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 1zc9_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 0.000 176.876 176.870 0.009 0.000 1.165 3 L CA 0.000 54.843 54.840 0.005 0.000 0.813 3 L CB 0.000 42.068 42.059 0.015 0.000 0.961 4 N N 0.376 119.097 118.700 0.034 0.000 2.515 4 N HA -0.011 4.729 4.740 0.001 0.000 0.185 4 N C -0.133 175.522 175.510 0.241 0.000 1.109 4 N CA 0.805 53.910 53.050 0.091 0.000 0.903 4 N CB 0.116 38.657 38.487 0.090 0.000 0.969 4 N HN 0.519 nan 8.380 nan 0.000 0.450 5 D N 0.529 121.022 120.400 0.155 0.000 2.340 5 D HA -0.064 4.576 4.640 0.001 0.000 0.220 5 D C 0.026 176.493 176.300 0.278 0.000 1.039 5 D CA 0.081 54.193 54.000 0.187 0.000 0.866 5 D CB -0.174 40.668 40.800 0.071 0.000 0.913 5 D HN 0.099 nan 8.370 nan 0.000 0.523 6 D N 1.220 121.753 120.400 0.220 0.000 3.304 6 D HA -0.134 4.507 4.640 0.001 0.000 0.241 6 D C 1.269 177.734 176.300 0.274 0.000 1.310 6 D CA 0.054 54.151 54.000 0.163 0.000 0.884 6 D CB 0.583 41.407 40.800 0.041 0.000 1.167 6 D HN 0.084 nan 8.370 nan 0.000 0.598 7 A N 3.690 126.628 122.820 0.198 0.000 1.933 7 A HA -0.179 4.142 4.320 0.001 0.000 0.218 7 A C 2.224 179.895 177.584 0.145 0.000 1.175 7 A CA 1.793 53.944 52.037 0.190 0.000 0.628 7 A CB -0.312 18.754 19.000 0.109 0.000 0.814 7 A HN 0.621 nan 8.150 nan 0.000 0.444 8 T N -0.995 113.617 114.554 0.098 0.000 2.821 8 T HA -0.091 4.260 4.350 0.001 0.000 0.267 8 T C 1.578 176.289 174.700 0.018 0.000 1.046 8 T CA 1.432 63.559 62.100 0.044 0.000 1.139 8 T CB -0.355 68.536 68.868 0.039 0.000 0.871 8 T HN 0.505 nan 8.240 nan 0.000 0.454 9 F N 0.330 120.191 119.950 -0.148 0.000 2.102 9 F HA -0.042 4.485 4.527 0.000 0.000 0.298 9 F C 1.753 177.303 175.800 -0.416 0.000 1.105 9 F CA 1.086 58.887 58.000 -0.333 0.000 1.239 9 F CB -0.427 38.279 39.000 -0.490 0.000 0.991 9 F HN 0.187 nan 8.300 nan 0.000 0.474 10 W N 0.529 121.962 121.300 0.222 0.000 2.425 10 W HA -0.016 4.644 4.660 0.001 0.000 0.277 10 W C 2.735 179.195 176.519 -0.098 0.000 1.231 10 W CA 1.044 58.438 57.345 0.081 0.000 1.248 10 W CB -0.413 29.123 29.460 0.127 0.000 1.117 10 W HN -0.096 nan 8.180 nan 0.000 0.568 11 R N 0.738 121.243 120.500 0.008 0.000 2.066 11 R HA -0.151 4.189 4.340 0.001 0.000 0.232 11 R C 1.802 177.833 176.300 -0.449 0.000 1.131 11 R CA 1.586 57.539 56.100 -0.245 0.000 0.955 11 R CB -0.552 29.604 30.300 -0.241 0.000 0.851 11 R HN 0.115 nan 8.270 nan 0.000 0.432 12 N N 0.658 119.176 118.700 -0.303 0.000 2.166 12 N HA -0.133 4.608 4.740 0.001 0.000 0.186 12 N C 1.584 176.958 175.510 -0.227 0.000 1.019 12 N CA 1.380 54.303 53.050 -0.211 0.000 0.856 12 N CB -0.271 38.133 38.487 -0.139 0.000 0.993 12 N HN 0.297 nan 8.380 nan 0.000 0.426 13 A N 1.629 124.236 122.820 -0.355 0.000 1.877 13 A HA -0.106 4.214 4.320 0.001 0.000 0.216 13 A C 2.253 179.790 177.584 -0.078 0.000 1.186 13 A CA 1.141 52.988 52.037 -0.317 0.000 0.620 13 A CB -0.374 18.357 19.000 -0.450 0.000 0.822 13 A HN 0.244 nan 8.150 nan 0.000 0.443 14 R N -1.351 119.138 120.500 -0.019 0.000 2.092 14 R HA -0.082 4.259 4.340 0.001 0.000 0.231 14 R C 2.044 178.387 176.300 0.072 0.000 1.119 14 R CA 1.512 57.655 56.100 0.071 0.000 0.970 14 R CB -0.484 29.872 30.300 0.094 0.000 0.864 14 R HN 0.764 nan 8.270 nan 0.000 0.440 15 H N -1.332 117.619 119.070 -0.199 0.000 2.436 15 H HA 0.013 4.570 4.556 0.001 0.000 0.294 15 H C 0.980 176.014 175.328 -0.489 0.000 1.048 15 H CA 0.536 56.331 56.048 -0.422 0.000 1.353 15 H CB 0.360 29.644 29.762 -0.796 0.000 1.414 15 H HN 0.277 nan 8.280 nan 0.000 0.536 16 H N -0.752 118.384 119.070 0.110 0.000 2.923 16 H HA 0.264 4.821 4.556 0.001 0.000 0.268 16 H C -0.162 175.188 175.328 0.035 0.000 1.148 16 H CA 0.031 56.108 56.048 0.050 0.000 1.146 16 H CB 0.980 30.747 29.762 0.008 0.000 1.607 16 H HN 0.127 nan 8.280 nan 0.000 0.566 17 L N 1.301 122.604 121.223 0.133 0.000 2.317 17 L HA 0.359 4.699 4.340 0.001 0.000 0.281 17 L C 0.092 177.088 176.870 0.209 0.000 1.024 17 L CA -0.970 53.966 54.840 0.160 0.000 0.810 17 L CB 2.654 44.794 42.059 0.135 0.000 1.240 17 L HN -0.218 nan 8.230 nan 0.000 0.427 18 V N 3.457 123.511 119.914 0.232 0.000 2.530 18 V HA 0.233 4.353 4.120 0.001 0.000 0.282 18 V C 0.446 176.725 176.094 0.308 0.000 1.048 18 V CA -0.382 62.052 62.300 0.223 0.000 0.997 18 V CB 1.110 33.057 31.823 0.207 0.000 0.987 18 V HN 0.671 nan 8.190 nan 0.000 0.477 19 R N 3.831 124.429 120.500 0.163 0.000 2.390 19 R HA 0.319 4.660 4.340 0.001 0.000 0.291 19 R C -0.316 175.976 176.300 -0.013 0.000 1.070 19 R CA -0.187 55.880 56.100 -0.056 0.000 1.014 19 R CB 0.558 30.778 30.300 -0.133 0.000 1.007 19 R HN 0.861 nan 8.270 nan 0.000 0.466 20 Y N -1.059 119.221 120.300 -0.032 0.000 2.738 20 Y HA 0.546 5.096 4.550 0.001 0.000 0.249 20 Y C 0.155 176.045 175.900 -0.016 0.000 1.153 20 Y CA -0.647 57.457 58.100 0.007 0.000 1.165 20 Y CB 0.766 39.264 38.460 0.063 0.000 1.235 20 Y HN 0.716 nan 8.280 nan 0.000 0.559 21 G N -0.470 108.210 108.800 -0.200 0.000 2.653 21 G HA2 0.461 4.421 3.960 0.001 0.000 0.656 21 G HA3 0.461 4.421 3.960 0.001 0.000 0.656 21 G C -0.077 174.668 174.900 -0.258 0.000 1.419 21 G CA -0.342 44.688 45.100 -0.118 0.000 0.862 21 G HN 1.367 nan 8.290 nan 0.000 0.639 22 G N -0.038 108.648 108.800 -0.190 0.000 2.645 22 G HA2 0.426 4.386 3.960 0.001 0.000 0.246 22 G HA3 0.426 4.386 3.960 0.001 0.000 0.246 22 G C 0.439 175.152 174.900 -0.310 0.000 1.322 22 G CA 0.898 45.876 45.100 -0.203 0.000 0.898 22 G HN 2.854 nan 8.290 nan 0.000 0.573 23 T N -2.616 111.776 114.554 -0.270 0.000 2.916 23 T HA 0.701 5.052 4.350 0.001 0.000 0.292 23 T C -0.419 174.152 174.700 -0.216 0.000 1.055 23 T CA -0.758 61.172 62.100 -0.282 0.000 1.009 23 T CB 1.880 70.676 68.868 -0.120 0.000 1.118 23 T HN 0.865 nan 8.240 nan 0.000 0.497 24 F N 1.604 121.558 119.950 0.007 0.000 2.384 24 F HA 0.356 4.884 4.527 0.001 0.000 0.338 24 F C 1.296 177.158 175.800 0.103 0.000 1.103 24 F CA -0.939 57.113 58.000 0.087 0.000 1.157 24 F CB 0.588 39.706 39.000 0.198 0.000 1.167 24 F HN 0.505 nan 8.300 nan 0.000 0.529 25 E N 4.090 124.490 120.200 0.334 0.000 2.415 25 E HA 0.036 4.387 4.350 0.001 0.000 0.262 25 E C -1.970 174.769 176.600 0.231 0.000 1.038 25 E CA -1.247 55.278 56.400 0.209 0.000 0.921 25 E CB 0.173 29.982 29.700 0.182 0.000 0.950 25 E HN 0.292 nan 8.360 nan 0.000 0.438 26 P HA 0.074 nan 4.420 nan 0.000 0.220 26 P C -0.502 176.848 177.300 0.083 0.000 1.778 26 P CA 0.304 63.362 63.100 -0.070 0.000 0.912 26 P CB -0.310 31.292 31.700 -0.163 0.000 1.861 27 M N -0.938 118.842 119.600 0.299 0.000 2.644 27 M HA 0.543 5.024 4.480 0.001 0.000 0.273 27 M C -1.600 174.828 176.300 0.214 0.000 1.253 27 M CA -1.326 54.110 55.300 0.227 0.000 0.852 27 M CB 2.107 34.773 32.600 0.110 0.000 1.708 27 M HN -0.321 nan 8.290 nan 0.000 0.471 28 I N 3.154 123.720 120.570 -0.006 0.000 2.354 28 I HA 0.361 4.531 4.170 0.001 0.000 0.286 28 I C -0.635 175.407 176.117 -0.125 0.000 1.007 28 I CA -0.878 60.262 61.300 -0.268 0.000 1.167 28 I CB 1.497 39.106 38.000 -0.651 0.000 1.320 28 I HN 0.537 nan 8.210 nan 0.000 0.458 29 I N 6.443 126.978 120.570 -0.058 0.000 2.396 29 I HA 0.125 4.295 4.170 0.001 0.000 0.289 29 I C 1.087 177.193 176.117 -0.017 0.000 1.056 29 I CA 0.447 61.739 61.300 -0.013 0.000 1.365 29 I CB 0.733 38.739 38.000 0.010 0.000 1.407 29 I HN 0.728 nan 8.210 nan 0.000 0.509 30 E N 4.778 124.981 120.200 0.005 0.000 2.465 30 E HA 0.184 4.535 4.350 0.001 0.000 0.209 30 E C 0.563 177.181 176.600 0.029 0.000 0.951 30 E CA 0.031 56.433 56.400 0.003 0.000 0.997 30 E CB 1.118 30.808 29.700 -0.016 0.000 1.025 30 E HN 0.482 nan 8.360 nan 0.000 0.500 31 R N -0.093 120.455 120.500 0.080 0.000 2.710 31 R HA 0.664 5.005 4.340 0.001 0.000 0.270 31 R C -2.052 174.356 176.300 0.181 0.000 1.021 31 R CA -0.486 55.675 56.100 0.101 0.000 0.889 31 R CB 1.994 32.320 30.300 0.045 0.000 1.243 31 R HN 0.007 nan 8.270 nan 0.000 0.464 32 A N 2.474 125.376 122.820 0.137 0.000 2.488 32 A HA 0.696 5.016 4.320 0.001 0.000 0.298 32 A C -1.748 175.955 177.584 0.198 0.000 1.044 32 A CA -0.570 51.491 52.037 0.041 0.000 0.693 32 A CB 1.987 20.781 19.000 -0.343 0.000 1.272 32 A HN 0.482 nan 8.150 nan 0.000 0.402 33 K N 1.176 121.767 120.400 0.318 0.000 2.571 33 K HA 0.599 4.919 4.320 0.001 0.000 0.252 33 K C 0.469 177.290 176.600 0.368 0.000 0.956 33 K CA 0.921 57.402 56.287 0.324 0.000 0.822 33 K CB 1.174 33.837 32.500 0.271 0.000 1.286 33 K HN 2.462 nan 8.250 nan 0.000 0.439 34 G N 2.052 111.029 108.800 0.295 0.000 2.583 34 G HA2 -0.315 3.645 3.960 0.001 0.000 0.292 34 G HA3 -0.315 3.645 3.960 0.001 0.000 0.292 34 G C 0.391 175.445 174.900 0.257 0.000 1.203 34 G CA 0.398 45.648 45.100 0.250 0.000 0.987 34 G HN 0.694 nan 8.290 nan 0.000 0.554 35 S N 0.710 116.526 115.700 0.193 0.000 2.650 35 S HA 0.468 4.938 4.470 0.001 0.000 0.219 35 S C 0.035 174.474 174.600 -0.267 0.000 0.960 35 S CA 0.606 58.779 58.200 -0.046 0.000 0.925 35 S CB -0.221 62.855 63.200 -0.206 0.000 0.775 35 S HN 0.394 nan 8.310 nan 0.000 0.525 36 F N 0.776 120.783 119.950 0.096 0.000 2.577 36 F HA 0.610 5.137 4.527 0.000 0.000 