 3.960 0.001 0.000 0.242 253 G HA3 -0.191 3.769 3.960 0.001 0.000 0.242 253 G C 0.122 174.989 174.900 -0.056 0.000 0.989 253 G CA 0.221 45.289 45.100 -0.054 0.000 0.682 253 G HN 1.292 nan 8.290 nan 0.000 0.522 254 T N -4.306 110.205 114.554 -0.072 0.000 2.909 254 T HA 0.619 4.970 4.350 0.001 0.000 0.299 254 T C 1.041 175.632 174.700 -0.183 0.000 1.073 254 T CA 0.099 62.150 62.100 -0.082 0.000 0.999 254 T CB 1.782 70.634 68.868 -0.026 0.000 1.098 254 T HN 0.312 nan 8.240 nan 0.000 0.477 255 M N 0.796 120.234 119.600 -0.270 0.000 2.089 255 M HA 0.172 4.653 4.480 0.001 0.000 0.257 255 M C -0.661 175.016 176.300 -1.039 0.000 1.071 255 M CA 1.511 56.431 55.300 -0.633 0.000 1.096 255 M CB -0.919 31.290 32.600 -0.652 0.000 1.330 255 M HN 0.688 nan 8.290 nan 0.000 0.403 256 F N -1.767 118.184 119.950 0.002 0.000 2.539 256 F HA 0.562 5.089 4.527 0.001 0.000 0.318 256 F C 0.957 176.766 175.800 0.014 0.000 1.135 256 F CA -0.841 57.164 58.000 0.009 0.000 0.915 256 F CB 0.442 39.448 39.000 0.010 0.000 1.176 256 F HN 0.021 nan 8.300 nan 0.000 0.440 257 A N 1.279 124.202 122.820 0.172 0.000 1.917 257 A HA -0.258 4.063 4.320 0.001 0.000 0.219 257 A C 2.153 179.812 177.584 0.124 0.000 1.182 257 A CA 2.256 54.361 52.037 0.113 0.000 0.633 257 A CB -1.384 17.675 19.000 0.098 0.000 0.819 257 A HN 1.032 nan 8.150 nan 0.000 0.448 258 C N -1.246 118.146 119.300 0.154 0.000 2.409 258 C HA -0.075 4.385 4.460 0.001 0.000 0.288 258 C C 2.362 177.411 174.990 0.099 0.000 1.395 258 C CA 0.835 59.918 59.018 0.109 0.000 1.792 258 C CB -1.891 25.898 27.740 0.082 0.000 1.847 258 C HN 0.653 nan 8.230 nan 0.000 0.534 259 Q N 0.822 120.700 119.800 0.130 0.000 2.167 259 Q HA -0.172 4.168 4.340 0.001 0.000 0.202 259 Q C 2.542 178.581 176.000 0.066 0.000 0.970 259 Q CA 1.521 57.386 55.803 0.103 0.000 0.855 259 Q CB -0.253 28.561 28.738 0.127 0.000 0.911 259 Q HN 0.812 nan 8.270 nan 0.000 0.438 260 R N 1.058 121.594 120.500 0.061 0.000 2.073 260 R HA -0.156 4.185 4.340 0.001 0.000 0.234 260 R C 0.798 177.124 176.300 0.044 0.000 1.134 260 R CA 2.015 58.142 56.100 0.044 0.000 0.952 260 R CB 0.085 30.409 30.300 0.040 0.000 0.850 260 R HN 0.185 nan 8.270 nan 0.000 0.433 261 D N -1.014 119.416 120.400 0.051 0.000 2.347 261 D HA 0.113 4.753 4.640 0.001 0.000 0.215 261 D C 0.773 177.095 176.300 0.037 0.000 0.976 261 D CA 1.041 55.070 54.000 0.048 0.000 0.884 261 D CB 0.380 41.215 40.800 0.059 0.000 0.915 261 D HN 0.533 nan 8.370 nan 0.000 0.526 262 G N 0.446 109.269 108.800 0.037 0.000 2.225 262 G HA2 -0.266 3.694 3.960 0.001 0.000 0.267 262 G HA3 -0.266 3.694 3.960 0.001 0.000 0.267 262 G C 0.049 174.960 174.900 0.019 0.000 1.024 262 G CA 0.136 45.252 45.100 0.027 0.000 0.784 262 G HN 0.298 nan 8.290 nan 0.000 0.507 263 V N 0.925 120.853 119.914 0.024 0.000 2.350 263 V HA 0.665 4.786 4.120 0.001 0.000 0.285 263 V C 0.591 176.691 176.094 0.009 0.000 1.014 263 V CA 0.065 62.371 62.300 0.011 0.000 0.831 263 V CB 1.664 33.494 31.823 0.013 0.000 1.000 263 V HN 0.627 nan 8.190 nan 0.000 0.433 264 T N 6.686 121.236 114.554 -0.006 0.000 2.767 264 T HA 0.559 4.910 4.350 0.001 0.000 0.288 264 T C -2.020 172.666 174.700 -0.024 0.000 0.963 264 T CA -1.623 60.468 62.100 -0.016 0.000 1.019 264 T CB 1.652 70.507 68.868 -0.023 0.000 0.923 264 T HN 0.539 nan 8.240 nan 0.000 0.468 265 P HA 0.372 nan 4.420 nan 0.000 0.279 265 P C 0.064 177.341 177.300 -0.039 0.000 1.276 265 P CA -0.353 62.733 63.100 -0.023 0.000 0.801 265 P CB 1.050 32.743 31.700 -0.012 0.000 1.127 266 D N -0.392 119.987 120.400 -0.035 0.000 2.162 266 D HA 0.081 4.722 4.640 0.001 0.000 0.203 266 D C 0.684 176.947 176.300 -0.061 0.000 0.967 266 D CA 1.395 55.368 54.000 -0.046 0.000 0.840 266 D CB 0.309 41.087 40.800 -0.038 0.000 0.972 266 D HN 0.347 nan 8.370 nan 0.000 0.482 267 I N 0.705 121.240 120.570 -0.057 0.000 2.619 267 I HA 0.246 4.417 4.170 0.001 0.000 0.292 267 I C -1.181 174.895 176.117 -0.067 0.000 1.100 267 I CA -1.007 60.248 61.300 -0.076 0.000 1.043 267 I CB 2.980 40.931 38.000 -0.082 0.000 1.239 267 I HN -0.225 nan 8.210 nan 0.000 0.420 268 L N 5.592 126.760 121.223 -0.091 0.000 2.346 268 L HA 0.749 5.090 4.340 0.001 0.000 0.276 268 L C -0.132 176.690 176.870 -0.081 0.000 1.006 268 L CA 0.192 54.977 54.840 -0.092 0.000 0.817 268 L CB 1.988 43.941 42.059 -0.176 0.000 1.272 268 L HN 0.752 nan 8.230 nan 0.000 0.421 269 T N 3.073 117.605 114.554 -0.036 0.000 2.885 269 T HA 0.806 5.157 4.350 0.001 0.000 0.285 269 T C -0.573 174.138 174.700 0.018 0.000 1.019 269 T CA -0.672 61.416 62.100 -0.020 0.000 1.010 269 T CB 1.181 70.043 68.868 -0.010 0.000 1.022 269 T HN 0.572 nan 8.240 nan 0.000 0.466 270 L N 1.911 123.146 121.223 0.020 0.000 2.376 270 L HA 0.753 5.093 4.340 0.001 0.000 0.258 270 L C 0.485 177.386 176.870 0.051 0.000 1.013 270 L CA -0.790 54.085 54.840 0.058 0.000 0.822 270 L CB 2.524 44.625 42.059 0.070 0.000 1.388 270 L HN 1.068 nan 8.230 nan 0.000 0.413 271 S N -0.853 114.884 115.700 0.063 0.000 6.561 271 S HA 0.056 4.527 4.470 0.001 0.000 0.088 271 S C 1.040 175.666 174.600 0.045 0.000 1.257 271 S CA -0.419 57.811 58.200 0.051 0.000 1.327 271 S CB 0.034 63.269 63.200 0.058 0.000 1.856 271 S HN 0.451 nan 8.310 nan 0.000 0.562 272 K N 1.871 122.302 120.400 0.051 0.000 2.000 272 K HA -0.121 4.200 4.320 0.001 0.000 0.218 272 K C 2.384 178.995 176.600 0.019 0.000 1.053 272 K CA 2.451 58.760 56.287 0.037 0.000 0.946 272 K CB -0.861 31.664 32.500 0.041 0.000 0.723 272 K HN 0.772 nan 8.250 nan 0.000 0.446 273 T N -0.193 114.373 114.554 0.020 0.000 3.055 273 T HA -0.020 4.330 4.350 0.001 0.000 0.265 273 T C 1.775 176.475 174.700 0.000 0.000 1.111 273 T CA 0.473 62.573 62.100 -0.001 0.000 1.118 273 T CB -0.076 68.788 68.868 -0.005 0.000 0.909 273 T HN 0.035 nan 8.240 nan 0.000 0.501 274 L N 2.151 123.387 121.223 0.022 0.000 2.056 274 L HA 0.339 4.679 4.340 0.001 0.000 0.207 274 L C 2.467 179.339 176.870 0.002 0.000 1.078 274 L CA 1.955 56.808 54.840 0.022 0.000 0.749 274 L CB -1.111 40.973 42.059 0.041 0.000 0.901 274 L HN 0.382 nan 8.230 nan 0.000 0.433 275 G N -2.011 106.791 108.800 0.003 0.000 2.880 275 G HA2 0.203 4.164 3.960 0.001 0.000 0.209 275 G HA3 0.203 4.164 3.960 0.001 0.000 0.209 275 G C 1.011 175.905 174.900 -0.010 0.000 1.157 275 G CA 0.392 45.489 45.100 -0.004 0.000 0.779 275 G HN 0.811 