0.318 36 F C -0.067 175.572 175.800 -0.270 0.000 1.065 36 F CA -1.323 56.596 58.000 -0.135 0.000 0.929 36 F CB 1.548 40.349 39.000 -0.332 0.000 1.237 36 F HN -0.146 nan 8.300 nan 0.000 0.468 37 V N -0.626 119.149 119.914 -0.231 0.000 2.919 37 V HA 0.659 4.780 4.120 0.001 0.000 0.316 37 V C -1.736 174.080 176.094 -0.464 0.000 1.077 37 V CA -1.115 61.016 62.300 -0.282 0.000 0.977 37 V CB 1.877 33.580 31.823 -0.199 0.000 1.039 37 V HN 0.652 nan 8.190 nan 0.000 0.441 38 Y N 1.512 121.808 120.300 -0.006 0.000 2.391 38 Y HA 0.601 5.151 4.550 0.001 0.000 0.341 38 Y C 0.115 176.004 175.900 -0.019 0.000 0.965 38 Y CA -0.796 57.301 58.100 -0.004 0.000 1.067 38 Y CB 1.575 40.023 38.460 -0.021 0.000 1.199 38 Y HN 0.980 nan 8.280 nan 0.000 0.450 39 D N 1.105 121.564 120.400 0.099 0.000 2.447 39 D HA 0.268 4.908 4.640 0.001 0.000 0.265 39 D C 1.121 177.442 176.300 0.035 0.000 1.250 39 D CA -0.235 53.792 54.000 0.046 0.000 1.046 39 D CB 0.592 41.409 40.800 0.029 0.000 1.095 39 D HN 0.529 nan 8.370 nan 0.000 0.555 40 A N -0.519 122.295 122.820 -0.010 0.000 2.070 40 A HA -0.134 4.186 4.320 0.001 0.000 0.220 40 A C 1.397 178.976 177.584 -0.008 0.000 1.159 40 A CA 1.281 53.300 52.037 -0.030 0.000 0.656 40 A CB -0.519 18.439 19.000 -0.071 0.000 0.800 40 A HN 0.529 nan 8.150 nan 0.000 0.453 41 D N -1.329 119.076 120.400 0.009 0.000 2.349 41 D HA 0.221 4.862 4.640 0.001 0.000 0.215 41 D C 1.396 177.710 176.300 0.023 0.000 1.016 41 D CA 1.083 55.090 54.000 0.011 0.000 0.870 41 D CB 0.160 40.968 40.800 0.012 0.000 0.917 41 D HN 0.576 nan 8.370 nan 0.000 0.524 42 G N 1.802 110.632 108.800 0.050 0.000 2.157 42 G HA2 -0.322 3.639 3.960 0.001 0.000 0.248 42 G HA3 -0.322 3.639 3.960 0.001 0.000 0.248 42 G C 0.451 175.451 174.900 0.167 0.000 0.979 42 G CA -0.036 45.112 45.100 0.081 0.000 0.650 42 G HN 0.385 nan 8.290 nan 0.000 0.529 43 R N 0.780 121.353 120.500 0.120 0.000 2.449 43 R HA 0.555 4.895 4.340 0.001 0.000 0.296 43 R C 0.783 177.131 176.300 0.079 0.000 1.047 43 R CA 0.382 56.535 56.100 0.089 0.000 1.018 43 R CB 0.226 30.549 30.300 0.038 0.000 0.962 43 R HN 0.633 nan 8.270 nan 0.000 0.428 44 A N 6.222 129.058 122.820 0.028 0.000 2.362 44 A HA 0.348 4.668 4.320 0.001 0.000 0.276 44 A C -0.184 177.372 177.584 -0.047 0.000 1.153 44 A CA -0.398 51.517 52.037 -0.205 0.000 0.813 44 A CB 0.257 19.100 19.000 -0.262 0.000 1.081 44 A HN 0.779 nan 8.150 nan 0.000 0.507 45 I N 3.170 123.705 120.570 -0.059 0.000 2.389 45 I HA 0.179 4.350 4.170 0.001 0.000 0.288 45 I C -0.529 175.591 176.117 0.006 0.000 0.999 45 I CA -0.821 60.478 61.300 -0.001 0.000 1.129 45 I CB 1.731 39.701 38.000 -0.051 0.000 1.288 45 I HN 0.578 nan 8.210 nan 0.000 0.444 46 L N 6.581 127.742 121.223 -0.103 0.000 2.433 46 L HA 0.161 4.501 4.340 0.001 0.000 0.275 46 L C 0.231 176.956 176.870 -0.243 0.000 1.128 46 L CA 0.480 55.040 54.840 -0.466 0.000 0.875 46 L CB 0.132 41.873 42.059 -0.529 0.000 1.171 46 L HN 0.450 nan 8.230 nan 0.000 0.463 47 D N 4.631 124.927 120.400 -0.173 0.000 2.517 47 D HA -0.006 4.635 4.640 0.001 0.000 0.220 47 D C 0.475 176.872 176.300 0.162 0.000 1.158 47 D CA -0.033 53.988 54.000 0.035 0.000 0.992 47 D CB -0.058 40.822 40.800 0.133 0.000 1.058 47 D HN 0.435 nan 8.370 nan 0.000 0.516 48 F N 1.092 120.982 119.950 -0.099 0.000 2.769 48 F HA 0.020 4.547 4.527 0.000 0.000 0.304 48 F C 1.994 177.764 175.800 -0.050 0.000 1.158 48 F CA 0.437 58.385 58.000 -0.087 0.000 1.398 48 F CB -0.212 38.732 39.000 -0.092 0.000 1.094 48 F HN 0.275 nan 8.300 nan 0.000 0.553 49 T N -5.660 108.947 114.554 0.087 0.000 3.111 49 T HA 0.136 4.486 4.350 0.001 0.000 0.284 49 T C 0.780 175.479 174.700 -0.001 0.000 0.983 49 T CA 0.330 62.445 62.100 0.025 0.000 0.900 49 T CB -0.280 68.617 68.868 0.048 0.000 1.132 49 T HN -0.079 nan 8.240 nan 0.000 0.531 50 S N 1.144 116.839 115.700 -0.009 0.000 3.614 50 S HA 0.004 4.474 4.470 0.001 0.000 0.360 50 S C 1.513 176.094 174.600 -0.030 0.000 1.023 50 S CA 1.070 59.234 58.200 -0.059 0.000 1.114 50 S CB -1.971 61.175 63.200 -0.091 0.000 0.907 50 S HN 1.918 nan 8.310 nan 0.000 0.470 51 G N 0.881 109.723 108.800 0.071 0.000 2.536 51 G HA2 -0.335 3.626 3.960 0.001 0.000 0.277 51 G HA3 -0.335 3.626 3.960 0.001 0.000 0.277 51 G C -0.210 174.734 174.900 0.073 0.000 1.155 51 G CA 0.583 45.757 45.100 0.124 0.000 0.960 51 G HN 0.906 nan 8.290 nan 0.000 0.544 52 Q N 0.423 120.258 119.800 0.059 0.000 3.035 52 Q HA 0.665 5.005 4.340 0.001 0.000 0.354 52 Q C 0.748 176.756 176.000 0.012 0.000 1.247 52 Q CA 0.427 56.253 55.803 0.038 0.000 1.068 52 Q CB -0.763 28.006 28.738 0.052 0.000 1.424 52 Q HN 0.753 nan 8.270 nan 0.000 0.486 53 M N -0.809 118.790 119.600 -0.003 0.000 2.503 53 M HA -0.300 4.180 4.480 0.001 0.000 0.199 53 M C 0.279 176.566 176.300 -0.023 0.000 0.466 53 M CA 1.217 56.504 55.300 -0.022 0.000 0.510 53 M CB -2.108 30.476 32.600 -0.026 0.000 1.858 53 M HN 0.326 nan 8.290 nan 0.000 0.799 54 S N -1.714 113.970 115.700 -0.026 0.000 2.575 54 S HA 0.479 4.949 4.470 0.001 0.000 0.230 54 S C 1.103 175.667 174.600 -0.061 0.000 1.062 54 S CA 0.138 58.321 58.200 -0.029 0.000 0.913 54 S CB 0.663 63.858 63.200 -0.007 0.000 0.837 54 S HN 0.683 nan 8.310 nan 0.000 0.487 55 A N 2.752 125.508 122.820 -0.108 0.000 3.048 55 A HA 0.376 4.696 4.320 0.001 0.000 0.264 55 A C 1.511 179.017 177.584 -0.131 0.000 1.796 55 A CA -0.255 51.682 52.037 -0.167 0.000 1.445 55 A CB -0.972 17.792 19.000 -0.394 0.000 1.074 55 A HN 0.407 nan 8.150 nan 0.000 0.621 56 V N -0.392 119.468 119.914 -0.090 0.000 2.594 56 V HA -0.151 3.970 4.120 0.001 0.000 0.253 56 V C 1.454 177.510 176.094 -0.063 0.000 1.069 56 V CA 1.726 63.979 62.300 -0.078 0.000 1.082 56 V CB -0.822 30.958 31.823 -0.072 0.000 0.680 56 V HN 0.631 nan 8.190 nan 0.000 0.469 57 L N 1.141 122.330 121.223 -0.057 0.000 2.628 57 L HA 0.606 4.947 4.340 0.001 0.000 0.229 57 L C 1.208 178.121 176.870 0.072 0.000 1.137 57 L CA 0.390 55.229 54.840 -0.002 0.000 0.909 57 L CB -0.669 41.337 42.059 -0.088 0.000 1.137 57 L HN 0.664 nan 8.230 nan 0.000 0.470 58 G N -0.144 108.642 108.800 -0.024 0.000 2.757 58 G HA2 -0.193 3.768 3.960 0.001 0.000 0.638 58 G HA3 -0.193 3.768 3.960 0.001 0.000 0.638 58 G C -0.569 174.298 174.900 -0.056 0.000 1.344 58 G CA -0.861 44.216 45.100 -0.037 0.000 0.855 58 G HN 0.217 nan 8.290 nan 0.000 0.537 59 H N -0.803 118.329 119.070 0.104 0.000 2.582 59 H HA 0.309 4.866 4.556 0.000 0.000 0.345 59 H C 1.413 176.814 175.328 0.121 0.000 1.104 59 H CA 0.809 56.922 56.048 0.108 0.000 1.390 59 H CB 0.611 30.442 29.762 0.114 0.000 1.461 59 H HN 1.290 nan 8.280 nan 0.000 0.551 60 C N 3.071 122.509 119.300 0.230 0.000 3.899 60 C HA -0.189 4.271 4.460 0.001 0.000 0.297 60 C C 1.119 176.209 174.990 0.166 0.000 1.371 60 C CA 0.195 59.318 59.018 0.174 0.000 2.088 60 C CB -3.028 24.803 27.740 0.152 0.000 1.346 60 C HN 0.770 nan 8.230 nan 0.000 0.658 61 H N 3.059 122.171 119.070 0.071 0.000 2.886 61 H HA 0.096 4.652 4.556 0.000 0.000 0.329 61 H C -0.671 174.687 175.328 0.049 0.000 1.044 61 H CA -0.441 55.639 56.048 0.055 0.000 1.456 61 H CB 1.267 31.050 29.762 0.036 0.000 1.464 61 H HN 0.274 nan 8.280 nan 0.000 0.573 62 P HA -0.170 nan 4.420 nan 0.000 0.217 62 P C 0.757 178.172 177.300 0.192 0.000 1.148 62 P CA 1.355 64.500 63.100 0.075 0.000 0.828 62 P CB 0.339 32.021 31.700 -0.031 0.000 0.783 63 E N -0.891 119.552 120.200 0.404 0.000 2.208 63 E HA -0.062 4.288 4.350 0.001 0.000 0.193 63 E C 2.017 178.704 176.600 0.145 0.000 0.988 63 E CA 0.537 57.082 56.400 0.241 0.000 0.828 63 E CB -0.184 29.646 29.700 0.217 0.000 0.763 63 E HN 0.239 nan 8.360 nan 0.000 0.478 64 I N 0.625 121.291 120.570 0.159 0.000 2.333 64 I HA -0.154 4.016 4.170 0.001 0.000 0.246 64 I C 2.428 178.603 176.117 0.098 0.000 1.106 64 I CA 0.728 62.078 61.300 0.083 0.000 1.411 64 I CB -0.987 37.052 38.000 0.065 0.000 1.082 64 I HN -0.038 nan 8.210 nan 0.000 0.420 65 V N 0.619 120.602 119.914 0.115 0.000 2.287 65 V HA -0.302 3.818 4.120 0.001 0.000 0.248 65 V C 2.809 178.954 176.094 0.084 0.000 1.053 65 V CA 2.221 64.576 62.300 0.091 0.000 1.027 65 V CB -0.819 31.053 31.823 0.083 0.000 0.646 65 V HN 0.452 nan 8.190 nan 0.000 0.447 66 S N -0.722 115.032 115.700 0.090 0.000 2.353 66 S HA -0.201 4.269 4.470 0.001 0.000 0.222 66 S C 2.058 176.717 174.600 0.097 0.000 1.035 66 S CA 2.082 60.331 58.200 0.081 0.000 1.025 66 S CB -0.317 62.932 63.200 0.081 0.000 0.902 66 S HN 0.327 nan 8.310 nan 0.000 0.440 67 V N 1.195 121.180 119.914 0.118 0.000 2.515 67 V HA -0.038 4.082 4.120 0.001 0.000 0.250 67 V C 2.129 178.350 176.094 0.211 0.000 1.058 67 V CA 1.809 64.218 62.300 0.181 0.000 1.064 67 V CB -0.463 31.446 31.823 0.143 0.000 0.675 67 V HN 0.611 nan 8.190 nan 0.000 0.461 68 I N 0.322 120.973 120.570 0.135 0.000 2.179 68 I HA -0.140 4.030 4.170 0.001 0.000 0.242 68 I C 2.535 178.723 176.117 0.118 0.000 1.088 68 I CA 1.692 63.066 61.300 0.123 0.000 1.357 68 I CB -0.836 37.214 38.000 0.083 0.000 1.051 68 I HN 0.431 nan 8.210 nan 0.000 0.409 69 G N -0.099 108.753 108.800 0.087 0.000 2.418 69 G HA2 -0.302 3.659 3.960 0.001 0.000 0.217 69 G HA3 -0.302 3.659 3.960 0.001 0.000 0.217 69 G C 1.512 176.436 174.900 0.039 0.000 1.158 69 G CA 0.900 46.034 45.100 0.057 0.000 0.771 69 G HN 0.465 nan 8.290 nan 0.000 0.545 70 E N -0.556 119.665 120.200 0.036 0.000 2.038 70 E HA -0.187 4.163 4.350 0.001 0.000 0.195 70 E C 2.136 178.630 176.600 -0.177 0.000 1.000 70 E CA 1.046 57.405 56.400 -0.070 0.000 0.803 70 E CB -0.273 29.381 29.700 -0.078 0.000 0.750 70 E HN 0.584 nan 8.360 nan 0.000 0.448 71 Y N -0.146 120.169 120.300 0.026 0.000 2.395 71 Y HA 0.047 4.598 4.550 0.002 0.000 0.293 71 Y C 2.259 178.179 175.900 0.033 0.000 1.123 71 Y CA 0.774 58.892 58.100 0.029 0.000 1.227 71 Y CB -0.128 38.349 38.460 0.029 0.000 1.012 71 Y HN 0.186 nan 8.280 nan 0.000 0.552 72 A N -0.194 122.707 122.820 0.135 0.000 1.972 72 A HA -0.093 4.228 4.320 0.001 0.000 0.219 72 A C 2.419 180.035 177.584 0.053 0.000 1.169 72 A CA 1.754 53.847 52.037 0.093 0.000 0.635 72 A CB -1.180 17.864 19.000 0.073 0.000 0.810 72 A HN 0.441 nan 8.150 nan 0.000 0.446 73 G N -1.371 107.439 108.800 0.017 0.000 2.838 73 G HA2 0.093 4.054 3.960 0.001 0.000 0.210 73 G HA3 0.093 4.054 3.960 0.001 0.000 0.210 73 G C 1.349 176.234 174.900 -0.025 0.000 1.153 73 G CA 0.886 45.984 45.100 -0.004 0.000 0.778 73 G HN 0.556 nan 8.290 nan 0.000 0.539 74 K N -1.006 119.361 120.400 -0.055 0.000 2.443 74 K HA 0.390 4.710 4.320 0.001 0.000 0.200 74 K C -0.176 176.414 176.600 -0.016 0.000 1.278 74 K CA -0.116 56.126 56.287 -0.076 0.000 0.925 74 K CB 0.611 32.994 32.500 -0.195 0.000 1.225 74 K HN 0.109 nan 8.250 nan 0.000 0.514 75 L N 2.694 123.947 121.223 0.051 0.000 2.680 75 L HA 0.186 4.526 4.340 0.001 0.000 0.260 75 L C -1.162 175.831 176.870 0.204 0.000 0.975 75 L CA -0.319 54.605 54.840 0.140 0.000 0.920 75 L CB 1.591 43.778 42.059 0.214 0.000 1.234 75 L HN 0.307 nan 8.230 nan 0.000 0.429 76 D N 1.316 121.810 120.400 0.156 0.000 2.735 76 D HA 0.051 4.692 4.640 0.001 0.000 0.267 76 D C 0.344 176.766 176.300 0.203 0.000 1.081 76 D CA 0.659 54.764 54.000 0.175 0.000 0.980 76 D CB 0.326 41.219 40.800 0.155 0.000 1.129 76 D HN 0.495 nan 8.370 nan 0.000 0.459 77 H N -0.842 118.285 119.070 0.095 0.000 2.806 77 H HA 0.697 5.253 4.556 0.000 0.000 0.367 77 H C -1.504 173.872 175.328 0.080 0.000 1.136 77 H CA -0.824 55.282 56.048 0.095 0.000 1.178 77 H CB 1.390 31.217 29.762 0.109 0.000 1.718 77 H HN 0.055 nan 8.280 nan 0.000 0.540 78 L N 3.031 123.832 121.223 -0.704 0.000 2.409 78 L HA 0.338 4.679 4.340 0.001 0.000 0.255 78 L C -0.625 175.997 176.870 -0.413 0.000 1.027 78 L CA -1.360 53.231 54.840 -0.415 0.000 0.834 78 L CB 1.611 43.593 42.059 -0.128 0.000 1.426 78 L HN 0.539 nan 8.230 nan 0.000 0.411 79 F N 0.500 120.306 119.950 -0.240 0.000 2.607 79 F HA -0.030 4.497 4.527 0.000 0.000 0.374 79 F C 1.368 177.093 175.800 -0.124 0.000 1.104 79 F CA 0.374 58.305 58.000 -0.115 0.000 1.296 79 F CB 0.925 39.910 39.000 -0.025 0.000 1.085 79 F HN 0.447 nan 8.300 nan 0.000 0.584 80 S N 3.238 118.507 115.700 -0.719 0.000 2.547 80 S HA -0.113 4.358 4.470 0.001 0.000 0.235 80 S C 1.289 175.591 174.600 -0.496 0.000 0.980 80 S CA 1.073 58.869 58.200 -0.674 0.000 0.941 80 S CB -0.389 62.163 63.200 -1.080 0.000 0.763 80 S HN 0.744 nan 8.310 nan 0.000 0.532 81 E N 0.236 120.113 120.200 -0.539 0.000 2.474 81 E HA 0.212 4.562 4.350 0.001 0.000 0.195 81 E C -0.185 176.481 176.600 0.110 0.000 1.039 81 E CA 0.027 56.393 56.400 -0.057 0.000 0.881 81 E CB 0.208 29.998 29.700 0.150 0.000 0.970 81 E HN 0.459 nan 8.360 nan 0.000 0.486 82 M N 1.749 121.410 119.600 0.102 0.000 2.129 82 M HA 0.301 4.782 4.480 0.001 0.000 0.348 82 M C -0.575 175.745 176.300 0.033 0.000 1.116 82 M CA -0.313 55.052 55.300 0.108 0.000 1.022 82 M CB 1.260 33.942 32.600 0.137 0.000 1.599 82 M HN -0.066 nan 8.290 nan 0.000 0.449 83 L N 2.159 123.403 121.223 0.034 0.000 2.399 83 L HA 0.662 5.002 4.340 0.001 0.000 0.265 83 L C 0.267 177.151 176.870 0.024 0.000 1.089 83 L CA -0.385 54.465 54.840 0.017 0.000 0.802 83 L CB 1.667 43.736 42.059 0.017 0.000 1.180 83 L HN 0.786 nan 8.230 nan 0.000 0.454 84 S N -0.025 115.687 115.700 0.019 0.000 2.638 84 S HA 0.473 4.943 4.470 0.001 0.000 0.274 84 S C 0.286 174.902 174.600 0.027 0.000 1.157 84 S CA -1.036 57.184 58.200 0.033 0.000 0.826 84 S CB 1.964 65.190 63.200 0.044 0.000 1.139 84 S HN 0.563 nan 8.310 nan 0.000 0.474 85 R N 0.306 120.832 120.500 0.043 0.000 2.096 85 R HA 0.042 4.382 4.340 0.001 0.000 0.235 85 R C -1.080 175.226 176.300 0.011 0.000 1.127 85 R CA 1.458 57.579 56.100 0.034 0.000 0.968 85 R CB -1.529 28.803 30.300 0.054 0.000 0.861 85 R HN 0.513 nan 8.270 nan 0.000 0.440 86 P HA -0.102 nan 4.420 nan 0.000 0.218 86 P C 1.288 178.550 177.300 -0.063 0.000 1.149 86 P CA 0.973 64.022 63.100 -0.085 0.000 0.817 86 P CB 0.131 31.700 31.700 -0.219 0.000 0.785 87 V N -0.639 119.251 119.914 -0.039 0.000 2.283 87 V HA -0.164 3.957 4.120 0.001 0.000 0.243 87 V C 2.395 178.478 176.094 -0.019 0.000 1.039 87 V CA 1.652 63.935 62.300 -0.029 0.000 1.016 87 V CB -1.084 30.726 31.823 -0.022 0.000 0.650 87 V HN -0.054 nan 8.190 nan 0.000 0.449 88 V N 0.192 120.100 119.914 -0.010 0.000 2.427 88 V HA -0.221 3.899 4.120 0.001 0.000 0.248 88 V C 2.244 178.335 176.094 -0.007 0.000 1.051 88 V CA 1.999 64.296 62.300 -0.006 0.000 1.048 88 V CB -0.672 31.152 31.823 0.001 0.000 0.666 88 V HN 0.552 nan 8.190 nan 0.000 0.456 89 D N -0.089 120.307 120.400 -0.008 0.000 2.097 89 D HA -0.138 4.502 4.640 0.001 0.000 0.195 89 D C 1.942 178.236 176.300 -0.011 0.000 0.989 89 D CA 1.129 55.125 54.000 -0.007 0.000 0.827 89 D CB -0.282 40.514 40.800 -0.007 0.000 0.966 89 D HN 0.345 nan 8.370 nan 0.000 0.456 90 L N 0.908 122.118 121.223 -0.021 0.000 2.056 90 L HA -0.019 4.322 4.340 0.001 0.000 0.207 90 L C 2.101 178.966 176.870 -0.008 0.000 1.078 90 L CA 1.716 56.545 54.840 -0.018 0.000 0.749 90 L CB -0.880 41.160 42.059 -0.031 0.000 0.901 90 L HN -0.027 nan 8.230 nan 0.000 0.433 91 A N -1.353 121.460 122.820 -0.012 0.000 1.892 91 A HA -0.247 4.073 4.320 0.001 0.000 0.218 91 A C 2.275 179.854 177.584 -0.009 0.000 1.188 91 A CA 2.553 54.583 52.037 -0.012 0.000 0.631 91 A CB -1.319 17.673 19.000 -0.014 0.000 0.822 91 A HN 0.525 nan 8.150 nan 0.000 0.447 92 T N -0.829 113.721 114.554 -0.006 0.000 2.746 92 T HA -0.136 4.215 4.350 0.001 0.000 0.267 92 T C 2.101 176.805 174.700 0.005 0.000 1.039 92 T CA 1.699 63.798 62.100 -0.002 0.000 1.142 92 T CB -0.229 68.639 68.868 -0.000 0.000 0.866 92 T HN 0.513 nan 8.240 nan 0.000 0.444 93 R N 1.162 121.667 120.500 0.009 0.000 2.081 93 R HA 0.063 4.403 4.340 0.001 0.000 0.235 93 R C 2.205 178.527 176.300 0.037 0.000 1.131 93 R CA 1.361 57.473 56.100 0.020 0.000 0.960 93 R CB -0.973 29.337 30.300 0.017 0.000 0.856 93 R HN 0.391 nan 8.270 nan 0.000 0.436 94 L N -0.285 120.956 121.223 0.031 0.000 2.083 94 L HA -0.078 4.263 4.340 0.001 0.000 0.209 94 L C 2.476 179.351 176.870 0.008 0.000 1.083 94 L CA 1.286 56.149 54.840 0.038 0.000 0.752 94 L CB -0.615 41.450 42.059 0.009 0.000 0.899 94 L HN 0.341 nan 8.230 nan 0.000 0.433 95 A N 0.237 123.054 122.820 -0.005 0.000 1.902 95 A HA -0.189 4.132 4.320 0.001 0.000 0.217 95 A C 2.012 179.598 177.584 0.003 0.000 1.181 95 A CA 1.747 53.775 52.037 -0.016 0.000 0.623 95 A CB -0.476 18.514 19.000 -0.017 0.000 0.818 95 A HN 0.431 nan 8.150 nan 0.000 0.443 96 N N 0.195 118.906 118.700 0.018 0.000 2.331 96 N HA -0.071 4.669 4.740 0.001 0.000 0.180 96 N C 1.557 177.098 175.510 0.052 0.000 1.019 96 N CA 1.633 54.699 53.050 0.028 0.000 0.881 96 N CB -0.330 38.171 38.487 0.024 0.000 0.972 96 N HN 0.815 nan 8.380 nan 0.000 0.435 97 I N -1.761 118.862 120.570 0.089 0.000 3.968 97 I HA 0.166 4.336 4.170 0.001 0.000 0.328 97 I C 0.250 176.528 176.117 0.269 0.000 1.290 97 I CA -0.109 61.285 61.300 0.156 0.000 1.163 97 I CB -0.082 38.016 38.000 0.164 0.000 1.024 97 I HN -0.184 nan 8.210 nan 0.000 0.413 98 T N -0.393 114.244 114.554 0.139 0.000 2.902 98 T HA 0.537 4.887 4.350 0.001 0.000 0.280 98 T C -2.469 172.239 174.700 0.014 0.000 0.992 98 T CA -1.733 60.367 62.100 -0.000 0.000 1.015 98 T CB 0.825 69.544 68.868 -0.249 0.000 1.044 98 T HN -0.096 nan 8.240 nan 0.000 0.520 99 P HA 0.241 nan 4.420 nan 0.000 0.269 99 P C -2.485 174.805 177.300 -0.017 0.000 1.217 99 P CA -1.014 62.090 63.100 0.005 0.000 0.783 99 P CB -0.737 30.963 31.700 0.001 0.000 0.898 100 P HA 0.089 nan 4.420 nan 0.000 0.266 100 P C 0.858 178.144 177.300 -0.024 0.000 1.195 100 P CA 1.262 64.354 63.100 -0.013 0.000 0.768 100 P CB 0.119 31.815 31.700 -0.006 0.000 0.838 101 G N 1.622 110.405 108.800 -0.028 0.000 2.176 101 G HA2 -0.189 3.772 3.960 0.001 0.000 0.232 101 G HA3 -0.189 3.772 3.960 0.001 0.000 0.232 101 G C -0.268 174.602 174.900 -0.049 0.000 0.986 101 G CA -0.479 44.599 45.100 -0.035 0.000 0.643 101 G HN 0.465 nan 8.290 nan 0.000 0.522 102 L N 1.317 122.506 121.223 -0.057 0.000 2.345 102 L HA 0.495 4.835 4.340 0.001 0.000 0.274 102 L C -0.086 176.746 176.870 -0.064 0.000 0.999 102 L CA -0.773 54.020 54.840 -0.077 0.000 0.849 102 L CB 1.380 43.371 42.059 -0.113 0.000 1.220 102 L HN 0.036 nan 