nan 8.290 nan 0.000 0.539 276 A N -1.225 121.585 122.820 -0.016 0.000 2.771 276 A HA 0.144 4.464 4.320 0.001 0.000 0.294 276 A C 1.913 179.481 177.584 -0.026 0.000 1.500 276 A CA 1.969 53.987 52.037 -0.031 0.000 0.829 276 A CB -1.470 17.504 19.000 -0.044 0.000 0.998 276 A HN 2.194 nan 8.150 nan 0.000 0.526 277 G N -3.139 105.655 108.800 -0.010 0.000 2.380 277 G HA2 -0.034 3.926 3.960 0.001 0.000 0.197 277 G HA3 -0.034 3.926 3.960 0.001 0.000 0.197 277 G C 0.107 175.018 174.900 0.017 0.000 1.001 277 G CA 0.197 45.300 45.100 0.006 0.000 0.668 277 G HN 1.467 nan 8.290 nan 0.000 0.483 278 L N 2.720 123.949 121.223 0.010 0.000 2.399 278 L HA 0.581 4.921 4.340 0.001 0.000 0.265 278 L C -1.724 175.145 176.870 -0.002 0.000 1.089 278 L CA -1.541 53.302 54.840 0.005 0.000 0.802 278 L CB 1.195 43.255 42.059 0.003 0.000 1.180 278 L HN 0.010 nan 8.230 nan 0.000 0.454 279 P HA 0.240 nan 4.420 nan 0.000 0.256 279 P C -1.106 176.181 177.300 -0.022 0.000 1.689 279 P CA -0.247 62.840 63.100 -0.021 0.000 1.124 279 P CB 0.568 32.240 31.700 -0.045 0.000 1.766 280 L N 2.856 124.078 121.223 -0.003 0.000 2.464 280 L HA 0.821 5.161 4.340 0.001 0.000 0.266 280 L C -1.449 175.430 176.870 0.014 0.000 0.965 280 L CA -0.708 54.133 54.840 0.003 0.000 0.833 280 L CB 2.111 44.167 42.059 -0.005 0.000 1.296 280 L HN 0.367 nan 8.230 nan 0.000 0.405 281 A N 3.352 126.183 122.820 0.019 0.000 2.524 281 A HA 1.102 5.423 4.320 0.001 0.000 0.286 281 A C -1.238 176.349 177.584 0.005 0.000 1.203 281 A CA -0.124 51.924 52.037 0.019 0.000 0.736 281 A CB 1.663 20.678 19.000 0.025 0.000 1.322 281 A HN 1.833 nan 8.150 nan 0.000 0.424 282 A N -0.693 122.123 122.820 -0.007 0.000 2.597 282 A HA 0.669 4.989 4.320 0.001 0.000 0.292 282 A C -1.071 176.482 177.584 -0.052 0.000 1.057 282 A CA 0.143 52.163 52.037 -0.028 0.000 0.674 282 A CB 0.480 19.469 19.000 -0.019 0.000 1.278 282 A HN 2.151 nan 8.150 nan 0.000 0.416 283 I N -1.283 119.242 120.570 -0.076 0.000 2.646 283 I HA 0.926 5.097 4.170 0.001 0.000 0.299 283 I C -1.241 174.818 176.117 -0.097 0.000 1.036 283 I CA -1.172 60.070 61.300 -0.096 0.000 1.074 283 I CB 2.261 40.185 38.000 -0.126 0.000 1.258 283 I HN 0.342 nan 8.210 nan 0.000 0.430 284 V N 3.562 123.409 119.914 -0.111 0.000 2.638 284 V HA 0.650 4.770 4.120 0.001 0.000 0.306 284 V C -0.125 175.899 176.094 -0.117 0.000 1.052 284 V CA -0.252 61.978 62.300 -0.117 0.000 0.885 284 V CB 1.582 33.317 31.823 -0.145 0.000 0.999 284 V HN 0.976 nan 8.190 nan 0.000 0.424 285 T N 1.786 116.274 114.554 -0.109 0.000 2.864 285 T HA 0.577 4.928 4.350 0.001 0.000 0.289 285 T C -0.056 174.591 174.700 -0.087 0.000 1.082 285 T CA 0.027 62.064 62.100 -0.104 0.000 1.009 285 T CB 1.963 70.757 68.868 -0.123 0.000 1.234 285 T HN 1.034 nan 8.240 nan 0.000 0.526 286 S N 1.086 116.740 115.700 -0.078 0.000 2.592 286 S HA 0.527 4.998 4.470 0.001 0.000 0.271 286 S C 1.706 176.270 174.600 -0.060 0.000 1.326 286 S CA -0.007 58.155 58.200 -0.063 0.000 1.024 286 S CB 0.861 64.029 63.200 -0.053 0.000 0.921 286 S HN 0.977 nan 8.310 nan 0.000 0.527 287 A N 3.133 125.924 122.820 -0.049 0.000 1.917 287 A HA 0.044 4.365 4.320 0.001 0.000 0.219 287 A C 2.438 180.000 177.584 -0.036 0.000 1.182 287 A CA 2.088 54.099 52.037 -0.042 0.000 0.633 287 A CB -1.727 17.253 19.000 -0.034 0.000 0.819 287 A HN 1.451 nan 8.150 nan 0.000 0.448 288 A N -0.323 122.477 122.820 -0.032 0.000 1.883 288 A HA -0.103 4.218 4.320 0.001 0.000 0.217 288 A C 2.162 179.728 177.584 -0.029 0.000 1.186 288 A CA 1.638 53.660 52.037 -0.025 0.000 0.624 288 A CB -0.575 18.410 19.000 -0.025 0.000 0.822 288 A HN 0.508 nan 8.150 nan 0.000 0.444 289 I N -0.882 119.661 120.570 -0.045 0.000 2.202 289 I HA -0.191 3.980 4.170 0.001 0.000 0.242 289 I C 2.639 178.712 176.117 -0.072 0.000 1.091 289 I CA 1.396 62.660 61.300 -0.060 0.000 1.368 289 I CB -0.261 37.693 38.000 -0.077 0.000 1.058 289 I HN 0.372 nan 8.210 nan 0.000 0.410 290 E N 1.070 121.223 120.200 -0.079 0.000 2.097 290 E HA -0.255 4.095 4.350 0.001 0.000 0.196 290 E C 1.953 178.543 176.600 -0.016 0.000 1.000 290 E CA 1.457 57.809 56.400 -0.081 0.000 0.804 290 E CB 0.004 29.659 29.700 -0.076 0.000 0.740 290 E HN 0.440 nan 8.360 nan 0.000 0.454 291 E N 0.217 120.415 120.200 -0.003 0.000 2.051 291 E HA -0.200 4.150 4.350 0.001 0.000 0.192 291 E C 2.237 178.883 176.600 0.077 0.000 0.991 291 E CA 0.943 57.370 56.400 0.044 0.000 0.799 291 E CB -0.299 29.414 29.700 0.022 0.000 0.748 291 E HN 0.050 nan 8.360 nan 0.000 0.449 292 R N 1.348 121.868 120.500 0.032 0.000 2.096 292 R HA -0.043 4.298 4.340 0.001 0.000 0.235 292 R C 2.042 178.367 176.300 0.042 0.000 1.127 292 R CA 1.599 57.718 56.100 0.030 0.000 0.968 292 R CB -0.769 29.535 30.300 0.007 0.000 0.861 292 R HN 0.122 nan 8.270 nan 0.000 0.440 293 A N -0.491 122.343 122.820 0.023 0.000 1.902 293 A HA -0.222 4.098 4.320 0.001 0.000 0.217 293 A C 2.144 179.812 177.584 0.140 0.000 1.181 293 A CA 1.927 53.982 52.037 0.030 0.000 0.623 293 A CB -0.985 17.916 19.000 -0.164 0.000 0.818 293 A HN 0.660 nan 8.150 nan 0.000 0.443 294 H N -0.411 118.688 119.070 0.048 0.000 2.321 294 H HA -0.093 4.464 4.556 0.001 0.000 0.300 294 H C 2.000 177.367 175.328 0.066 0.000 1.087 294 H CA 2.004 58.100 56.048 0.080 0.000 1.319 294 H CB -0.179 29.615 29.762 0.053 0.000 1.379 294 H HN 0.589 nan 8.280 nan 0.000 0.501 295 E N -0.552 119.640 120.200 -0.013 0.000 2.118 295 E HA -0.138 4.212 4.350 0.001 0.000 0.195 295 E C 1.064 177.616 176.600 -0.080 0.000 0.992 295 E CA 0.846 57.201 56.400 -0.074 0.000 0.804 295 E CB 0.049 29.755 29.700 0.010 0.000 0.741 295 E HN 0.320 nan 8.360 nan 0.000 0.458 296 L N -0.374 120.837 121.223 -0.020 0.000 2.612 296 L HA 0.140 4.481 4.340 0.001 0.000 0.230 296 L C 1.263 178.140 176.870 0.012 0.000 1.140 296 L CA 1.204 56.048 54.840 0.007 0.000 0.896 296 L CB -0.084 42.001 42.059 0.044 0.000 1.065 296 L HN 0.277 nan 8.230 nan 0.000 0.447 297 G N -1.514 107.269 108.800 -0.027 0.000 2.137 297 G HA2 -0.374 3.587 3.960 0.001 0.000 0.237 297 G HA3 -0.374 3.587 3.960 0.001 0.000 0.237 297 G C 0.298 175.248 174.900 0.083 0.000 1.002 297 G CA 0.071 45.162 45.100 -0.014 0.000 0.702 297 G HN 0.298 nan 8.290 nan 0.000 0.515 298 Y N -0.395 119.920 120.300 0.024 0.000 2.969 298 Y HA 0.277 4.827 4.550 0.001 0.000 0.339 298 Y C 0.354 176.317 175.900 0.105 0.000 1.272 298 Y CA 0.755 58.901 58.100 0.077 0.000 1.577 298 Y CB 0.326 38.847 38.460 0.101 0.000 1.234 298 Y HN 0.643 nan 8.280 nan 0.000 0.590 299 L N 8.356 129.284 121.223 -0.492 0.000 2.409 299 L HA 0.505 4.846 4.340 0.001 0.000 0.272 299 L C -1.986 174.587 176.870 -0.495 0.000 0.980 299 L CA -0.679 53.947 54.840 -0.356 0.000 0.826 299 L CB 1.349 43.293 42.059 -0.193 0.000 1.268 299 L HN 0.625 nan 8.230 nan 0.000 0.407 300 F N 5.552 125.265 119.950 -0.396 0.000 2.824 300 F HA 0.359 4.886 4.527 0.001 0.000 0.368 300 F C -1.749 174.034 175.800 -0.028 0.000 1.398 300 F CA -0.377 57.484 58.000 -0.231 0.000 1.142 300 F CB 0.417 39.283 39.000 -0.224 0.000 1.997 300 F HN 0.498 nan 8.300 nan 0.000 0.598 301 Y N 2.747 122.896 120.300 -0.251 0.000 2.367 301 Y HA 0.507 5.057 4.550 0.001 0.000 0.342 301 Y C 0.438 176.215 175.900 -0.204 0.000 0.979 301 Y CA -0.122 57.880 58.100 -0.163 0.000 1.161 301 Y CB 0.917 39.281 38.460 -0.160 0.000 1.155 301 Y HN 0.443 nan 8.280 nan 0.000 0.503 302 T N -0.310 114.133 114.554 -0.185 0.000 2.888 302 T HA 0.280 4.631 4.350 0.001 0.000 0.288 302 T C 0.844 175.428 174.700 -0.194 0.000 1.063 302 T CA -0.416 61.606 62.100 -0.131 0.000 1.010 302 T CB 1.533 70.386 68.868 -0.024 0.000 1.214 302 T HN 0.460 nan 8.240 nan 0.000 0.533 303 T N 0.569 115.034 114.554 -0.148 0.000 2.708 303 T HA -0.080 4.270 4.350 0.001 0.000 0.266 303 T C 1.268 175.797 174.700 -0.286 0.000 1.037 303 T CA 1.407 63.354 62.100 -0.254 0.000 1.146 303 T CB -0.459 68.153 68.868 -0.427 0.000 0.865 303 T HN 0.709 nan 8.240 nan 0.000 0.435 304 H N -0.252 118.835 119.070 0.029 0.000 2.551 304 H HA 0.378 4.935 4.556 0.001 0.000 0.271 304 H C 0.805 176.127 175.328 -0.011 0.000 0.984 304 H CA -0.289 55.787 56.048 0.048 0.000 1.164 304 H CB -0.341 29.458 29.762 0.062 0.000 1.437 304 H HN 0.172 nan 8.280 nan 0.000 0.550 305 V N 1.942 121.862 119.914 0.010 0.000 2.694 305 V HA -0.090 4.030 4.120 0.001 0.000 0.306 305 V C 0.460 176.511 176.094 -0.072 0.000 1.054 305 V CA 0.722 63.009 62.300 -0.022 0.000 1.161 305 V CB 0.416 32.186 31.823 -0.088 0.000 0.916 305 V HN 0.643 nan 8.190 nan 0.000 0.490 306 S N 3.086 118.765 115.700 -0.036 0.000 3.635 306 S HA -0.161 4.309 4.470 0.001 0.000 0.328 306 S C -0.174 174.398 174.600 -0.045 0.000 1.135 306 S CA 1.023 59.193 58.200 -0.051 0.000 0.942 306 S CB -1.378 61.770 63.200 -0.086 0.000 0.930 306 S HN 1.005 nan 8.310 nan 0.000 0.512 307 D N 1.227 121.628 120.400 0.000 0.000 2.256 307 D HA 0.314 4.954 4.640 0.001 0.000 0.250 307 D C -0.708 175.598 176.300 0.009 0.000 1.093 307 D CA -1.895 52.121 54.000 0.027 0.000 0.882 307 D CB 0.968 41.862 40.800 0.156 0.000 1.185 307 D HN 0.109 nan 8.370 nan 0.000 0.437 308 P HA -0.131 nan 4.420 nan 0.000 0.216 308 P C 1.839 179.082 177.300 -0.094 0.000 1.153 308 P CA 0.589 63.670 63.100 -0.031 0.000 0.848 308 P CB 0.516 32.247 31.700 0.051 0.000 0.787 309 L N 0.255 121.487 121.223 0.015 0.000 1.989 309 L HA -0.092 4.248 4.340 0.001 0.000 0.211 309 L C -0.617 176.215 176.870 -0.063 0.000 1.071 309 L CA 2.773 57.619 54.840 0.010 0.000 0.749 309 L CB -1.876 40.250 42.059 0.111 0.000 0.890 309 L HN 0.015 nan 8.230 nan 0.000 0.431 310 P HA -0.104 nan 4.420 nan 0.000 0.217 310 P C 1.440 178.700 177.300 -0.066 0.000 1.151 310 P CA 1.699 64.779 63.100 -0.035 0.000 0.828 310 P CB -0.119 31.575 31.700 -0.010 0.000 0.788 311 A N 0.343 123.112 122.820 -0.084 0.000 1.908 311 A HA -0.194 4.127 4.320 0.001 0.000 0.218 311 A C 2.328 179.819 177.584 -0.155 0.000 1.181 311 A CA 2.344 54.321 52.037 -0.100 0.000 0.627 311 A CB -1.677 17.262 19.000 -0.101 0.000 0.818 311 A HN 0.198 nan 8.150 nan 0.000 0.445 312 A N -0.832 121.823 122.820 -0.274 0.000 1.902 312 A HA 0.023 4.344 4.320 0.001 0.000 0.217 312 A C 2.260 179.725 177.584 -0.198 0.000 1.181 312 A CA 1.771 53.565 52.037 -0.405 0.000 0.623 312 A CB -0.870 17.560 19.000 -0.950 0.000 0.818 312 A HN 0.380 nan 8.150 nan 0.000 0.443 313 V N -0.199 119.638 119.914 -0.130 0.000 2.307 313 V HA -0.156 3.964 4.120 0.001 0.000 0.245 313 V C 2.843 178.904 176.094 -0.055 0.000 1.045 313 V CA 2.007 64.272 62.300 -0.058 0.000 1.024 313 V CB -1.374 30.433 31.823 -0.026 0.000 0.651 313 V HN 0.604 nan 8.190 nan 0.000 0.449 314 G N -0.221 108.547 108.800 -0.054 0.000 2.440 314 G HA2 -0.266 3.695 3.960 0.001 0.000 0.218 314 G HA3 -0.266 3.695 3.960 0.001 0.000 0.218 314 G C 1.574 176.449 174.900 -0.041 0.000 1.154 314 G CA 1.154 46.231 45.100 -0.039 0.000 0.767 314 G HN 0.407 nan 8.290 nan 0.000 0.552 315 L N 0.993 122.183 121.223 -0.055 0.000 2.012 315 L HA -0.014 4.326 4.340 0.001 0.000 0.210 315 L C 2.726 179.573 176.870 -0.038 0.000 1.073 315 L CA 2.322 57.136 54.840 -0.044 0.000 0.748 315 L CB -0.732 41.291 42.059 -0.060 0.000 0.891 315 L HN 0.269 nan 8.230 nan 0.000 0.431 316 R N -0.822 119.652 120.500 -0.044 0.000 2.096 316 R HA -0.109 4.231 4.340 0.001 0.000 0.235 316 R C 2.008 178.269 176.300 -0.065 0.000 1.127 316 R CA 2.043 58.120 56.100 -0.038 0.000 0.968 316 R CB -1.025 29.261 30.300 -0.024 0.000 0.861 316 R HN 0.302 nan 8.270 nan 0.000 0.440 317 V N 0.766 120.639 119.914 -0.068 0.000 2.343 317 V HA -0.211 3.910 4.120 0.001 0.000 0.247 317 V C 2.313 178.362 176.094 -0.074 0.000 1.051 317 V CA 1.870 64.117 62.300 -0.088 0.000 1.036 317 V CB -0.435 31.349 31.823 -0.065 0.000 0.654 317 V HN 0.316 nan 8.190 nan 0.000 0.451 318 L N -0.491 120.703 121.223 -0.048 0.000 2.093 318 L HA -0.136 4.204 4.340 0.001 0.000 0.208 318 L C 2.340 179.186 176.870 -0.040 0.000 1.085 318 L CA 1.264 56.082 54.840 -0.037 0.000 0.755 318 L CB -0.673 41.380 42.059 -0.010 0.000 0.904 318 L HN 0.337 nan 8.230 nan 0.000 0.435 319 D N -0.167 120.210 120.400 -0.037 0.000 2.088 319 D HA -0.214 4.427 4.640 0.001 0.000 0.191 319 D C 2.172 178.447 176.300 -0.043 0.000 0.992 319 D CA 1.552 55.534 54.000 -0.030 0.000 0.831 319 D CB -0.562 40.225 40.800 -0.021 0.000 0.973 319 D HN 0.105 nan 8.370 nan 0.000 0.447 320 V N 0.636 120.509 119.914 -0.069 0.000 2.380 320 V HA -0.239 3.881 4.120 0.001 0.000 0.251 320 V C 2.265 178.315 176.094 -0.073 0.000 1.063 320 V CA 1.639 63.887 62.300 -0.087 0.000 1.055 320 V CB -0.365 31.347 31.823 -0.186 0.000 0.657 320 V HN 0.061 nan 8.190 nan 0.000 0.455 321 V N -0.345 119.521 119.914 -0.080 0.000 2.407 321 V HA -0.292 3.828 