8.230 nan 0.000 0.422 103 D N 1.412 121.778 120.400 -0.058 0.000 2.482 103 D HA 0.136 4.776 4.640 0.001 0.000 0.251 103 D C 0.372 176.646 176.300 -0.044 0.000 1.073 103 D CA 0.219 54.192 54.000 -0.045 0.000 0.892 103 D CB 1.109 41.886 40.800 -0.038 0.000 1.202 103 D HN 0.374 nan 8.370 nan 0.000 0.496 104 R N 0.989 121.456 120.500 -0.054 0.000 2.599 104 R HA 0.780 5.120 4.340 0.001 0.000 0.295 104 R C -0.700 175.566 176.300 -0.057 0.000 0.963 104 R CA -0.684 55.387 56.100 -0.049 0.000 0.883 104 R CB 2.532 32.803 30.300 -0.049 0.000 1.171 104 R HN -0.100 nan 8.270 nan 0.000 0.450 105 A N 2.456 125.250 122.820 -0.043 0.000 2.354 105 A HA 0.732 5.052 4.320 0.001 0.000 0.321 105 A C -1.305 176.265 177.584 -0.024 0.000 1.125 105 A CA -0.730 51.282 52.037 -0.042 0.000 0.799 105 A CB 1.532 20.510 19.000 -0.036 0.000 1.293 105 A HN 0.550 nan 8.150 nan 0.000 0.452 106 L N 1.494 122.702 121.223 -0.023 0.000 2.376 106 L HA 0.633 4.973 4.340 0.001 0.000 0.275 106 L C -1.481 175.386 176.870 -0.005 0.000 0.987 106 L CA -0.202 54.639 54.840 0.002 0.000 0.828 106 L CB 1.377 43.443 42.059 0.012 0.000 1.249 106 L HN 0.585 nan 8.230 nan 0.000 0.409 107 L N 6.551 127.778 121.223 0.006 0.000 2.265 107 L HA 0.521 4.861 4.340 0.001 0.000 0.289 107 L C -0.272 176.615 176.870 0.029 0.000 1.033 107 L CA -0.262 54.582 54.840 0.007 0.000 0.814 107 L CB 1.070 43.129 42.059 -0.001 0.000 1.203 107 L HN 0.653 nan 8.230 nan 0.000 0.423 108 L N 0.945 122.189 121.223 0.034 0.000 2.670 108 L HA 0.550 4.891 4.340 0.001 0.000 0.251 108 L C 0.855 177.762 176.870 0.061 0.000 1.548 108 L CA -0.336 54.545 54.840 0.070 0.000 1.643 108 L CB 1.430 43.533 42.059 0.072 0.000 2.174 108 L HN 0.496 nan 8.230 nan 0.000 0.585 109 S N -1.942 113.802 115.700 0.074 0.000 2.741 109 S HA 0.109 4.580 4.470 0.001 0.000 0.245 109 S C 0.224 174.846 174.600 0.037 0.000 1.083 109 S CA 0.258 58.486 58.200 0.045 0.000 0.873 109 S CB 0.817 64.045 63.200 0.047 0.000 0.814 109 S HN 0.797 nan 8.310 nan 0.000 0.476 110 T N -1.336 113.251 114.554 0.055 0.000 2.916 110 T HA 0.653 5.004 4.350 0.001 0.000 0.292 110 T C 1.229 175.964 174.700 0.057 0.000 1.064 110 T CA -0.075 62.057 62.100 0.053 0.000 1.011 110 T CB 1.476 70.378 68.868 0.057 0.000 1.152 110 T HN 0.031 nan 8.240 nan 0.000 0.510 111 G N 0.392 109.232 108.800 0.067 0.000 2.418 111 G HA2 0.035 3.995 3.960 0.001 0.000 0.217 111 G HA3 0.035 3.995 3.960 0.001 0.000 0.217 111 G C 1.697 176.639 174.900 0.071 0.000 1.158 111 G CA 0.877 46.023 45.100 0.076 0.000 0.771 111 G HN 1.162 nan 8.290 nan 0.000 0.545 112 A N 0.641 123.504 122.820 0.072 0.000 1.902 112 A HA -0.067 4.253 4.320 0.001 0.000 0.217 112 A C 2.156 179.770 177.584 0.049 0.000 1.181 112 A CA 2.056 54.122 52.037 0.048 0.000 0.623 112 A CB -0.510 18.509 19.000 0.031 0.000 0.818 112 A HN 0.476 nan 8.150 nan 0.000 0.443 113 E N 0.335 120.579 120.200 0.073 0.000 2.085 113 E HA -0.196 4.154 4.350 0.001 0.000 0.194 113 E C 2.232 178.835 176.600 0.005 0.000 0.994 113 E CA 1.652 58.123 56.400 0.118 0.000 0.801 113 E CB -0.111 29.682 29.700 0.156 0.000 0.743 113 E HN 0.767 nan 8.360 nan 0.000 0.453 114 S N 0.572 116.259 115.700 -0.022 0.000 2.383 114 S HA -0.112 4.358 4.470 0.001 0.000 0.227 114 S C 1.702 176.235 174.600 -0.111 0.000 1.026 114 S CA 1.023 59.166 58.200 -0.095 0.000 0.981 114 S CB -0.330 62.845 63.200 -0.041 0.000 0.818 114 S HN 0.232 nan 8.310 nan 0.000 0.472 115 N N 1.729 120.398 118.700 -0.051 0.000 2.244 115 N HA -0.024 4.717 4.740 0.001 0.000 0.183 115 N C 1.734 177.199 175.510 -0.074 0.000 1.016 115 N CA 1.188 54.199 53.050 -0.066 0.000 0.866 115 N CB -0.375 38.087 38.487 -0.042 0.000 0.980 115 N HN 0.555 nan 8.380 nan 0.000 0.430 116 E N 1.170 121.346 120.200 -0.039 0.000 2.051 116 E HA -0.081 4.269 4.350 0.001 0.000 0.192 116 E C 1.917 178.490 176.600 -0.045 0.000 0.991 116 E CA 0.867 57.286 56.400 0.032 0.000 0.799 116 E CB -0.201 29.613 29.700 0.189 0.000 0.748 116 E HN 0.312 nan 8.360 nan 0.000 0.449 117 A N 1.600 124.158 122.820 -0.436 0.000 1.902 117 A HA -0.101 4.220 4.320 0.001 0.000 0.217 117 A C 2.426 179.890 177.584 -0.200 0.000 1.181 117 A CA 2.043 53.621 52.037 -0.764 0.000 0.623 117 A CB -0.548 17.723 19.000 -1.214 0.000 0.818 117 A HN 0.275 nan 8.150 nan 0.000 0.443 118 A N -0.069 122.647 122.820 -0.173 0.000 1.873 118 A HA -0.068 4.252 4.320 0.001 0.000 0.215 118 A C 2.127 179.677 177.584 -0.056 0.000 1.186 118 A CA 1.511 53.479 52.037 -0.114 0.000 0.616 118 A CB -0.622 18.312 19.000 -0.110 0.000 0.823 118 A HN 0.480 nan 8.150 nan 0.000 0.442 119 I N -0.866 119.680 120.570 -0.040 0.000 2.226 119 I HA -0.267 3.904 4.170 0.001 0.000 0.245 119 I C 2.724 178.874 176.117 0.055 0.000 1.100 119 I CA 1.727 63.023 61.300 -0.007 0.000 1.374 119 I CB -0.288 37.701 38.000 -0.018 0.000 1.057 119 I HN 0.392 nan 8.210 nan 0.000 0.413 120 R N 0.997 121.567 120.500 0.117 0.000 2.081 120 R HA -0.216 4.124 4.340 0.001 0.000 0.235 120 R C 2.392 178.839 176.300 0.245 0.000 1.131 120 R CA 1.672 57.898 56.100 0.210 0.000 0.960 120 R CB -0.239 30.259 30.300 0.330 0.000 0.856 120 R HN 0.296 nan 8.270 nan 0.000 0.436 121 M N 0.043 119.765 119.600 0.202 0.000 2.159 121 M HA -0.114 4.367 4.480 0.001 0.000 0.263 121 M C 2.094 178.384 176.300 -0.017 0.000 1.063 121 M CA 1.962 57.253 55.300 -0.015 0.000 1.110 121 M CB -0.065 32.334 32.600 -0.334 0.000 1.374 121 M HN 0.309 nan 8.290 nan 0.000 0.411 122 A N 0.627 123.443 122.820 -0.006 0.000 1.898 122 A HA -0.177 4.143 4.320 0.001 0.000 0.216 122 A C 2.038 179.640 177.584 0.030 0.000 1.181 122 A CA 1.859 53.895 52.037 -0.002 0.000 0.620 122 A CB -0.556 18.441 19.000 -0.005 0.000 0.819 122 A HN 0.566 nan 8.150 nan 0.000 0.442 123 K N -0.869 119.567 120.400 0.060 0.000 2.057 123 K HA -0.111 4.209 4.320 0.001 0.000 0.207 123 K C 1.919 178.570 176.600 0.085 0.000 1.049 123 K CA 1.393 57.730 56.287 0.083 0.000 0.931 123 K CB -0.363 32.203 32.500 0.110 0.000 0.714 123 K HN 0.392 nan 8.250 nan 0.000 0.440 124 L N 1.061 122.342 121.223 0.097 0.000 2.056 124 L HA -0.134 4.206 4.340 0.001 0.000 0.207 124 L C 2.112 179.019 176.870 0.061 0.000 1.078 124 L CA 1.348 56.247 54.840 0.099 0.000 0.749 124 L CB -0.265 41.892 42.059 0.164 0.000 0.901 124 L HN 0.078 nan 8.230 nan 0.000 0.433 125 V N -3.793 116.142 119.914 0.034 0.000 2.871 125 V HA -0.059 4.062 4.120 0.001 0.000 0.256 125 V C 2.098 178.201 176.094 0.015 0.000 1.082 125 V CA 1.532 63.840 62.300 0.013 0.000 1.105 125 V CB -1.586 30.228 31.823 -0.015 0.000 0.713 125 V HN 0.654 nan 8.190 nan 0.000 0.473 126 T N -3.280 111.287 114.554 0.021 0.000 3.057 126 T HA 0.357 4.707 4.350 0.001 0.000 0.254 126 T C 1.781 176.499 174.700 0.029 0.000 1.094 126 T CA 0.846 62.957 62.100 0.018 0.000 1.088 126 T CB 0.123 68.999 68.868 0.014 0.000 0.934 126 T HN 1.563 nan 8.240 nan 0.000 0.497 127 G N 1.431 110.258 108.800 0.046 0.000 2.153 127 G HA2 -0.252 3.709 3.960 0.001 0.000 0.252 127 G HA3 -0.252 3.709 3.960 0.001 0.000 0.252 127 G C -0.054 174.896 174.900 0.084 0.000 0.994 127 G CA 0.663 45.800 45.100 0.061 0.000 0.698 127 G HN 0.706 nan 8.290 nan 0.000 0.521 128 K N -2.043 118.403 120.400 0.078 0.000 2.261 128 K HA 0.727 5.047 4.320 0.001 0.000 0.242 128 K C 0.470 177.148 176.600 0.131 0.000 1.083 128 K CA -0.532 55.794 56.287 0.066 0.000 0.880 128 K CB 1.027 33.503 32.500 -0.040 0.000 1.353 128 K HN 0.384 nan 8.250 nan 0.000 0.486 129 Y N -1.955 118.367 120.300 0.036 0.000 2.648 129 Y HA 0.389 4.940 4.550 0.001 0.000 0.270 129 Y C -0.507 175.409 175.900 0.027 0.000 1.043 129 Y CA -0.678 57.438 58.100 0.026 0.000 1.238 129 Y CB 0.225 38.695 38.460 0.017 0.000 1.385 129 Y HN 0.340 nan 8.280 nan 0.000 0.569 130 E N 2.927 122.931 120.200 -0.326 0.000 2.338 130 E HA 0.338 4.688 4.350 0.001 0.000 0.272 130 E C -0.639 175.963 176.600 0.003 0.000 1.029 130 E CA -0.232 56.110 56.400 -0.095 0.000 0.872 130 E CB 1.349 31.018 29.700 -0.052 0.000 1.015 130 E HN 0.172 nan 8.360 nan 0.000 0.417 131 I N 3.231 123.814 120.570 0.021 0.000 2.465 131 I HA 0.278 4.448 4.170 0.001 0.000 0.291 131 I C -0.397 175.689 176.117 -0.051 0.000 1.014 131 I CA -0.817 60.468 61.300 -0.025 0.000 1.093 131 I CB 1.544 39.516 38.000 -0.046 0.000 1.267 131 I HN 0.245 nan 8.210 nan 0.000 0.431 132 V N 4.985 124.788 119.914 -0.186 0.000 2.459 132 V HA 0.886 5.007 4.120 0.001 0.000 0.295 132 V C 0.504 176.045 176.094 -0.920 0.000 1.029 132 V CA -0.358 61.704 62.300 -0.396 0.000 0.874 132 V CB 1.630 33.226 31.823 -0.377 0.000 0.985 132 V HN 0.971 nan 8.190 nan 0.000 0.438 133 G N 2.038 110.437 108.800 -0.669 0.000 3.105 133 G HA2 0.732 4.693 3.960 0.001 0.000 0.277 133 G HA3 0.732 4.693 3.960 0.001 0.000 0.277 133 G C -1.534 173.108 174.900 -0.430 0.000 1.375 133 G CA -0.657 44.065 45.100 -0.630 0.000 0.962 133 G HN 0.296 nan 8.290 nan 0.000 0.541 134 F N 0.235 120.220 119.950 0.058 0.000 2.375 134 F HA 0.518 5.045 4.527 0.000 0.000 0.333 134 F C 1.576 177.403 175.800 0.046 0.000 1.104 134 F CA -0.233 57.831 58.000 0.106 0.000 1.149 134 F CB 1.906 41.015 39.000 0.182 0.000 1.190 134 F HN 0.491 nan 8.300 nan 0.000 0.533 135 A N 1.570 124.517 122.820 0.212 0.000 2.172 135 A HA -0.106 4.215 4.320 0.001 0.000 0.216 135 A C 1.261 178.971 177.584 0.210 0.000 1.154 135 A CA 1.146 53.241 52.037 0.096 0.000 0.701 135 A CB -0.549 18.487 19.000 0.060 0.000 0.789 135 A HN 0.790 nan 8.150 nan 0.000 0.465 136 Q N -0.118 119.803 119.800 0.202 0.000 2.157 136 Q HA 0.178 4.518 4.340 0.001 0.000 0.229 136 Q C 0.444 176.536 176.000 0.154 0.000 0.827 136 Q CA 0.341 56.222 55.803 0.131 0.000 1.055 136 Q CB 0.774 29.508 28.738 -0.007 0.000 1.157 136 Q HN 0.606 nan 8.270 nan 0.000 0.482 137 S N -0.443 115.404 115.700 0.245 0.000 2.624 137 S HA 0.423 4.893 4.470 0.001 0.000 0.263 137 S C -0.599 174.052 174.600 0.085 0.000 1.287 137 S CA -0.602 57.688 58.200 0.150 0.000 0.990 137 S CB 1.038 64.356 63.200 0.197 0.000 0.950 137 S HN 0.457 nan 8.310 nan 0.000 0.561 138 W N 1.651 122.732 121.300 -0.364 0.000 3.089 138 W HA 0.326 4.986 4.660 0.000 0.000 0.333 138 W C -1.265 174.973 176.519 -0.469 0.000 1.053 138 W CA -0.384 56.783 57.345 -0.297 0.000 1.257 138 W CB 0.884 30.257 29.460 -0.145 0.000 1.281 138 W HN 0.969 nan 8.180 nan 0.000 0.427 139 H N 3.029 121.926 119.070 -0.289 0.000 2.986 139 H HA 0.367 4.923 4.556 0.001 0.000 0.267 139 H C 1.076 176.258 175.328 -0.244 0.000 1.072 139 H CA 0.911 56.869 56.048 -0.150 0.000 1.202 139 H CB 1.793 31.492 29.762 -0.105 0.000 1.535 139 H HN 0.545 nan 8.280 nan 0.000 0.522 140 G N 0.308 108.773 108.800 -0.558 0.000 2.351 140 G HA2 -0.076 3.884 3.960 0.001 0.000 0.353 140 G HA3 -0.076 3.884 3.960 0.001 0.000 0.353 140 G C 0.165 174.807 174.900 -0.430 0.000 1.358 140 G CA -0.452 44.454 45.100 -0.323 0.000 0.995 140 G HN -0.057 nan 8.290 nan 0.000 0.611 141 M N 0.689 120.172 119.600 -0.195 0.000 2.509 141 M HA 0.163 4.644 4.480 0.001 0.000 0.250 141 M C 1.640 177.877 176.300 -0.104 0.000 1.132 141 M CA 1.213 56.420 55.300 -0.154 0.000 1.080 141 M CB -0.639 31.944 32.600 -0.028 0.000 1.408 141 M HN 0.863 nan 8.290 nan 0.000 0.484 142 T N -1.863 112.645 114.554 -0.076 0.000 2.913 142 T HA 0.538 4.888 4.350 0.001 0.000 0.287 142 T C 1.527 176.189 174.700 -0.063 0.000 1.008 142 T CA -0.102 61.971 62.100 -0.045 0.000 1.067 142 T CB 1.679 70.546 68.868 -0.003 0.000 0.996 142 T HN 0.343 nan 8.240 nan 0.000 0.513 143 G N 1.693 110.465 108.800 -0.047 0.000 2.864 143 G HA2 -0.336 3.625 3.960 0.001 0.000 0.250 143 G HA3 -0.336 3.625 3.960 0.001 0.000 0.250 143 G C 1.702 176.561 174.900 -0.068 0.000 1.154 143 G CA 1.798 46.866 45.100 -0.054 0.000 0.755 143 G HN 1.349 nan 8.290 nan 0.000 0.697 144 A N 0.274 123.069 122.820 -0.043 0.000 1.929 144 A HA 0.387 4.708 4.320 0.001 0.000 0.216 144 A C 2.841 180.378 177.584 -0.079 0.000 1.176 144 A CA 2.346 54.353 52.037 -0.050 0.000 0.628 144 A CB -0.709 18.283 19.000 -0.013 0.000 0.816 144 A HN 1.301 nan 8.150 nan 0.000 0.444 145 A N -0.106 122.671 122.820 -0.073 0.000 1.930 145 A HA 0.199 4.520 4.320 0.001 0.000 0.217 145 A C 2.437 179.926 177.584 -0.158 0.000 1.175 145 A CA 1.885 53.872 52.037 -0.084 0.000 0.627 145 A CB -0.823 18.142 19.000 -0.058 0.000 0.815 145 A HN 0.966 nan 8.150 nan 0.000 0.443 146 A N -0.786 121.916 122.820 -0.198 0.000 1.929 146 A HA 0.010 4.331 4.320 0.001 0.000 0.216 146 A C 2.349 179.754 177.584 -0.297 0.000 1.176 146 A CA 1.732 53.600 52.037 -0.282 0.000 0.628 146 A CB -0.699 18.161 19.000 -0.232 0.000 0.816 146 A HN 0.414 nan 8.150 nan 0.000 0.444 147 S N -0.338 115.225 115.700 -0.228 0.000 2.442 147 S HA 0.041 4.511 4.470 0.001 0.000 0.236 147 S C 1.728 176.129 174.600 -0.332 0.000 1.007 147 S CA 0.995 59.048 58.200 -0.245 0.000 0.965 147 S CB -0.173 62.939 63.200 -0.147 0.000 0.773 147 S HN 0.757 nan 8.310 nan 0.000 0.504 148 A N 0.634 123.305 122.820 -0.248 0.000 2.423 148 A HA 0.326 4.646 4.320 0.001 0.000 0.246 148 A C 0.558 178.065 177.584 -0.128 0.000 1.278 148 A CA -0.140 51.820 52.037 -0.129 0.000 0.903 148 A CB 0.170 19.147 19.000 -0.039 0.000 0.997 148 A HN 0.246 nan 8.150 nan 0.000 0.510 149 T N -0.083 114.214 114.554 -0.429 0.000 2.753 149 T HA 0.417 4.767 4.350 0.001 0.000 0.297 149 T C -0.082 174.306 174.700 -0.521 0.000 0.981 149 T CA 0.094 61.969 62.100 -0.374 0.000 0.956 149 T CB 0.234 68.794 68.868 -0.513 0.000 0.936 149 T HN 0.357 nan 8.240 nan 0.000 0.463 150 Y N 0.822 121.128 120.300 0.010 0.000 2.442 150 Y HA 0.095 4.646 4.550 0.001 0.000 0.250 150 Y C 2.573 178.517 175.900 0.073 0.000 1.113 150 Y CA -0.292 57.832 58.100 0.040 0.000 1.273 150 Y CB 0.349 38.845 38.460 0.061 0.000 1.138 150 Y HN 0.661 nan 8.280 nan 0.000 0.522 151 S N -0.156 115.673 115.700 0.215 0.000 2.453 151 S HA 0.417 4.887 4.470 0.001 0.000 0.231 151 S C 0.848 175.564 174.600 0.193 0.000 1.005 151 S CA 0.421 58.741 58.200 0.200 0.000 0.949 151 S CB -0.019 63.309 63.200 0.214 0.000 0.774 151 S HN 0.227 nan 8.310 nan 0.000 0.510 152 A N -1.417 121.519 122.820 0.194 0.000 2.540 152 A HA 0.642 4.962 4.320 0.001 0.000 0.291 152 A C 0.697 178.321 177.584 0.068 0.000 1.083 152 A CA -0.196 51.948 52.037 0.178 0.000 0.650 152 A CB -0.214 18.981 19.000 0.325 0.000 1.292 152 A HN 1.433 nan 8.150 nan 0.000 0.435 153 G N -0.577 108.259 108.800 0.060 0.000 2.162 153 G HA2 -0.267 3.693 3.960 0.001 0.000 0.260 153 G HA3 -0.267 3.693 3.960 0.001 0.000 0.260 153 G C 0.744 175.610 174.900 -0.056 0.000 0.976 153 G CA 0.978 46.072 45.100 -0.010 0.000 0.655 153 G HN 0.908 nan 8.290 nan 0.000 0.533 154 R N -0.118 120.355 120.500 -0.046 0.000 2.275 154 R HA 0.128 4.469 4.340 0.001 0.000 0.199 154 R C 0.920 177.204 176.300 -0.027 0.000 0.989 154 R CA 0.584 56.648 56.100 -0.060 0.000 1.016 154 R CB 0.141 30.410 30.300 -0.052 0.000 0.918 154 R HN 0.349 nan 8.270 nan 0.000 0.473 155 K N -0.415 119.980 120.400 -0.007 0.000 2.156 155 K HA 0.352 4.672 4.320 0.001 0.000 0.250 155 K C 0.590 177.189 176.600 -0.002 0.000 0.955 155 K CA 0.024 56.311 56.287 0.000 0.000 0.855 155 K CB 1.713 34.220 32.500 0.012 0.000 1.101 155 K HN 0.077 nan 8.250 nan 0.000 0.434 156 G N 0.052 108.851 108.800 -0.001 0.000 2.184 156 G HA2 -0.284 3.676 3.960 0.001 0.000 0.264 156 G HA3 -0.284 3.676 3.960 0.001 0.000 0.264 156 G C 0.406 175.303 174.900 -0.005 0.000 0.975 156 G CA 0.598 45.697 45.100 -0.001 0.000 0.642 156 G HN 0.581 nan 8.290 nan 0.000 0.536 157 V N -2.523 117.383 119.914 -0.013 0.000 3.006 157 V HA 0.712 4.832 4.120 0.001 0.000 0.357 157 V C 1.145 177.225 176.094 -0.024 0.000 1.377 157 V CA 0.394 62.683 62.300 -0.018 0.000 1.198 157 V CB -0.197 31.611 31.823 -0.024 0.000 1.216 157 V HN 2.254 nan 8.190 nan 0.000 0.520 158 G N 1.372 110.160 108.800 -0.021 0.000 2.828 158 G HA2 -0.114 3.846 3.960 0.001 0.000 0.463 158 G HA3 -0.114 3.846 3.960 0.001 0.000 0.463 158 G C -2.150 172.731 174.900 -0.031 0.000 1.394 158 G CA -0.396 44.690 45.100 -0.023 0.000 0.862 158 G HN 0.621 nan 8.290 nan 0.000 0.540 159 P HA 0.492 nan 4.420 nan 0.000 0.267 159 P C 0.541 177.808 177.300 -0.054 0.000 1.200 159 P CA 0.614 63.690 63.100 -0.040 0.000 0.772 159 P CB 0.529 32.206 31.700 -0.038 0.000 0.855 160 A N 2.366 125.147 122.820 -0.065 0.000 2.280 160 A HA 0.591 4.912 4.320 0.001 0.000 0.268 160 A C 0.310 177.845 177.584 -0.081 0.000 1.111 160 A CA -0.114 51.871 52.037 -0.087 0.000 0.814 160 A CB -0.320 18.619 19.000 -0.102 0.000 1.093 160 A HN 0.632 nan 8.150 nan 0.000 0.498 161 A N -0.258 122.510 122.820 -0.085 0.000 2.531 161 A HA 0.438 4.758 4.320 0.001 0.000 0.236 161 A C 0.412 177.952 177.584 -0.073 0.000 1.062 161 A CA -0.203 51.792 52.037 -0.070 0.000 0.760 161 A CB -0.515 18.451 19.000 -0.057 0.000 0.995 161 A HN 1.157 nan 8.150 nan 0.000 0.501 162 V N 2.068 121.943 119.914 -0.065 0.000 2.694 162 V HA 0.343 4.463 4.120 0.001 0.000 0.306 162 V C 1.611 177.732 176.094 0.045 0.000 1.054 162 V CA 1.681 63.951 62.300 -0.050 0.000 1.161 162 V CB 0.099 31.847 31.823 -0.125 0.000 0.916 162 V HN 2.073 nan 8.190 nan 0.000 0.490 163 G N 3.689 112.483 108.800 -0.009 0.000 2.160 163 G HA2 -0.223 3.737 3.960 0.001 0.000 0.244 163 G HA3 -0.223 3.737 3.960 0.001 0.000 0.244 163 G C 0.168 174.844 174.900 -0.373 0.000 1.022 163 G CA 0.107 45.160 45.100 -0.077 0.000 0.741 163 G HN 0.786 nan 8.290 nan 0.000 0.508 164 S N -0.096 115.319 115.700 -0.474 0.000 2.452 164 S HA 0.784 5.255 4.470 0.001 0.000 0.284 164 S C -0.400 173.849 174.600 -0.585 0.000 1.171 164 S CA -0.160 57.843 58.200 -0.328 0.000 1.064 164 S CB 0.707 63.829 63.200 -0.130 0.000 0.967 164 S HN 0.339 nan 8.310 nan 0.000 0.484 165 F N 0.994 120.965 119.950 0.036 0.000 2.603 165 F HA 0.782 5.309 4.527 0.001 0.000 0.317 165 F C 0.223 175.857 175.800 -0.278 0.000 1.066 165 F CA -0.973 56.974 58.000 -0.089 0.000 0.941 165 F CB 1.651 40.572 39.000 -0.132 0.000 1.291 165 F HN 0.583 nan 8.300 nan 0.000 0.472 166 A N 1.861 124.540 122.820 -0.235 0.000 2.469 166 A HA 0.942 5.263 4.320 0.001 0.000 0.299 166 A C -1.180 176.276 177.584 -0.213 0.000 1.098 166 A CA -0.707 51.019 52.037 -0.518 0.000 0.737 166 A CB 1.603 19.872 19.000 -1.217 0.000 1.312 166 A HN 0.803 nan 8.150 nan 0.000 0.414 167 I N -1.682 118.840 120.570 -0.080 