4.120 0.001 0.000 0.248 321 V C 2.465 178.526 176.094 -0.055 0.000 1.055 321 V CA 2.526 64.783 62.300 -0.071 0.000 1.049 321 V CB -0.682 31.091 31.823 -0.084 0.000 0.662 321 V HN 0.640 nan 8.190 nan 0.000 0.455 322 Q N -0.332 119.440 119.800 -0.047 0.000 1.994 322 Q HA -0.203 4.138 4.340 0.001 0.000 0.198 322 Q C 2.552 178.538 176.000 -0.023 0.000 0.976 322 Q CA 1.833 57.615 55.803 -0.035 0.000 0.828 322 Q CB -0.175 28.548 28.738 -0.026 0.000 0.894 322 Q HN 0.545 nan 8.270 nan 0.000 0.432 323 R N 0.471 120.961 120.500 -0.018 0.000 2.080 323 R HA -0.161 4.180 4.340 0.001 0.000 0.236 323 R C 0.693 176.992 176.300 -0.002 0.000 1.137 323 R CA 1.963 58.059 56.100 -0.006 0.000 0.943 323 R CB -0.100 30.199 30.300 -0.002 0.000 0.846 323 R HN 0.214 nan 8.270 nan 0.000 0.431 324 D N -0.276 120.122 120.400 -0.004 0.000 2.336 324 D HA 0.086 4.726 4.640 0.001 0.000 0.229 324 D C 0.459 176.757 176.300 -0.003 0.000 1.061 324 D CA 0.995 54.999 54.000 0.006 0.000 0.875 324 D CB 0.134 40.950 40.800 0.026 0.000 0.904 324 D HN 0.563 nan 8.370 nan 0.000 0.525 325 G N 1.447 110.239 108.800 -0.014 0.000 2.371 325 G HA2 -0.299 3.662 3.960 0.001 0.000 0.299 325 G HA3 -0.299 3.662 3.960 0.001 0.000 0.299 325 G C 0.945 175.831 174.900 -0.024 0.000 1.014 325 G CA 0.222 45.310 45.100 -0.020 0.000 1.097 325 G HN 0.414 nan 8.290 nan 0.000 0.512 326 L N -0.792 120.410 121.223 -0.034 0.000 2.240 326 L HA -0.015 4.325 4.340 0.001 0.000 0.211 326 L C 2.810 179.648 176.870 -0.054 0.000 1.106 326 L CA 0.573 55.389 54.840 -0.040 0.000 0.793 326 L CB -0.358 41.675 42.059 -0.043 0.000 0.927 326 L HN 0.310 nan 8.230 nan 0.000 0.446 327 V N 0.550 120.424 119.914 -0.066 0.000 2.490 327 V HA -0.290 3.830 4.120 0.001 0.000 0.250 327 V C 2.741 178.802 176.094 -0.055 0.000 1.061 327 V CA 1.911 64.165 62.300 -0.076 0.000 1.064 327 V CB -0.739 31.028 31.823 -0.093 0.000 0.670 327 V HN 0.489 nan 8.190 nan 0.000 0.461 328 A N 0.326 123.121 122.820 -0.042 0.000 1.898 328 A HA -0.173 4.147 4.320 0.001 0.000 0.214 328 A C 2.300 179.868 177.584 -0.028 0.000 1.183 328 A CA 1.584 53.602 52.037 -0.031 0.000 0.622 328 A CB -0.487 18.500 19.000 -0.023 0.000 0.824 328 A HN 0.468 nan 8.150 nan 0.000 0.444 329 R N 0.367 120.851 120.500 -0.027 0.000 2.139 329 R HA -0.112 4.229 4.340 0.001 0.000 0.243 329 R C 1.967 178.247 176.300 -0.034 0.000 1.145 329 R CA 1.846 57.932 56.100 -0.024 0.000 0.976 329 R CB -0.601 29.688 30.300 -0.019 0.000 0.866 329 R HN 0.395 nan 8.270 nan 0.000 0.449 330 A N 0.279 123.073 122.820 -0.044 0.000 2.015 330 A HA -0.116 4.205 4.320 0.001 0.000 0.219 330 A C 1.709 179.264 177.584 -0.047 0.000 1.163 330 A CA 1.526 53.531 52.037 -0.054 0.000 0.646 330 A CB -0.449 18.513 19.000 -0.063 0.000 0.806 330 A HN 0.433 nan 8.150 nan 0.000 0.448 331 N N -0.136 118.541 118.700 -0.038 0.000 2.250 331 N HA -0.058 4.683 4.740 0.001 0.000 0.181 331 N C 1.759 177.254 175.510 -0.024 0.000 1.017 331 N CA 1.324 54.356 53.050 -0.030 0.000 0.866 331 N CB -0.231 38.241 38.487 -0.025 0.000 0.985 331 N HN 0.260 nan 8.380 nan 0.000 0.429 332 V N 2.114 122.016 119.914 -0.021 0.000 2.229 332 V HA -0.191 3.929 4.120 0.001 0.000 0.243 332 V C 2.449 178.532 176.094 -0.017 0.000 1.042 332 V CA 1.308 63.599 62.300 -0.015 0.000 1.000 332 V CB -0.349 31.467 31.823 -0.011 0.000 0.637 332 V HN 0.211 nan 8.190 nan 0.000 0.446 333 M N 0.436 120.022 119.600 -0.023 0.000 2.149 333 M HA -0.095 4.386 4.480 0.001 0.000 0.261 333 M C 2.302 178.577 176.300 -0.042 0.000 1.064 333 M CA 2.069 57.352 55.300 -0.029 0.000 1.102 333 M CB -2.000 30.576 32.600 -0.040 0.000 1.369 333 M HN 0.460 nan 8.290 nan 0.000 0.408 334 G N -0.085 108.685 108.800 -0.049 0.000 2.422 334 G HA2 -0.261 3.699 3.960 0.001 0.000 0.218 334 G HA3 -0.261 3.699 3.960 0.001 0.000 0.218 334 G C 1.259 176.137 174.900 -0.038 0.000 1.146 334 G CA 1.374 46.440 45.100 -0.056 0.000 0.769 334 G HN 0.512 nan 8.290 nan 0.000 0.547 335 D N -0.358 120.027 120.400 -0.026 0.000 2.183 335 D HA -0.042 4.598 4.640 0.001 0.000 0.203 335 D C 2.368 178.662 176.300 -0.009 0.000 0.969 335 D CA 0.613 54.604 54.000 -0.015 0.000 0.842 335 D CB -0.104 40.690 40.800 -0.011 0.000 0.957 335 D HN 0.263 nan 8.370 nan 0.000 0.484 336 R N 0.005 120.500 120.500 -0.008 0.000 2.083 336 R HA -0.105 4.236 4.340 0.001 0.000 0.237 336 R C 2.378 178.683 176.300 0.009 0.000 1.137 336 R CA 1.030 57.132 56.100 0.004 0.000 0.951 336 R CB -0.472 29.833 30.300 0.008 0.000 0.851 336 R HN 0.281 nan 8.270 nan 0.000 0.434 337 L N 0.628 121.849 121.223 -0.002 0.000 2.046 337 L HA -0.215 4.126 4.340 0.001 0.000 0.208 337 L C 2.796 179.670 176.870 0.006 0.000 1.077 337 L CA 1.616 56.458 54.840 0.003 0.000 0.747 337 L CB -0.404 41.624 42.059 -0.052 0.000 0.896 337 L HN 0.335 nan 8.230 nan 0.000 0.432 338 R N -0.404 120.092 120.500 -0.008 0.000 2.091 338 R HA -0.197 4.144 4.340 0.001 0.000 0.238 338 R C 2.444 178.749 176.300 0.007 0.000 1.136 338 R CA 1.357 57.456 56.100 -0.003 0.000 0.959 338 R CB -0.116 30.178 30.300 -0.010 0.000 0.856 338 R HN 0.304 nan 8.270 nan 0.000 0.437 339 R N -0.564 119.940 120.500 0.007 0.000 2.080 339 R HA -0.122 4.218 4.340 0.001 0.000 0.236 339 R C 2.302 178.612 176.300 0.017 0.000 1.137 339 R CA 1.711 57.817 56.100 0.010 0.000 0.943 339 R CB -0.827 29.478 30.300 0.009 0.000 0.846 339 R HN 0.434 nan 8.270 nan 0.000 0.431 340 G N 1.360 110.175 108.800 0.026 0.000 2.446 340 G HA2 -0.231 3.729 3.960 0.001 0.000 0.217 340 G HA3 -0.231 3.729 3.960 0.001 0.000 0.217 340 G C 1.580 176.507 174.900 0.045 0.000 1.168 340 G CA 0.523 45.645 45.100 0.037 0.000 0.771 340 G HN 0.174 nan 8.290 nan 0.000 0.551 341 L N -0.245 121.004 121.223 0.043 0.000 2.079 341 L HA -0.029 4.311 4.340 0.001 0.000 0.210 341 L C 2.843 179.738 176.870 0.042 0.000 1.081 341 L CA 0.640 55.508 54.840 0.046 0.000 0.752 341 L CB -0.470 41.609 42.059 0.034 0.000 0.896 341 L HN 0.195 nan 8.230 nan 0.000 0.433 342 L N -0.715 120.524 121.223 0.027 0.000 2.313 342 L HA -0.127 4.213 4.340 0.001 0.000 0.214 342 L C 2.105 178.986 176.870 0.020 0.000 1.119 342 L CA 0.595 55.447 54.840 0.020 0.000 0.809 342 L CB -0.381 41.684 42.059 0.009 0.000 0.933 342 L HN 0.202 nan 8.230 nan 0.000 0.449 343 D N -0.215 120.197 120.400 0.020 0.000 2.103 343 D HA -0.121 4.520 4.640 0.001 0.000 0.199 343 D C 2.238 178.542 