0.000 2.892 167 I HA 0.749 4.920 4.170 0.001 0.000 0.306 167 I C -2.964 173.292 176.117 0.231 0.000 1.078 167 I CA -3.038 58.309 61.300 0.080 0.000 1.032 167 I CB 2.283 40.367 38.000 0.139 0.000 1.229 167 I HN 0.250 nan 8.210 nan 0.000 0.435 168 P HA 0.216 nan 4.420 nan 0.000 0.271 168 P C -0.691 176.771 177.300 0.270 0.000 1.218 168 P CA -0.121 63.110 63.100 0.219 0.000 0.780 168 P CB 0.781 32.593 31.700 0.187 0.000 0.901 169 A N 4.661 127.523 122.820 0.070 0.000 2.340 169 A HA 0.500 4.820 4.320 0.001 0.000 0.268 169 A C -2.110 175.369 177.584 -0.175 0.000 1.100 169 A CA -1.505 50.309 52.037 -0.371 0.000 0.803 169 A CB -0.664 17.918 19.000 -0.697 0.000 1.043 169 A HN 0.425 nan 8.150 nan 0.000 0.488 170 P HA 0.203 nan 4.420 nan 0.000 0.276 170 P C -1.333 175.982 177.300 0.026 0.000 1.264 170 P CA 0.271 63.294 63.100 -0.127 0.000 0.769 170 P CB 0.271 31.587 31.700 -0.639 0.000 0.840 171 F N 4.585 124.572 119.950 0.060 0.000 2.646 171 F HA 0.183 4.710 4.527 0.001 0.000 0.364 171 F C 1.323 177.110 175.800 -0.021 0.000 1.137 171 F CA -1.121 56.867 58.000 -0.021 0.000 1.085 171 F CB 0.743 39.710 39.000 -0.054 0.000 1.331 171 F HN 0.225 nan 8.300 nan 0.000 0.472 172 T N 1.503 116.225 114.554 0.281 0.000 2.881 172 T HA -0.230 4.120 4.350 0.001 0.000 0.270 172 T C 1.639 176.286 174.700 -0.089 0.000 1.068 172 T CA 1.405 63.585 62.100 0.134 0.000 1.131 172 T CB -0.653 68.362 68.868 0.245 0.000 0.871 172 T HN 0.561 nan 8.240 nan 0.000 0.479 173 Y N 2.343 122.458 120.300 -0.309 0.000 2.457 173 Y HA 0.297 4.848 4.550 0.001 0.000 0.292 173 Y C 1.340 176.852 175.900 -0.645 0.000 1.125 173 Y CA 0.137 57.992 58.100 -0.408 0.000 1.254 173 Y CB 0.160 38.468 38.460 -0.253 0.000 1.012 173 Y HN 0.091 nan 8.280 nan 0.000 0.555 174 R N 1.365 121.189 120.500 -1.127 0.000 2.738 174 R HA 0.243 4.584 4.340 0.001 0.000 0.280 174 R C -2.717 173.184 176.300 -0.665 0.000 1.456 174 R CA -1.773 53.790 56.100 -0.895 0.000 1.612 174 R CB 0.500 30.271 30.300 -0.882 0.000 1.286 174 R HN 0.099 nan 8.270 nan 0.000 0.660 175 P HA 0.061 nan 4.420 nan 0.000 0.271 175 P C -0.339 176.707 177.300 -0.423 0.000 1.216 175 P CA -0.065 62.485 63.100 -0.917 0.000 0.771 175 P CB 1.089 32.063 31.700 -1.209 0.000 0.864 176 R N 1.518 121.906 120.500 -0.187 0.000 2.572 176 R HA 0.281 4.621 4.340 0.001 0.000 0.370 176 R C -0.510 175.890 176.300 0.167 0.000 1.005 176 R CA -0.187 55.913 56.100 0.000 0.000 1.146 176 R CB 0.387 30.703 30.300 0.026 0.000 1.390 176 R HN 0.381 nan 8.270 nan 0.000 0.553 177 F N 1.990 122.040 119.950 0.166 0.000 2.610 177 F HA 0.290 4.817 4.527 0.001 0.000 0.355 177 F C -0.417 175.493 175.800 0.185 0.000 1.140 177 F CA -0.783 57.303 58.000 0.143 0.000 1.037 177 F CB 1.124 40.217 39.000 0.155 0.000 1.287 177 F HN -0.151 nan 8.300 nan 0.000 0.457 178 E N 4.917 125.040 120.200 -0.127 0.000 2.204 178 E HA 0.561 4.911 4.350 0.001 0.000 0.276 178 E C -1.164 175.348 176.600 -0.146 0.000 0.974 178 E CA -0.882 55.486 56.400 -0.053 0.000 0.815 178 E CB 1.238 30.895 29.700 -0.070 0.000 1.119 178 E HN 0.581 nan 8.360 nan 0.000 0.393 179 R N 2.472 122.953 120.500 -0.031 0.000 2.533 179 R HA 0.255 4.595 4.340 0.001 0.000 0.288 179 R C -1.024 175.265 176.300 -0.019 0.000 1.039 179 R CA -0.303 55.777 56.100 -0.034 0.000 0.909 179 R CB 0.623 30.937 30.300 0.024 0.000 1.195 179 R HN 0.851 nan 8.270 nan 0.000 0.438 180 N N 2.673 121.357 118.700 -0.027 0.000 2.705 180 N HA -0.266 4.475 4.740 0.001 0.000 0.255 180 N C 0.367 175.869 175.510 -0.013 0.000 1.008 180 N CA 0.679 53.718 53.050 -0.019 0.000 0.742 180 N CB -0.496 37.983 38.487 -0.013 0.000 0.906 180 N HN 1.044 nan 8.380 nan 0.000 0.541 181 G N -1.960 106.829 108.800 -0.017 0.000 2.184 181 G HA2 -0.201 3.760 3.960 0.001 0.000 0.264 181 G HA3 -0.201 3.760 3.960 0.001 0.000 0.264 181 G C 0.145 175.050 174.900 0.009 0.000 0.975 181 G CA 0.694 45.788 45.100 -0.009 0.000 0.642 181 G HN 1.027 nan 8.290 nan 0.000 0.536 182 A N -1.308 121.526 122.820 0.024 0.000 2.485 182 A HA 0.693 5.014 4.320 0.001 0.000 0.292 182 A C -0.615 177.049 177.584 0.134 0.000 1.147 182 A CA -0.549 51.525 52.037 0.063 0.000 0.750 182 A CB 0.981 20.007 19.000 0.043 0.000 1.331 182 A HN 1.291 nan 8.150 nan 0.000 0.419 183 Y N 1.644 121.958 120.300 0.022 0.000 2.584 183 Y HA 0.306 4.856 4.550 0.001 0.000 0.351 183 Y C -0.230 175.695 175.900 0.042 0.000 1.030 183 Y CA -0.631 57.511 58.100 0.070 0.000 1.332 183 Y CB 0.285 38.811 38.460 0.109 0.000 1.148 183 Y HN 0.557 nan 8.280 nan 0.000 0.528 184 D N 6.111 126.465 120.400 -0.077 0.000 2.518 184 D HA -0.002 4.639 4.640 0.001 0.000 0.230 184 D C 0.521 176.597 176.300 -0.373 0.000 1.138 184 D CA -0.352 53.497 54.000 -0.251 0.000 0.964 184 D CB -0.200 40.594 40.800 -0.008 0.000 1.011 184 D HN 0.654 nan 8.370 nan 0.000 0.517 185 Y N 1.161 121.089 120.300 -0.619 0.000 2.421 185 Y HA -0.039 4.512 4.550 0.001 0.000 0.292 185 Y C 1.422 177.253 175.900 -0.116 0.000 1.136 185 Y CA 0.117 57.913 58.100 -0.506 0.000 1.255 185 Y CB -0.411 37.739 38.460 -0.517 0.000 0.991 185 Y HN 0.178 nan 8.280 nan 0.000 0.552 186 L N 1.061 122.228 121.223 -0.093 0.000 2.109 186 L HA 0.053 4.393 4.340 0.001 0.000 0.207 186 L C 2.619 179.455 176.870 -0.057 0.000 1.086 186 L CA 1.373 56.208 54.840 -0.008 0.000 0.760 186 L CB -1.556 40.442 42.059 -0.102 0.000 0.910 186 L HN 0.409 nan 8.230 nan 0.000 0.437 187 A N -1.120 121.654 122.820 -0.077 0.000 1.968 187 A HA -0.208 4.113 4.320 0.001 0.000 0.217 187 A C 2.308 179.721 177.584 -0.284 0.000 1.169 187 A CA 1.416 53.441 52.037 -0.018 0.000 0.638 187 A CB -0.454 18.654 19.000 0.179 0.000 0.812 187 A HN 0.487 nan 8.150 nan 0.000 0.446 188 E N -0.415 119.438 120.200 -0.578 0.000 2.110 188 E HA -0.202 4.149 4.350 0.001 0.000 0.193 188 E C 1.873 178.289 176.600 -0.307 0.000 0.988 188 E CA 1.327 57.082 56.400 -1.075 0.000 0.804 188 E CB -0.185 29.155 29.700 -0.600 0.000 0.745 188 E HN 0.468 nan 8.360 nan 0.000 0.458 189 L N 1.487 122.693 121.223 -0.029 0.000 2.046 189 L HA -0.171 4.170 4.340 0.001 0.000 0.208 189 L C 1.576 178.529 176.870 0.138 0.000 1.077 189 L CA 2.022 56.942 54.840 0.133 0.000 0.747 189 L CB -0.440 41.654 42.059 0.058 0.000 0.896 189 L HN 0.070 nan 8.230 nan 0.000 0.432 190 D N -1.392 119.036 120.400 0.047 0.000 2.117 190 D HA -0.258 4.382 4.640 0.001 0.000 0.197 190 D C 2.031 178.413 176.300 0.137 0.000 0.987 190 D CA 1.773 55.818 54.000 0.075 0.000 0.829 190 D CB -0.380 40.444 40.800 0.040 0.000 0.961 190 D HN 0.529 nan 8.370 nan 0.000 0.460 191 Y N 1.542 121.815 120.300 -0.044 0.000 2.181 191 Y HA -0.204 4.346 4.550 0.001 0.000 0.288 191 Y C 2.292 178.200 175.900 0.013 0.000 1.146 191 Y CA 1.923 60.022 58.100 -0.002 0.000 1.164 191 Y CB -0.127 38.304 38.460 -0.049 0.000 0.982 191 Y HN -0.050 nan 8.280 nan 0.000 0.515 192 A N -0.294 122.653 122.820 0.212 0.000 1.873 192 A HA -0.173 4.147 4.320 0.001 0.000 0.215 192 A C 2.043 179.622 177.584 -0.009 0.000 1.186 192 A CA 1.611 53.715 52.037 0.112 0.000 0.616 192 A CB -1.413 17.666 19.000 0.131 0.000 0.823 192 A HN 0.548 nan 8.150 nan 0.000 0.442 193 F N 0.610 120.558 119.950 -0.002 0.000 2.293 193 F HA -0.131 4.396 4.527 0.001 0.000 0.300 193 F C 1.916 177.669 175.800 -0.080 0.000 1.086 193 F CA 1.589 59.568 58.000 -0.036 0.000 1.375 193 F CB -0.026 38.949 39.000 -0.041 0.000 1.045 193 F HN 0.230 nan 8.300 nan 0.000 0.516 194 D N -0.226 120.214 120.400 0.065 0.000 2.178 194 D HA -0.137 4.504 4.640 0.001 0.000 0.202 194 D C 2.242 178.474 176.300 -0.112 0.000 0.974 194 D CA 0.780 54.761 54.000 -0.031 0.000 0.841 194 D CB -0.349 40.409 40.800 -0.070 0.000 0.953 194 D HN 0.208 nan 8.370 nan 0.000 0.478 195 L N 0.825 121.948 121.223 -0.168 0.000 2.072 195 L HA -0.087 4.253 4.340 0.001 0.000 0.205 195 L C 1.990 178.725 176.870 -0.226 0.000 1.079 195 L CA 1.099 55.822 54.840 -0.194 0.000 0.752 195 L CB -0.429 41.517 42.059 -0.188 0.000 0.906 195 L HN -0.092 nan 8.230 nan 0.000 0.436 196 I N 0.086 120.498 120.570 -0.264 0.000 2.127 196 I HA -0.306 3.864 4.170 0.001 0.000 0.241 196 I C 2.192 178.116 176.117 -0.322 0.000 1.075 196 I CA 1.462 62.520 61.300 -0.404 0.000 1.334 196 I CB -1.436 36.291 38.000 -0.456 0.000 1.040 196 I HN 0.312 nan 8.210 nan 0.000 0.405 197 D N 0.585 120.894 120.400 -0.151 0.000 2.158 197 D HA -0.188 4.453 4.640 0.001 0.000 0.197 197 D C 2.273 178.498 176.300 -0.125 0.000 0.995 197 D CA 1.054 54.996 54.000 -0.096 0.000 0.846 197 D CB -0.202 40.582 40.800 -0.026 0.000 0.941 197 D HN 0.256 nan 8.370 nan 0.000 0.456 198 R N 0.449 120.868 120.500 -0.135 0.000 2.115 198 R HA 0.019 4.359 4.340 0.001 0.000 0.226 198 R C 2.255 178.476 176.300 -0.132 0.000 1.100 198 R CA 0.612 56.645 56.100 -0.111 0.000 0.980 198 R CB -0.502 29.739 30.300 -0.098 0.000 0.875 198 R HN 0.449 nan 8.270 nan 0.000 0.445 199 Q N 0.338 120.003 119.800 -0.225 0.000 2.187 199 Q HA 0.025 4.365 4.340 0.001 0.000 0.199 199 Q C 0.806 176.670 176.000 -0.226 0.000 0.957 199 Q CA 0.271 55.928 55.803 -0.244 0.000 0.857 199 Q CB 0.063 28.537 28.738 -0.440 0.000 0.929 199 Q HN 0.072 nan 8.270 nan 0.000 0.453 200 