176.300 0.007 0.000 0.978 343 D CA 0.897 54.900 54.000 0.005 0.000 0.829 343 D CB 0.010 40.813 40.800 0.004 0.000 0.981 343 D HN 0.046 nan 8.370 nan 0.000 0.464 344 L N 0.853 122.112 121.223 0.059 0.000 2.013 344 L HA -0.135 4.205 4.340 0.001 0.000 0.212 344 L C 2.477 179.443 176.870 0.159 0.000 1.073 344 L CA 1.321 56.253 54.840 0.153 0.000 0.753 344 L CB -1.223 40.974 42.059 0.231 0.000 0.890 344 L HN 0.146 nan 8.230 nan 0.000 0.432 345 M N -0.899 118.770 119.600 0.116 0.000 2.260 345 M HA -0.258 4.222 4.480 0.001 0.000 0.261 345 M C 2.036 178.369 176.300 0.054 0.000 1.066 345 M CA 1.619 56.979 55.300 0.101 0.000 1.082 345 M CB 0.012 32.646 32.600 0.056 0.000 1.388 345 M HN 0.255 nan 8.290 nan 0.000 0.419 346 E N -0.366 119.837 120.200 0.006 0.000 2.072 346 E HA -0.172 4.178 4.350 0.001 0.000 0.190 346 E C 2.127 178.672 176.600 -0.092 0.000 0.982 346 E CA 0.868 57.248 56.400 -0.034 0.000 0.803 346 E CB -0.040 29.633 29.700 -0.046 0.000 0.755 346 E HN 0.467 nan 8.360 nan 0.000 0.453 347 R N -0.301 120.087 120.500 -0.187 0.000 2.075 347 R HA -0.056 4.285 4.340 0.001 0.000 0.232 347 R C -0.197 175.804 176.300 -0.498 0.000 1.126 347 R CA 0.872 56.705 56.100 -0.445 0.000 0.963 347 R CB 0.105 29.971 30.300 -0.723 0.000 0.858 347 R HN -0.018 nan 8.270 nan 0.000 0.435 348 F N 0.189 120.140 119.950 0.002 0.000 2.426 348 F HA 0.156 4.683 4.527 0.001 0.000 0.348 348 F C 0.920 176.729 175.800 0.015 0.000 1.124 348 F CA -1.052 56.952 58.000 0.007 0.000 1.008 348 F CB 1.491 40.495 39.000 0.006 0.000 1.139 348 F HN -0.051 nan 8.300 nan 0.000 0.452 349 D N 1.863 122.386 120.400 0.206 0.000 2.310 349 D HA -0.153 4.487 4.640 0.001 0.000 0.212 349 D C 1.934 178.306 176.300 0.121 0.000 0.965 349 D CA 1.041 55.118 54.000 0.127 0.000 0.879 349 D CB 0.283 41.135 40.800 0.088 0.000 0.921 349 D HN 0.676 nan 8.370 nan 0.000 0.510 350 C N -0.010 119.371 119.300 0.135 0.000 2.472 350 C HA 0.261 4.721 4.460 0.001 0.000 0.278 350 C C 1.419 176.467 174.990 0.097 0.000 1.447 350 C CA -0.706 58.368 59.018 0.093 0.000 1.773 350 C CB -1.492 26.280 27.740 0.054 0.000 1.793 350 C HN 0.142 nan 8.230 nan 0.000 0.544 351 I N 2.496 123.135 120.570 0.116 0.000 2.269 351 I HA 0.260 4.431 4.170 0.001 0.000 0.293 351 I C 1.556 177.721 176.117 0.080 0.000 1.106 351 I CA 0.255 61.615 61.300 0.101 0.000 1.248 351 I CB 0.715 38.784 38.000 0.115 0.000 1.444 351 I HN 0.430 nan 8.210 nan 0.000 0.497 352 G N 4.164 113.013 108.800 0.082 0.000 2.603 352 G HA2 -0.040 3.921 3.960 0.001 0.000 0.214 352 G HA3 -0.040 3.921 3.960 0.001 0.000 0.214 352 G C 0.061 174.902 174.900 -0.098 0.000 1.140 352 G CA 0.301 45.456 45.100 0.091 0.000 0.800 352 G HN 0.552 nan 8.290 nan 0.000 0.533 353 D N -1.033 119.248 120.400 -0.199 0.000 2.886 353 D HA 0.399 5.039 4.640 0.001 0.000 0.216 353 D C -1.233 174.962 176.300 -0.176 0.000 1.256 353 D CA -0.380 53.386 54.000 -0.391 0.000 0.844 353 D CB 2.235 42.364 40.800 -1.119 0.000 1.669 353 D HN -0.116 nan 8.370 nan 0.000 0.513 354 V N 4.539 124.376 119.914 -0.129 0.000 2.350 354 V HA 0.667 4.788 4.120 0.001 0.000 0.285 354 V C 0.275 176.333 176.094 -0.060 0.000 1.014 354 V CA -0.549 61.716 62.300 -0.058 0.000 0.831 354 V CB 1.009 32.817 31.823 -0.024 0.000 1.000 354 V HN 0.610 nan 8.190 nan 0.000 0.433 355 R N 3.337 123.813 120.500 -0.041 0.000 3.003 355 R HA 0.983 5.324 4.340 0.001 0.000 0.251 355 R C 0.208 176.498 176.300 -0.016 0.000 1.265 355 R CA -0.166 55.919 56.100 -0.025 0.000 1.026 355 R CB 1.670 31.962 30.300 -0.013 0.000 1.307 355 R HN 1.219 nan 8.270 nan 0.000 0.475 356 G N 0.077 108.869 108.800 -0.013 0.000 2.526 356 G HA2 -0.022 3.939 3.960 0.001 0.000 0.250 356 G HA3 -0.022 3.939 3.960 0.001 0.000 0.250 356 G C -1.407 173.481 174.900 -0.019 0.000 1.289 356 G CA -0.172 44.917 45.100 -0.020 0.000 0.947 356 G HN 0.774 nan 8.290 nan 0.000 0.517 357 R N -0.905 119.580 120.500 -0.024 0.000 2.629 357 R HA 0.575 4.915 4.340 0.001 0.000 0.266 357 R C 1.077 177.357 176.300 -0.033 0.000 1.051 357 R CA 0.820 56.907 56.100 -0.022 0.000 0.895 357 R CB 1.193 31.485 30.300 -0.013 0.000 1.246 357 R HN 2.749 nan 8.270 nan 0.000 0.459 358 G N 2.049 110.829 108.800 -0.034 0.000 2.651 358 G HA2 -0.346 3.615 3.960 0.001 0.000 0.315 358 G HA3 -0.346 3.615 3.960 0.001 0.000 0.315 358 G C -0.366 174.497 174.900 -0.061 0.000 1.258 358 G CA 0.470 45.544 45.100 -0.045 0.000 1.002 358 G HN 0.421 nan 8.290 nan 0.000 0.551 359 L N 0.244 121.422 121.223 -0.074 0.000 3.073 359 L HA 0.663 5.003 4.340 0.001 0.000 0.242 359 L C -0.023 176.786 176.870 -0.103 0.000 1.317 359 L CA 0.019 54.797 54.840 -0.104 0.000 1.081 359 L CB 0.411 42.401 42.059 -0.115 0.000 1.456 359 L HN 0.556 nan 8.230 nan 0.000 0.525 360 L N 0.582 121.759 121.223 -0.076 0.000 2.481 360 L HA 0.487 4.828 4.340 0.001 0.000 0.255 360 L C -1.270 175.568 176.870 -0.052 0.000 1.192 360 L CA 0.035 54.837 54.840 -0.064 0.000 0.924 360 L CB 0.825 42.858 42.059 -0.044 0.000 1.179 360 L HN -0.015 nan 8.230 nan 0.000 0.491 361 L N 2.303 123.490 121.223 -0.059 0.000 2.334 361 L HA 0.917 5.257 4.340 0.001 0.000 0.272 361 L C 0.490 177.355 176.870 -0.009 0.000 1.020 361 L CA -0.700 54.117 54.840 -0.037 0.000 0.812 361 L CB 2.064 44.095 42.059 -0.046 0.000 1.264 361 L HN 0.616 nan 8.230 nan 0.000 0.439 362 G N 1.004 109.808 108.800 0.005 0.000 2.542 362 G HA2 0.612 4.573 3.960 0.001 0.000 0.311 362 G HA3 0.612 4.573 3.960 0.001 0.000 0.311 362 G C -1.564 173.368 174.900 0.054 0.000 1.298 362 G CA -0.319 44.800 45.100 0.031 0.000 0.973 362 G HN 0.271 nan 8.290 nan 0.000 0.487 363 V N 1.581 121.569 119.914 0.122 0.000 2.376 363 V HA 0.334 4.455 4.120 0.001 0.000 0.287 363 V C -0.153 176.032 176.094 0.153 0.000 1.015 363 V CA -0.736 61.645 62.300 0.136 0.000 0.834 363 V CB 1.470 33.410 31.823 0.196 0.000 1.001 363 V HN 0.877 nan 8.190 nan 0.000 0.428 364 E N 5.359 125.607 120.200 0.079 0.000 2.089 364 E HA 0.322 4.672 4.350 0.001 0.000 0.284 364 E C -0.560 176.118 176.600 0.131 0.000 1.023 364 E CA -0.612 55.854 56.400 0.110 0.000 0.819 364 E CB 0.627 30.428 29.700 0.168 0.000 1.076 364 E HN 0.486 nan 8.360 nan 0.000 0.396 365 I N 6.241 126.887 120.570 0.126 0.000 2.416 365 I HA 0.113 4.283 4.170 0.001 0.000 0.288 365 I C 0.343 176.523 176.117 0.104 0.000 1.051 365 I CA -0.229 61.141 61.300 0.118 0.000 1.375 365 I CB 0.223 38.291 38.000 0.113 0.000 1.407 365 I HN 0.335 nan 8.210 nan 0.000 0.516 366 V N 4.006 123.983 119.914 0.104 0.000 3.102 366 V HA 0.557 4.677 4.120 0.001 0.000 0.312 366 V C 0.563 176.698 176.094 0.069 0.000 1.135 366 V CA -0.925 61.431 62.300 0.093 0.000 1.022 366 V CB 2.200 34.097 31.823 0.124 0.000 1.056 366 V HN 0.797 nan 8.190 nan 0.000 0.436 367 K N 0.252 120.683 120.400 0.051 0.000 2.284 367 K HA 0.231 4.551 4.320 0.001 0.000 0.198 367 K C 0.207 176.831 176.600 0.040 0.000 1.048 367 K CA 0.900 57.211 56.287 0.040 0.000 0.987 367 K CB 0.384 32.900 32.500 0.027 0.000 0.800 367 K HN 0.895 nan 8.250 nan 0.000 0.486 368 D N 0.233 120.657 120.400 0.041 0.000 2.763 368 D HA 0.139 4.779 4.640 0.001 0.000 0.235 368 D C 0.047 176.374 176.300 0.044 0.000 1.334 368 D CA -0.358 53.664 54.000 0.037 0.000 0.950 368 D CB 1.430 42.243 40.800 0.021 0.000 1.433 368 D HN 0.024 nan 8.370 nan 0.000 0.580 369 R N 2.062 122.595 120.500 0.055 0.000 2.094 369 R HA -0.165 4.176 4.340 0.001 0.000 0.239 369 R C 1.955 178.281 176.300 0.042 0.000 1.137 369 R CA 1.558 57.698 56.100 0.067 0.000 0.943 369 R CB 0.058 30.398 30.300 0.066 0.000 0.850 369 R HN 0.439 nan 8.270 nan 0.000 0.433 370 R N -0.216 120.299 120.500 0.025 0.000 2.103 370 R HA -0.130 4.211 4.340 0.001 0.000 0.242 370 R C 2.447 178.741 176.300 -0.011 0.000 1.142 370 R CA 2.120 58.224 56.100 0.007 0.000 0.960 370 R CB -0.679 29.624 30.300 0.005 0.000 0.858 370 R HN 0.429 nan 8.270 nan 0.000 0.439 371 T N -2.265 112.284 114.554 -0.009 0.000 3.044 371 T HA 0.127 4.477 4.350 0.001 0.000 0.255 371 T C 0.432 175.105 174.700 -0.046 0.000 1.073 371 T CA -0.019 62.064 62.100 -0.027 0.000 1.125 371 T CB 0.072 68.930 68.868 -0.016 0.000 0.908 371 T HN 0.136 nan 8.240 nan 0.000 0.480 372 K N 1.561 121.950 120.400 -0.020 0.000 3.244 372 K HA -0.163 4.157 4.320 0.001 0.000 0.270 372 K C -0.280 176.303 176.600 -0.027 0.000 1.016 372 K CA 0.582 56.854 56.287 -0.024 0.000 0.754 372 K CB -1.729 30.679 32.500 -0.154 0.000 1.326 372 K HN 0.765 nan 8.250 nan 0.000 0.465 373 E N 1.175 121.374 120.200 -0.002 0.000 2.229 373 E HA 0.190 4.541 4.350 0.001 0.000 0.283 373 E C -2.391 174.219 176.600 0.017 0.000 1.030 373 E CA -2.558 53.842 56.400 -0.001 0.000 0.836 373 E CB 0.889 30.590 29.700 0.002 0.000 1.068 373 E HN -0.081 nan 8.360 nan 0.000 0.401 374 P HA 0.009 nan 4.420 nan 0.000 0.268 374 P C -1.419 175.894 177.300 0.021 0.000 1.204 374 P CA 0.126 63.242 63.100 0.026 0.000 0.768 374 P CB 1.037 32.746 31.700 0.015 0.000 0.842 375 A N 3.450 126.286 122.820 0.027 0.000 2.269 375 A HA 0.238 4.559 4.320 0.001 0.000 0.302 375 A C -0.155 177.435 177.584 0.010 0.000 1.266 375 A CA -0.461 51.590 52.037 0.022 0.000 0.894 375 A CB -0.092 18.926 19.000 0.031 0.000 1.147 375 A HN 0.424 nan 8.150 nan 0.000 0.537 376 D N 2.357 122.760 120.400 0.005 0.000 2.295 376 D HA 0.402 5.043 4.640 0.001 0.000 0.248 376 D C 1.262 177.560 176.300 -0.003 0.000 1.154 376 D CA 1.189 55.188 54.000 -0.002 0.000 0.857 376 D CB 1.299 42.098 40.800 -0.002 0.000 1.117 376 D HN 0.956 nan 8.370 nan 0.000 0.468 377 G N 1.779 110.573 108.800 -0.009 0.000 2.320 377 G HA2 -0.356 3.604 3.960 0.001 0.000 0.242 377 G HA3 -0.356 3.604 3.960 0.001 0.000 0.242 377 G C 0.995 175.895 174.900 -0.001 0.000 1.033 377 G CA 0.378 45.473 45.100 -0.009 0.000 0.620 377 G HN 0.495 nan 8.290 nan 0.000 0.517 378 L N 2.051 123.277 121.223 0.005 0.000 2.017 378 L HA 0.265 4.606 4.340 0.001 0.000 0.208 378 L C 2.781 179.674 176.870 0.039 0.000 1.073 378 L CA 3.308 58.158 54.840 0.016 0.000 0.745 378 L CB -1.174 40.896 42.059 0.018 0.000 0.894 378 L HN 0.463 nan 8.230 nan 0.000 0.432 379 G N -0.997 107.820 108.800 0.029 0.000 2.446 379 G HA2 -0.302 3.658 3.960 0.001 0.000 0.217 379 G HA3 -0.302 3.658 3.960 0.001 0.000 0.217 379 G C 1.620 176.554 174.900 0.056 0.000 1.168 379 G CA 1.000 46.120 45.100 0.034 0.000 0.771 379 G HN 0.656 nan 8.290 nan 0.000 0.551 380 A N 0.239 123.059 122.820 0.000 0.000 1.940 380 A HA -0.026 4.294 4.320 0.001 0.000 0.219 380 A C 2.347 179.954 177.584 0.039 0.000 1.176 380 A CA 2.005 54.045 52.037 0.005 0.000 0.631 380 A CB -0.313 18.678 19.000 -0.015 0.000 0.814 380 A HN 0.270 nan 8.150 nan 0.000 0.446 381 K N -0.157 120.265 120.400 0.037 0.000 1.984 381 K HA -0.059 4.261 4.320 0.001 0.000 0.209 381 K C 1.934 178.557 176.600 0.039 0.000 1.046 381 K CA 1.508 57.810 56.287 0.025 0.000 0.934 381 K CB -0.601 31.903 32.500 0.007 0.000 0.717 381 K HN 0.582 nan 8.250 nan 0.000 0.438 382 I N 1.163 121.773 120.570 0.067 0.000 2.145 382 I HA -0.348 3.822 4.170 0.001 0.000 0.244 382 I C 2.183 178.345 176.117 0.075 0.000 1.075 382 I CA 1.750 63.075 61.300 0.042 0.000 1.332 382 I CB -0.942 37.110 38.000 0.087 0.000 1.033 382 I HN 0.216 nan 8.210 nan 0.000 0.410 383 T N 0.112 114.813 114.554 0.246 0.000 2.720 383 T HA -0.209 4.141 4.350 0.001 0.000 0.268 383 T C 2.043 176.796 174.700 0.089 0.000 1.037 383 T CA 1.264 63.505 62.100 0.235 0.000 1.144 383 T CB -0.316 68.706 68.868 0.255 0.000 0.864 383 T HN 0.312 nan 8.240 nan 0.000 0.444 384 R N 0.686 121.218 120.500 0.054 0.000 2.073 384 R HA -0.096 4.244 4.340 0.001 0.000 0.234 384 R C 2.495 178.795 176.300 -0.000 0.000 1.134 384 R CA 1.230 57.342 56.100 0.019 0.000 0.952 384 R CB -0.058 30.246 30.300 0.008 0.000 0.850 384 R HN 0.344 nan 8.270 nan 0.000 0.433 385 E N 0.214 120.407 120.200 -0.011 0.000 2.058 385 E HA -0.215 4.136 4.350 0.001 0.000 0.194 385 E C 2.163 178.733 176.600 -0.051 0.000 0.997 385 E CA 1.268 57.648 56.400 -0.034 0.000 0.801 385 E CB -0.563 29.107 29.700 -0.050 0.000 0.746 385 E HN 0.425 nan 8.360 nan 0.000 0.450 386 C N 0.767 120.028 119.300 -0.064 0.000 2.413 386 C HA -0.154 4.306 4.460 0.001 0.000 0.276 386 C C 2.819 177.769 174.990 -0.066 0.000 1.248 386 C CA 1.064 60.023 59.018 -0.097 0.000 1.742 386 C CB -0.883 26.779 27.740 -0.131 0.000 2.017 386 C HN 0.400 nan 8.230 nan 0.000 0.481 387 M N 1.973 121.555 119.600 -0.031 0.000 2.117 387 M HA -0.096 4.384 4.480 0.001 0.000 0.262 387 M C 1.776 178.064 176.300 -0.020 0.000 1.065 387 M CA 1.770 57.060 55.300 -0.017 0.000 1.114 387 M CB -0.710 31.892 32.600 0.005 0.000 1.361 387 M HN 0.322 nan 8.290 nan 0.000 0.408 388 N N 0.203 118.890 118.700 -0.022 0.000 2.084 388 N HA -0.107 4.633 4.740 0.001 0.000 0.190 