S N 0.481 115.995 115.700 -0.310 0.000 2.563 200 S HA -0.018 4.453 4.470 0.001 0.000 0.284 200 S C 1.024 175.604 174.600 -0.034 0.000 1.331 200 S CA 0.062 58.163 58.200 -0.166 0.000 1.047 200 S CB 0.756 63.853 63.200 -0.172 0.000 0.859 200 S HN 0.376 nan 8.310 nan 0.000 0.514 201 S N 2.736 118.449 115.700 0.023 0.000 2.605 201 S HA 0.343 4.814 4.470 0.001 0.000 0.217 201 S C 1.233 175.833 174.600 -0.000 0.000 0.958 201 S CA 0.287 58.511 58.200 0.040 0.000 0.919 201 S CB -0.326 62.941 63.200 0.111 0.000 0.780 201 S HN 1.993 nan 8.310 nan 0.000 0.507 202 G N 1.721 110.499 108.800 -0.037 0.000 2.142 202 G HA2 -0.196 3.764 3.960 0.001 0.000 0.225 202 G HA3 -0.196 3.764 3.960 0.001 0.000 0.225 202 G C -0.033 174.825 174.900 -0.070 0.000 1.015 202 G CA -0.018 45.058 45.100 -0.039 0.000 0.716 202 G HN 0.529 nan 8.290 nan 0.000 0.508 203 N N 0.164 118.774 118.700 -0.150 0.000 2.553 203 N HA 0.214 4.955 4.740 0.001 0.000 0.298 203 N C 0.323 175.669 175.510 -0.274 0.000 1.596 203 N CA -0.201 52.687 53.050 -0.270 0.000 0.910 203 N CB 0.529 38.662 38.487 -0.590 0.000 1.336 203 N HN 0.381 nan 8.380 nan 0.000 0.497 204 L N 1.018 122.168 121.223 -0.122 0.000 2.369 204 L HA 0.235 4.576 4.340 0.001 0.000 0.279 204 L C 1.452 178.303 176.870 -0.032 0.000 1.108 204 L CA -0.146 54.662 54.840 -0.054 0.000 0.852 204 L CB 0.971 43.038 42.059 0.013 0.000 1.169 204 L HN 0.157 nan 8.230 nan 0.000 0.452 205 A N 3.473 126.277 122.820 -0.027 0.000 1.973 205 A HA 0.671 4.992 4.320 0.001 0.000 0.210 205 A C 0.795 178.394 177.584 0.024 0.000 1.200 205 A CA 0.879 52.916 52.037 -0.000 0.000 0.707 205 A CB 0.258 19.263 19.000 0.008 0.000 0.862 205 A HN 0.733 nan 8.150 nan 0.000 0.461 206 A N -1.994 120.849 122.820 0.038 0.000 2.586 206 A HA 0.585 4.905 4.320 0.001 0.000 0.291 206 A C -1.807 175.831 177.584 0.091 0.000 1.062 206 A CA -0.410 51.665 52.037 0.063 0.000 0.666 206 A CB 0.319 19.331 19.000 0.020 0.000 1.281 206 A HN 0.723 nan 8.150 nan 0.000 0.421 207 F N 0.797 120.743 119.950 -0.006 0.000 2.507 207 F HA 0.768 5.295 4.527 0.000 0.000 0.325 207 F C -0.583 175.172 175.800 -0.074 0.000 1.116 207 F CA -0.917 57.066 58.000 -0.028 0.000 0.930 207 F CB 1.402 40.417 39.000 0.024 0.000 1.146 207 F HN 0.624 nan 8.300 nan 0.000 0.447 208 I N 5.203 125.660 120.570 -0.189 0.000 2.474 208 I HA 0.839 5.009 4.170 0.001 0.000 0.294 208 I C -1.499 174.627 176.117 0.014 0.000 1.005 208 I CA -0.446 60.791 61.300 -0.104 0.000 1.113 208 I CB 1.375 39.163 38.000 -0.354 0.000 1.289 208 I HN 0.769 nan 8.210 nan 0.000 0.436 209 A N 5.906 128.853 122.820 0.212 0.000 2.520 209 A HA 0.565 4.885 4.320 0.001 0.000 0.298 209 A C -1.335 176.504 177.584 0.426 0.000 1.051 209 A CA -0.639 51.645 52.037 0.411 0.000 0.690 209 A CB 1.417 20.701 19.000 0.473 0.000 1.281 209 A HN 0.740 nan 8.150 nan 0.000 0.402 210 E N 2.036 122.534 120.200 0.497 0.000 2.249 210 E HA 0.324 4.675 4.350 0.001 0.000 0.280 210 E C -1.814 174.949 176.600 0.272 0.000 1.016 210 E CA -1.703 54.892 56.400 0.326 0.000 0.830 210 E CB 1.460 31.308 29.700 0.247 0.000 1.081 210 E HN 0.367 nan 8.360 nan 0.000 0.395 211 P HA -0.030 nan 4.420 nan 0.000 0.221 211 P C -0.256 177.089 177.300 0.075 0.000 1.150 211 P CA 1.088 64.275 63.100 0.145 0.000 0.800 211 P CB 0.429 32.202 31.700 0.122 0.000 0.787 212 I N -0.727 119.876 120.570 0.055 0.000 2.500 212 I HA 0.151 4.321 4.170 0.001 0.000 0.286 212 I C -0.851 175.261 176.117 -0.008 0.000 1.063 212 I CA -1.178 60.116 61.300 -0.010 0.000 1.062 212 I CB 2.092 40.084 38.000 -0.014 0.000 1.223 212 I HN -0.336 nan 8.210 nan 0.000 0.435 213 L N 5.331 126.517 121.223 -0.061 0.000 2.456 213 L HA 0.134 4.474 4.340 0.001 0.000 0.277 213 L C 1.307 178.131 176.870 -0.076 0.000 1.124 213 L CA 0.796 55.605 54.840 -0.052 0.000 0.880 213 L CB 0.961 42.946 42.059 -0.123 0.000 1.192 213 L HN 0.630 nan 8.230 nan 0.000 0.463 214 S N 1.285 116.959 115.700 -0.044 0.000 2.315 214 S HA -0.096 4.375 4.470 0.001 0.000 0.211 214 S C 1.969 176.502 174.600 -0.110 0.000 1.029 214 S CA 1.282 59.437 58.200 -0.074 0.000 0.956 214 S CB 0.112 63.275 63.200 -0.061 0.000 0.918 214 S HN 0.722 nan 8.310 nan 0.000 0.470 215 S N 0.756 116.378 115.700 -0.129 0.000 2.419 215 S HA -0.042 4.429 4.470 0.001 0.000 0.235 215 S C 1.831 176.367 174.600 -0.107 0.000 1.019 215 S CA 1.106 59.197 58.200 -0.183 0.000 0.982 215 S CB -0.796 62.240 63.200 -0.274 0.000 0.789 215 S HN 0.698 nan 8.310 nan 0.000 0.490 216 G N 0.098 108.853 108.800 -0.076 0.000 2.625 216 G HA2 0.307 4.268 3.960 0.001 0.000 0.214 216 G HA3 0.307 4.268 3.960 0.001 0.000 0.214 216 G C 0.822 175.616 174.900 -0.177 0.000 1.132 216 G CA 0.537 45.579 45.100 -0.098 0.000 0.782 216 G HN 0.848 nan 8.290 nan 0.000 0.538 217 G N 0.155 108.853 108.800 -0.170 0.000 2.157 217 G HA2 -0.081 3.879 3.960 0.001 0.000 0.118 217 G HA3 -0.081 3.879 3.960 0.001 0.000 0.118 217 G C 0.350 175.140 174.900 -0.184 0.000 1.032 217 G CA -0.380 44.615 45.100 -0.175 0.000 0.697 217 G HN 0.791 nan 8.290 nan 0.000 0.495 218 I N -0.403 120.072 120.570 -0.158 0.000 7.154 218 I HA -0.207 3.963 4.170 0.001 0.000 0.126 218 I C 0.497 176.510 176.117 -0.174 0.000 1.808 218 I CA 0.622 61.846 61.300 -0.128 0.000 2.123 218 I CB -2.031 35.922 38.000 -0.079 0.000 3.552 218 I HN 0.431 nan 8.210 nan 0.000 0.195 219 I N 2.455 122.873 120.570 -0.253 0.000 2.307 219 I HA 0.251 4.422 4.170 0.001 0.000 0.289 219 I C 0.955 176.946 176.117 -0.210 0.000 1.021 219 I CA -0.240 60.866 61.300 -0.324 0.000 1.224 219 I CB 1.401 39.073 38.000 -0.548 0.000 1.376 219 I HN 0.323 nan 8.210 nan 0.000 0.470 220 E N 7.306 127.424 120.200 -0.136 0.000 2.227 220 E HA 0.349 4.700 4.350 0.001 0.000 0.282 220 E C -0.795 175.712 176.600 -0.156 0.000 1.015 220 E CA -0.738 55.599 56.400 -0.105 0.000 0.823 220 E CB 1.079 30.747 29.700 -0.053 0.000 1.081 220 E HN 0.529 nan 8.360 nan 0.000 0.396 221 L N 7.195 128.320 121.223 -0.164 0.000 2.462 221 L HA 0.200 4.541 4.340 0.001 0.000 0.272 221 L C -1.614 175.149 176.870 -0.179 0.000 1.166 221 L CA -1.494 53.196 54.840 -0.250 0.000 0.880 221 L CB -0.003 41.999 42.059 -0.095 0.000 1.142 221 L HN 0.504 nan 8.230 nan 0.000 0.473 222 P HA 0.077 nan 4.420 nan 0.000 0.275 222 P C -0.850 176.401 177.300 -0.081 0.000 1.266 222 P CA -0.661 62.285 63.100 -0.256 0.000 0.793 222 P CB 0.565 31.922 31.700 -0.572 0.000 1.074 223 D N -0.428 119.999 120.400 0.045 0.000 2.531 223 D HA 0.163 4.803 4.640 0.001 0.000 0.239 223 D C 1.633 178.061 176.300 0.213 0.000 1.144 223 D CA 1.908 55.987 54.000 0.132 0.000 0.869 223 D CB -0.341 40.546 40.800 0.146 0.000 1.160 223 D HN 0.732 nan 8.370 nan 0.000 0.484 224 G N 2.241 111.132 108.800 0.152 0.000 2.212 224 G HA2 -0.437 3.524 3.960 0.001 0.000 0.266 224 G HA3 -0.437 3.524 3.960 0.001 0.000 0.266 224 G C 0.929 175.918 174.900 0.148 0.000 0.978 224 G CA 0.742 45.925 45.100 0.138 0.000 0.632 224 G HN 0.586 nan 8.290 nan 0.000 0.537 225 Y N 0.379 120.720 120.300 0.069 0.000 2.133 225 Y HA 0.126 4.677 4.550 0.001 0.000 0.287 225 Y C 2.951 178.862 175.900 0.017 0.000 1.134 225 Y CA 2.620 60.747 58.100 0.044 0.000 1.133 225 Y CB -0.253 38.163 38.460 -0.073 0.000 0.987 225 Y HN 0.303 nan 8.280 nan 0.000 0.502 226 M N -0.424 119.299 119.600 0.205 0.000 2.149 226 M HA -0.220 4.261 4.480 0.001 0.000 0.261 226 M C 2.201 178.482 176.300 -0.032 0.000 1.064 226 M CA 1.936 57.305 55.300 0.115 0.000 1.102 226 M CB -0.236 32.446 32.600 0.136 0.000 1.369 226 M HN 0.451 nan 8.290 nan 0.000 0.408 227 A N -0.118 122.684 122.820 -0.029 0.000 1.930 227 A HA -0.012 4.309 4.320 0.001 0.000 0.217 227 A C 2.226 179.731 177.584 -0.132 0.000 1.175 227 A CA 1.665 53.665 52.037 -0.062 0.000 0.627 227 A CB -0.942 18.040 19.000 -0.030 0.000 0.815 227 A HN 0.616 nan 8.150 nan 0.000 0.443 228 A N -0.575 122.136 122.820 -0.181 0.000 1.969 228 A HA 0.045 4.365 4.320 0.001 0.000 0.218 228 A C 2.085 179.451 177.584 -0.363 0.000 1.169 228 A CA 1.578 53.462 52.037 -0.254 0.000 0.635 228 A CB -0.517 18.322 19.000 -0.268 0.000 0.810 228 A HN 0.634 nan 8.150 nan 0.000 0.445 229 L N -0.079 120.884 121.223 -0.434 0.000 2.017 229 L HA -0.099 4.242 4.340 0.001 0.000 0.208 229 L C 2.232 178.889 176.870 -0.356 0.000 1.073 229 L CA 2.711 57.271 54.840 -0.466 0.000 0.745 229 L CB -0.632 41.177 42.059 -0.416 0.000 0.894 229 L HN 0.315 nan 8.230 nan 0.000 0.432 230 K N -0.106 120.155 120.400 -0.233 0.000 2.063 230 K HA -0.166 4.154 4.320 0.001 0.000 0.208 230 K C 2.227 178.715 176.600 -0.187 0.000 1.048 230 K CA 1.682 57.870 56.287 -0.166 0.000 0.928 230 K CB -0.205 32.233 32.500 -0.104 0.000 0.713 230 K HN 0.325 nan 8.250 nan 0.000 0.442 231 R N 0.063 120.439 120.500 -0.206 0.000 2.115 231 R HA -0.040 4.301 4.340 0.001 0.000 0.230 231 R C 1.994 178.128 176.300 -0.277 0.000 1.111 231 R CA 1.122 57.102 56.100 -0.200 0.000 0.976 231 R CB -0.135 30.061 30.300 -0.174 0.000 0.870 231 R HN 0.069 nan 8.270 nan 0.000 0.445 232 K N 0.533 120.679 120.400 -0.424 0.000 2.063 232 K HA -0.122 4.198 4.320 0.001 0.000 0.208 232 K C 2.158 178.463 176.600 -0.490 0.000 1.048 232 K CA 1.216 