388 N C 1.641 177.136 175.510 -0.025 0.000 1.030 388 N CA 1.493 54.531 53.050 -0.020 0.000 0.849 388 N CB -0.735 37.739 38.487 -0.020 0.000 1.012 388 N HN 0.409 nan 8.380 nan 0.000 0.423 389 L N -0.136 121.064 121.223 -0.037 0.000 2.549 389 L HA 0.004 4.345 4.340 0.001 0.000 0.230 389 L C 0.870 177.715 176.870 -0.041 0.000 1.162 389 L CA 0.604 55.418 54.840 -0.043 0.000 0.834 389 L CB -0.705 41.316 42.059 -0.062 0.000 0.947 389 L HN 0.345 nan 8.230 nan 0.000 0.452 390 G N 0.943 109.722 108.800 -0.035 0.000 2.165 390 G HA2 -0.246 3.715 3.960 0.001 0.000 0.226 390 G HA3 -0.246 3.715 3.960 0.001 0.000 0.226 390 G C -0.525 174.351 174.900 -0.041 0.000 1.035 390 G CA 0.027 45.116 45.100 -0.019 0.000 0.744 390 G HN 0.178 nan 8.290 nan 0.000 0.501 391 L N 1.001 122.170 121.223 -0.090 0.000 2.406 391 L HA 0.810 5.150 4.340 0.001 0.000 0.270 391 L C 0.287 177.093 176.870 -0.107 0.000 0.982 391 L CA -0.532 54.207 54.840 -0.168 0.000 0.843 391 L CB 1.816 43.691 42.059 -0.308 0.000 1.225 391 L HN 0.349 nan 8.230 nan 0.000 0.412 392 S N 6.597 122.262 115.700 -0.058 0.000 2.465 392 S HA 0.584 5.054 4.470 0.001 0.000 0.280 392 S C -0.044 174.598 174.600 0.070 0.000 1.232 392 S CA -0.379 57.830 58.200 0.016 0.000 1.066 392 S CB -0.091 63.131 63.200 0.038 0.000 0.929 392 S HN 0.640 nan 8.310 nan 0.000 0.494 393 M N 4.099 123.758 119.600 0.098 0.000 2.796 393 M HA 0.510 4.991 4.480 0.001 0.000 0.303 393 M C -0.401 176.023 176.300 0.205 0.000 1.240 393 M CA -0.870 54.547 55.300 0.194 0.000 0.831 393 M CB 1.789 34.514 32.600 0.208 0.000 1.750 393 M HN 0.643 nan 8.290 nan 0.000 0.484 394 N N 1.238 120.092 118.700 0.257 0.000 2.503 394 N HA 0.485 5.226 4.740 0.001 0.000 0.287 394 N C -2.332 173.164 175.510 -0.024 0.000 1.096 394 N CA -0.277 52.828 53.050 0.092 0.000 0.936 394 N CB 2.569 41.081 38.487 0.041 0.000 1.570 394 N HN 0.755 nan 8.380 nan 0.000 0.504 395 I N 3.160 123.599 120.570 -0.219 0.000 2.474 395 I HA 0.577 4.747 4.170 0.001 0.000 0.294 395 I C -0.917 175.038 176.117 -0.271 0.000 1.005 395 I CA -0.651 60.363 61.300 -0.475 0.000 1.113 395 I CB 1.611 39.128 38.000 -0.806 0.000 1.289 395 I HN 0.245 nan 8.210 nan 0.000 0.436 396 V N 3.784 123.555 119.914 -0.238 0.000 2.680 396 V HA 0.718 4.838 4.120 0.001 0.000 0.309 396 V C -1.016 174.992 176.094 -0.143 0.000 1.052 396 V CA -0.492 61.708 62.300 -0.167 0.000 0.908 396 V CB 1.545 33.280 31.823 -0.146 0.000 1.001 396 V HN 0.906 nan 8.190 nan 0.000 0.431 397 Q N 3.281 123.016 119.800 -0.108 0.000 2.290 397 Q HA 0.766 5.107 4.340 0.001 0.000 0.269 397 Q C -1.906 174.067 176.000 -0.044 0.000 1.016 397 Q CA -0.301 55.457 55.803 -0.075 0.000 0.754 397 Q CB 1.758 30.451 28.738 -0.075 0.000 1.247 397 Q HN 0.908 nan 8.270 nan 0.000 0.451 398 L N 4.715 125.924 121.223 -0.025 0.000 2.313 398 L HA 0.735 5.075 4.340 0.001 0.000 0.268 398 L C -2.077 174.801 176.870 0.014 0.000 1.010 398 L CA -2.011 52.829 54.840 -0.000 0.000 0.814 398 L CB 1.175 43.234 42.059 -0.000 0.000 1.304 398 L HN 0.651 nan 8.230 nan 0.000 0.441 399 P HA 0.132 nan 4.420 nan 0.000 0.266 399 P C 0.705 178.027 177.300 0.036 0.000 1.195 399 P CA 0.698 63.816 63.100 0.029 0.000 0.768 399 P CB 0.676 32.399 31.700 0.038 0.000 0.838 400 G N 1.303 110.121 108.800 0.030 0.000 2.234 400 G HA2 -0.246 3.715 3.960 0.001 0.000 0.260 400 G HA3 -0.246 3.715 3.960 0.001 0.000 0.260 400 G C 0.073 174.997 174.900 0.039 0.000 0.987 400 G CA 0.615 45.734 45.100 0.031 0.000 0.625 400 G HN 0.590 nan 8.290 nan 0.000 0.532 401 M N -0.083 119.551 119.600 0.057 0.000 2.727 401 M HA 0.710 5.191 4.480 0.001 0.000 0.300 401 M C 0.797 177.135 176.300 0.063 0.000 1.246 401 M CA -0.484 54.868 55.300 0.087 0.000 0.835 401 M CB 1.338 34.047 32.600 0.181 0.000 1.755 401 M HN 0.334 nan 8.290 nan 0.000 0.473 402 G N -0.110 108.745 108.800 0.092 0.000 2.667 402 G HA2 0.495 4.456 3.960 0.001 0.000 0.250 402 G HA3 0.495 4.456 3.960 0.001 0.000 0.250 402 G C -0.023 174.897 174.900 0.034 0.000 1.212 402 G CA -0.400 44.741 45.100 0.069 0.000 0.874 402 G HN 0.921 nan 8.290 nan 0.000 0.561 403 G N -1.802 106.983 108.800 -0.024 0.000 2.503 403 G HA2 0.456 4.417 3.960 0.001 0.000 0.257 403 G HA3 0.456 4.417 3.960 0.001 0.000 0.257 403 G C -0.675 174.144 174.900 -0.135 0.000 1.214 403 G CA -0.252 44.783 45.100 -0.108 0.000 0.839 403 G HN 0.683 nan 8.290 nan 0.000 0.559 404 V N 1.333 121.134 119.914 -0.189 0.000 2.540 404 V HA 0.390 4.511 4.120 0.001 0.000 0.302 404 V C -0.745 175.190 176.094 -0.264 0.000 1.035 404 V CA -0.720 61.494 62.300 -0.143 0.000 0.873 404 V CB 1.504 33.294 31.823 -0.055 0.000 0.992 404 V HN 0.557 nan 8.190 nan 0.000 0.428 405 F N 3.545 123.494 119.950 -0.001 0.000 2.412 405 F HA 0.496 5.023 4.527 0.001 0.000 0.348 405 F C 1.057 176.853 175.800 -0.007 0.000 1.102 405 F CA -0.253 57.748 58.000 0.002 0.000 1.196 405 F CB 0.893 39.904 39.000 0.019 0.000 1.144 405 F HN 0.278 nan 8.300 nan 0.000 0.541 406 R N 5.092 125.679 120.500 0.144 0.000 2.247 406 R HA 0.474 4.814 4.340 0.001 0.000 0.329 406 R C -1.103 175.247 176.300 0.084 0.000 1.014 406 R CA -0.389 55.749 56.100 0.063 0.000 0.907 406 R CB 0.759 31.054 30.300 -0.008 0.000 1.146 406 R HN 0.563 nan 8.270 nan 0.000 0.499 407 I N 2.010 122.605 120.570 0.041 0.000 2.330 407 I HA 0.402 4.572 4.170 0.001 0.000 0.289 407 I C 0.202 176.220 176.117 -0.166 0.000 1.001 407 I CA -0.416 60.859 61.300 -0.041 0.000 1.193 407 I CB 1.807 39.781 38.000 -0.044 0.000 1.345 407 I HN 0.598 nan 8.210 nan 0.000 0.461 408 A N 7.835 130.536 122.820 -0.199 0.000 3.307 408 A HA 0.558 4.879 4.320 0.001 0.000 0.289 408 A C -2.773 174.689 177.584 -0.203 0.000 1.138 408 A CA -1.144 50.780 52.037 -0.187 0.000 0.860 408 A CB 0.026 18.966 19.000 -0.099 0.000 1.318 408 A HN 0.341 nan 8.150 nan 0.000 0.551 409 P HA 0.329 nan 4.420 nan 0.000 0.273 409 P C -2.728 174.474 177.300 -0.163 0.000 1.250 409 P CA -1.225 61.717 63.100 -0.264 0.000 0.793 409 P CB -0.283 31.164 31.700 -0.422 0.000 1.011 410 P HA 0.064 nan 4.420 nan 0.000 0.267 410 P C 0.947 178.200 177.300 -0.078 0.000 1.200 410 P CA 0.380 63.426 63.100 -0.090 0.000 0.772 410 P CB 0.143 31.804 31.700 -0.065 0.000 0.855 411 L N 1.513 122.696 121.223 -0.065 0.000 2.275 411 L HA -0.108 4.233 4.340 0.001 0.000 0.215 411 L C 1.714 178.566 176.870 -0.030 0.000 1.119 411 L CA 1.626 56.432 54.840 -0.056 0.000 0.790 411 L CB -1.154 40.870 42.059 -0.058 0.000 0.919 411 L HN 0.461 nan 8.230 nan 0.000 0.443 412 T N -2.810 111.738 114.554 -0.010 0.000 3.252 412 T HA 0.106 4.456 4.350 0.001 0.000 0.250 412 T C 0.572 175.283 174.700 0.017 0.000 1.123 412 T CA -0.211 61.901 62.100 0.020 0.000 1.006 412 T CB -0.474 68.429 68.868 0.058 0.000 0.992 412 T HN 0.068 nan 8.240 nan 0.000 0.547 413 V N 2.933 122.843 119.914 -0.007 0.000 2.924 413 V HA 0.477 4.598 4.120 0.001 0.000 0.305 413 V C 0.538 176.646 176.094 0.023 0.000 1.073 413 V CA -0.449 61.853 62.300 0.004 0.000 1.098 413 V CB 1.128 32.937 31.823 -0.023 0.000 1.000 413 V HN 0.709 nan 8.190 nan 0.000 0.484 414 S N 4.352 120.081 115.700 0.048 0.000 2.693 414 S HA 0.392 4.862 4.470 0.001 0.000 0.276 414 S C 0.869 175.502 174.600 0.056 0.000 1.192 414 S CA -0.009 58.223 58.200 0.054 0.000 0.994 414 S CB 1.347 64.592 63.200 0.074 0.000 1.012 414 S HN 0.840 nan 8.310 nan 0.000 0.550 415 E N 0.798 121.027 120.200 0.049 0.000 2.152 415 E HA -0.141 4.209 4.350 0.001 0.000 0.192 415 E C 0.502 177.140 176.600 0.063 0.000 0.983 415 E CA 0.949 57.377 56.400 0.048 0.000 0.818 415 E CB -0.514 29.207 29.700 0.036 0.000 0.758 415 E HN 0.680 nan 8.360 nan 0.000 0.467 416 D N 1.445 121.886 120.400 0.069 0.000 2.224 416 D HA -0.066 4.575 4.640 0.001 0.000 0.205 416 D C 1.686 178.047 176.300 0.101 0.000 0.965 416 D CA 0.628 54.673 54.000 0.076 0.000 0.852 416 D CB -0.035 40.808 40.800 0.073 0.000 0.947 416 D HN 0.343 nan 8.370 nan 0.000 0.494 417 E N 0.063 120.335 120.200 0.119 0.000 2.204 417 E HA -0.077 4.273 4.350 0.001 0.000 0.194 417 E C 1.996 178.697 176.600 0.168 0.000 0.989 417 E CA 0.294 56.782 56.400 0.148 0.000 0.824 417 E CB 0.238 30.016 29.700 0.131 0.000 0.756 417 E HN 0.228 nan 8.360 nan 0.000 0.477 418 I N 1.440 122.100 120.570 0.150 0.000 2.353 418 I HA -0.194 3.976 4.170 0.001 0.000 0.248 418 I C 1.643 177.860 176.117 0.167 0.000 1.119 418 I CA 1.128 62.544 61.300 0.194 0.000 1.417 418 I CB -0.643 37.420 38.000 0.105 0.000 1.078 418 I HN 0.085 nan 8.210 nan 0.000 0.421 419 D N 0.915 121.377 120.400 0.104 0.000 2.084 419 D HA -0.156 4.484 4.640 0.001 0.000 0.196 419 D C 2.141 178.474 176.300 0.054 0.000 0.985 419 D CA 0.868 54.911 54.000 0.072 0.000 0.826 419 D CB -0.445 40.388 40.800 0.056 0.000 0.978 419 D HN 0.131 nan 8.370 nan 0.000 0.456 420 L N 1.325 122.581 121.223 0.056 0.000 2.034 420 L HA -0.156 4.184 4.340 0.001 0.000 0.217 420 L C 2.132 178.973 176.870 -0.047 0.000 1.077 420 L CA 2.578 57.434 54.840 0.027 0.000 0.769 420 L CB -1.175 40.928 42.059 0.073 0.000 0.890 420 L HN 0.083 nan 8.230 nan 0.000 0.435 421 G N -0.531 108.222 108.800 -0.080 0.000 2.421 421 G HA2 -0.215 3.746 3.960 0.001 0.000 0.216 421 G HA3 -0.215 3.746 3.960 0.001 0.000 0.216 421 G C 1.529 176.304 174.900 -0.209 0.000 1.171 421 G CA 0.756 45.625 45.100 -0.386 0.000 0.775 421 G HN 0.371 nan 8.290 nan 0.000 0.543 422 L N 1.152 122.382 121.223 0.012 0.000 2.127 422 L HA -0.049 4.292 4.340 0.001 0.000 0.211 422 L C 2.968 179.835 176.870 -0.007 0.000 1.089 422 L CA 1.866 56.730 54.840 0.040 0.000 0.757 422 L CB -1.027 41.078 42.059 0.075 0.000 0.899 422 L HN 0.349 nan 8.230 nan 0.000 0.434 423 S N -0.486 115.203 115.700 -0.019 0.000 2.335 423 S HA -0.131 4.340 4.470 0.001 0.000 0.216 423 S C 2.134 176.707 174.600 -0.045 0.000 1.032 423 S CA 0.976 59.167 58.200 -0.015 0.000 1.000 423 S CB -0.141 63.054 63.200 -0.008 0.000 0.928 423 S HN 0.362 nan 8.310 nan 0.000 0.434 424 L N 1.500 122.668 121.223 -0.091 0.000 2.051 424 L HA -0.170 4.171 4.340 0.001 0.000 0.214 424 L C 2.588 179.377 176.870 -0.135 0.000 1.076 424 L CA 1.347 56.118 54.840 -0.116 0.000 0.758 424 L CB -0.604 41.357 42.059 -0.164 0.000 0.890 424 L HN 0.396 nan 8.230 nan 0.000 0.433 425 L N -0.329 120.795 121.223 -0.165 0.000 2.017 425 L HA -0.145 4.196 4.340 0.001 0.000 0.208 425 L C 2.535 179.330 176.870 -0.125 0.000 1.073 425 L CA 1.791 56.520 54.840 -0.185 0.000 0.745 425 L CB -0.900 41.052 42.059 -0.179 0.000 0.894 425 L HN 0.361 nan 8.230 nan 0.000 0.432 426 G N -0.820 107.970 108.800 -0.017 0.000 2.476 426 G HA2 -0.326 3.635 3.960 0.001 0.000 0.218 426 G HA3 -0.326 3.635 3.960 0.001 0.000 0.218 426 G C 1.366 176.314 174.900 0.080 0.000 1.164 426 G CA 0.720 45.896 45.100 0.128 0.000 0.768 426 G HN 0.490 nan 8.290 nan 0.000 0.560 427 Q N 0.182 119.994 119.800 0.020 0.000 2.124 427 Q HA -0.026 4.315 4.340 0.001 0.000 0.202 427 Q C 3.000 178.969 176.000 -0.052 0.000 0.977 427 Q CA 1.231 57.036 55.803 0.003 0.000 0.850 427 Q CB -0.278 28.453 28.738 -0.013 0.000 0.901 427 Q HN 0.504 nan 8.270 nan 0.000 0.429 428 A N 0.675 123.431 122.820 -0.107 0.000 1.930 428 A HA -0.135 4.186 4.320 0.001 0.000 0.217 428 A C 1.999 179.470 177.584 -0.188 0.000 1.175 428 A CA 0.999 52.956 52.037 -0.135 0.000 0.627 428 A CB -0.417 18.485 19.000 -0.162 0.000 0.815 428 A HN 0.274 nan 8.150 nan 0.000 0.443 429 I N -0.921 119.465 120.570 -0.307 0.000 2.286 429 I HA -0.187 3.984 4.170 0.001 0.000 0.245 429 I C 2.466 178.330 176.117 -0.421 0.000 1.104 429 I CA 1.225 62.219 61.300 -0.510 0.000 1.397 429 I CB -0.313 37.049 38.000 -1.062 0.000 1.072 429 I HN 0.377 nan 8.210 nan 0.000 0.417 430 E N 0.791 120.840 120.200 -0.252 0.000 2.070 430 E HA -0.307 4.043 4.350 0.001 0.000 0.197 430 E C 2.228 178.828 176.600 0.000 0.000 1.004 430 E CA 1.549 57.979 56.400 0.051 0.000 0.805 430 E CB -0.146 29.648 29.700 0.157 0.000 0.744 430 E HN 0.363 nan 8.360 nan 0.000 0.451 431 R N 0.044 120.525 120.500 -0.032 0.000 2.280 431 R HA 0.032 4.373 4.340 0.001 0.000 0.207 431 R C 1.634 177.913 176.300 -0.036 0.000 1.043 431 R CA 1.024 57.109 56.100 -0.025 0.000 1.006 431 R CB 0.115 30.402 30.300 -0.023 0.000 0.885 431 R HN 0.090 nan 8.270 nan 0.000 0.467 432 A N 0.915 123.695 122.820 -0.065 0.000 2.115 432 A HA 0.259 4.579 4.320 0.001 0.000 0.211 432 A C 0.938 178.498 177.584 -0.040 0.000 1.169 432 A CA -0.232 51.772 52.037 -0.054 0.000 0.787 432 A CB 0.076 19.032 19.000 -0.073 0.000 0.858 432 A HN 0.201 nan 8.150 nan 0.000 0.474 433 L N 0.000 121.197 121.223 -0.043 0.000 2.949 433 L HA 0.000 4.340 4.340 0.001 0.000 0.249 433 L CA 0.000 54.833 54.840 -0.011 0.000 0.813 433 L CB 0.000 42.069 42.059 0.017 0.000 0.961 433 L HN 0.000 nan 8.230 nan 0.000 0.502