57.104 56.287 -0.665 0.000 0.928 232 K CB -0.736 30.948 32.500 -1.359 0.000 0.713 232 K HN 0.230 nan 8.250 nan 0.000 0.442 233 C N 1.324 120.427 119.300 -0.329 0.000 2.432 233 C HA -0.071 4.389 4.460 0.001 0.000 0.277 233 C C 2.602 177.531 174.990 -0.102 0.000 1.249 233 C CA 0.634 59.572 59.018 -0.132 0.000 1.725 233 C CB -0.739 26.964 27.740 -0.062 0.000 2.028 233 C HN 0.550 nan 8.230 nan 0.000 0.477 234 E N 1.149 121.279 120.200 -0.117 0.000 2.085 234 E HA -0.184 4.167 4.350 0.001 0.000 0.194 234 E C 2.307 178.855 176.600 -0.087 0.000 0.994 234 E CA 1.409 57.757 56.400 -0.088 0.000 0.801 234 E CB -0.300 29.348 29.700 -0.088 0.000 0.743 234 E HN 0.676 nan 8.360 nan 0.000 0.453 235 A N 1.049 123.798 122.820 -0.118 0.000 2.070 235 A HA -0.133 4.188 4.320 0.001 0.000 0.220 235 A C 1.867 179.406 177.584 -0.075 0.000 1.159 235 A CA 1.115 53.091 52.037 -0.101 0.000 0.656 235 A CB -0.175 18.747 19.000 -0.131 0.000 0.800 235 A HN 0.056 nan 8.150 nan 0.000 0.453 236 R N -1.699 118.759 120.500 -0.069 0.000 2.432 236 R HA 0.286 4.626 4.340 0.001 0.000 0.260 236 R C 1.031 177.321 176.300 -0.016 0.000 0.935 236 R CA 0.470 56.553 56.100 -0.030 0.000 1.080 236 R CB 0.216 30.519 30.300 0.005 0.000 1.155 236 R HN 0.569 nan 8.270 nan 0.000 0.531 237 G N 1.671 110.456 108.800 -0.025 0.000 2.198 237 G HA2 -0.314 3.647 3.960 0.001 0.000 0.260 237 G HA3 -0.314 3.647 3.960 0.001 0.000 0.260 237 G C 0.061 174.958 174.900 -0.005 0.000 1.025 237 G CA 0.325 45.415 45.100 -0.017 0.000 0.769 237 G HN 0.184 nan 8.290 nan 0.000 0.507 238 M N -0.264 119.338 119.600 0.004 0.000 2.409 238 M HA 0.595 5.076 4.480 0.001 0.000 0.329 238 M C 0.797 177.108 176.300 0.019 0.000 1.180 238 M CA -0.633 54.684 55.300 0.028 0.000 1.053 238 M CB 1.416 34.063 32.600 0.079 0.000 1.586 238 M HN -0.011 nan 8.290 nan 0.000 0.461 239 L N 2.327 123.565 121.223 0.024 0.000 2.357 239 L HA 0.472 4.813 4.340 0.001 0.000 0.273 239 L C -0.665 176.230 176.870 0.042 0.000 1.080 239 L CA -0.937 53.910 54.840 0.013 0.000 0.803 239 L CB 1.153 43.209 42.059 -0.005 0.000 1.174 239 L HN 0.517 nan 8.230 nan 0.000 0.443 240 L N 3.894 125.132 121.223 0.026 0.000 2.272 240 L HA 0.498 4.838 4.340 0.001 0.000 0.289 240 L C -0.530 176.361 176.870 0.035 0.000 1.032 240 L CA 0.217 55.090 54.840 0.055 0.000 0.810 240 L CB 0.879 42.949 42.059 0.019 0.000 1.205 240 L HN 0.329 nan 8.230 nan 0.000 0.422 241 I N 6.289 126.890 120.570 0.052 0.000 2.354 241 I HA 0.336 4.506 4.170 0.001 0.000 0.292 241 I C -0.708 175.434 176.117 0.042 0.000 0.989 241 I CA -0.493 60.812 61.300 0.009 0.000 1.188 241 I CB 1.430 39.408 38.000 -0.036 0.000 1.342 241 I HN 0.465 nan 8.210 nan 0.000 0.457 242 L N 5.592 126.835 121.223 0.034 0.000 2.287 242 L HA 0.359 4.699 4.340 0.001 0.000 0.287 242 L C -0.401 176.511 176.870 0.070 0.000 1.022 242 L CA -0.559 54.328 54.840 0.078 0.000 0.814 242 L CB 1.480 43.584 42.059 0.076 0.000 1.217 242 L HN 0.525 nan 8.230 nan 0.000 0.420 243 D N 3.903 124.380 120.400 0.127 0.000 2.411 243 D HA 0.073 4.714 4.640 0.001 0.000 0.225 243 D C 0.126 176.523 176.300 0.161 0.000 1.156 243 D CA -0.044 54.045 54.000 0.148 0.000 0.874 243 D CB 0.849 41.812 40.800 0.273 0.000 1.034 243 D HN 0.483 nan 8.370 nan 0.000 0.502 244 E N 2.623 122.900 120.200 0.127 0.000 2.411 244 E HA 0.158 4.508 4.350 0.001 0.000 0.204 244 E C 1.209 177.889 176.600 0.133 0.000 1.059 244 E CA -0.365 56.121 56.400 0.144 0.000 1.112 244 E CB 0.750 30.559 29.700 0.182 0.000 1.168 244 E HN 0.552 nan 8.360 nan 0.000 0.445 245 A N 0.902 123.798 122.820 0.126 0.000 1.892 245 A HA -0.271 4.049 4.320 0.001 0.000 0.218 245 A C 2.069 179.704 177.584 0.085 0.000 1.188 245 A CA 1.500 53.602 52.037 0.108 0.000 0.631 245 A CB -0.076 19.001 19.000 0.128 0.000 0.822 245 A HN 0.249 nan 8.150 nan 0.000 0.447 246 Q N -1.822 118.026 119.800 0.080 0.000 2.349 246 Q HA -0.032 4.308 4.340 0.001 0.000 0.209 246 Q C 2.081 178.103 176.000 0.035 0.000 0.920 246 Q CA 1.284 57.114 55.803 0.045 0.000 0.901 246 Q CB 0.133 28.888 28.738 0.027 0.000 1.021 246 Q HN 0.861 nan 8.270 nan 0.000 0.519 247 T N -2.505 112.085 114.554 0.061 0.000 3.081 247 T HA 0.145 4.495 4.350 0.001 0.000 0.255 247 T C 0.985 175.722 174.700 0.060 0.000 1.113 247 T CA 0.228 62.359 62.100 0.052 0.000 1.082 247 T CB 0.105 69.016 68.868 0.072 0.000 0.939 247 T HN 0.124 nan 8.240 nan 0.000 0.506 248 G N 0.874 109.738 108.800 0.107 0.000 2.599 248 G HA2 0.428 4.388 3.960 0.001 0.000 0.264 248 G HA3 0.428 4.388 3.960 0.001 0.000 0.264 248 G C 0.185 175.061 174.900 -0.040 0.000 1.200 248 G CA -0.124 45.061 45.100 0.142 0.000 0.896 248 G HN 0.833 nan 8.290 nan 0.000 0.536 249 V N -0.213 119.547 119.914 -0.256 0.000 5.767 249 V HA -0.199 3.921 4.120 0.001 0.000 0.311 249 V C 1.872 177.828 176.094 -0.230 0.000 0.532 249 V CA 1.576 63.703 62.300 -0.289 0.000 0.659 249 V CB -2.056 29.702 31.823 -0.108 0.000 0.353 249 V HN 2.785 nan 8.190 nan 0.000 1.082 250 G N -0.173 108.466 108.800 -0.270 0.000 2.225 250 G HA2 -0.429 3.531 3.960 0.001 0.000 0.254 250 G HA3 -0.429 3.531 3.960 0.001 0.000 0.254 250 G C 0.809 175.641 174.900 -0.114 0.000 0.988 250 G CA 1.183 46.176 45.100 -0.179 0.000 0.625 250 G HN 0.916 nan 8.290 nan 0.000 0.527 251 R N 0.825 121.269 120.500 -0.094 0.000 2.117 251 R HA -0.104 4.236 4.340 0.001 0.000 0.243 251 R C 2.618 178.879 176.300 -0.064 0.000 1.143 251 R CA 2.613 58.669 56.100 -0.074 0.000 0.968 251 R CB -0.474 29.791 30.300 -0.059 0.000 0.863 251 R HN 0.678 nan 8.270 nan 0.000 0.444 252 T N -3.811 110.712 114.554 -0.052 0.000 3.188 252 T HA 0.283 4.634 4.350 0.001 0.000 0.250 252 T C 1.051 175.728 174.700 -0.039 0.000 1.077 252 T CA 0.288 62.365 62.100 -0.038 0.000 0.967 252 T CB 0.818 69.676 68.868 -0.017 0.000 1.006 252 T HN 0.453 nan 8.240 nan 0.000 0.552 253 G N 0.913 109.681 108.800 -0.052 0.000 2.176 253 G HA2 -0.155 3.805 3.960 0.001 0.000 0.232 253 G HA3 -0.155 3.805 3.960 0.001 0.000 0.232 253 G C 0.170 175.043 174.900 -0.046 0.000 0.986 253 G CA 0.110 45.182 45.100 -0.046 0.000 0.643 253 G HN 1.259 nan 8.290 nan 0.000 0.522 254 T N -3.529 110.991 114.554 -0.058 0.000 2.883 254 T HA 0.635 4.985 4.350 0.001 0.000 0.296 254 T C 1.024 175.641 174.700 -0.139 0.000 1.117 254 T CA 0.120 62.183 62.100 -0.061 0.000 1.006 254 T CB 1.726 70.586 68.868 -0.014 0.000 1.191 254 T HN 0.364 nan 8.240 nan 0.000 0.508 255 M N 0.250 119.731 119.600 -0.200 0.000 2.080 255 M HA 0.271 4.751 4.480 0.001 0.000 0.260 255 M C -0.726 175.076 176.300 -0.830 0.000 1.068 255 M CA 1.458 56.468 55.300 -0.484 0.000 1.109 255 M CB -0.778 31.550 32.600 -0.454 0.000 1.342 255 M HN 0.636 nan 8.290 nan 0.000 0.405 256 F N -1.688 118.263 119.950 0.002 0.000 2.540 256 F HA 0.562 5.089 4.527 0.001 0.000 0.317 256 F C 0.992 176.799 175.800 0.012 0.000 1.104 256 F CA -0.769 57.235 58.000 0.007 0.000 0.913 256 F CB 0.777 39.782 39.000 0.008 0.000 1.170 256 F HN 0.007 nan 8.300 nan 0.000 0.450 257 A N 0.941 123.866 122.820 0.175 0.000 1.978 257 A HA -0.230 4.090 4.320 0.001 0.000 0.220 257 A C 2.128 179.782 177.584 0.117 0.000 1.170 257 A CA 2.076 54.179 52.037 0.110 0.000 0.636 257 A CB -1.393 17.663 19.000 0.094 0.000 0.810 257 A HN 1.023 nan 8.150 nan 0.000 0.448 258 C N -1.233 118.154 119.300 0.146 0.000 2.422 258 C HA -0.047 4.413 4.460 0.001 0.000 0.286 258 C C 2.297 177.342 174.990 0.093 0.000 1.412 258 C CA 0.831 59.913 59.018 0.106 0.000 1.786 258 C CB -1.795 25.994 27.740 0.082 0.000 1.835 258 C HN 0.656 nan 8.230 nan 0.000 0.533 259 Q N 0.657 120.527 119.800 0.116 0.000 2.297 259 Q HA -0.092 4.248 4.340 0.001 0.000 0.204 259 Q C 2.484 178.520 176.000 0.060 0.000 0.962 259 Q CA 0.965 56.822 55.803 0.089 0.000 0.879 259 Q CB -0.257 28.545 28.738 0.106 0.000 0.947 259 Q HN 0.787 nan 8.270 nan 0.000 0.462 260 R N 1.227 121.761 120.500 0.058 0.000 2.073 260 R HA -0.160 4.180 4.340 0.001 0.000 0.234 260 R C 0.690 177.015 176.300 0.043 0.000 1.134 260 R CA 2.027 58.153 56.100 0.043 0.000 0.952 260 R CB 0.131 30.454 30.300 0.039 0.000 0.850 260 R HN 0.216 nan 8.270 nan 0.000 0.433 261 D N -1.277 119.153 120.400 0.050 0.000 2.347 261 D HA 0.122 4.762 4.640 0.001 0.000 0.213 261 D C 0.907 177.230 176.300 0.037 0.000 0.985 261 D CA 0.978 55.006 54.000 0.047 0.000 0.879 261 D CB 0.383 41.218 40.800 0.057 0.000 0.919 261 D HN 0.512 nan 8.370 nan 0.000 0.526 262 G N 0.232 109.054 108.800 0.038 0.000 2.160 262 G HA2 -0.266 3.694 3.960 0.001 0.000 0.251 262 G HA3 -0.266 3.694 3.960 0.001 0.000 0.251 262 G C 0.081 174.994 174.900 0.021 0.000 1.008 262 G CA 0.152 45.269 45.100 0.029 0.000 0.724 262 G HN 0.314 nan 8.290 nan 0.000 0.514 263 V N 1.038 120.967 119.914 0.025 0.000 2.370 263 V HA 0.560 4.680 4.120 0.001 0.000 0.283 263 V C 0.596 176.695 176.094 0.010 0.000 1.023 263 V CA -0.158 62.149 62.300 0.012 0.000 0.857 263 V CB 1.725 33.556 31.823 0.013 0.000 0.985 263 V HN 0.279 nan 8.190 nan 0.000 0.443 264 T N 8.341 122.891 114.554 -0.006 0.000 2.744 264 T HA 0.384 4.735 4.350 0.001 0.000 0.291 264 T C -2.150 172.535 174.700 -0.025 0.000 0.957 264 T CA -0.753 61.337 62.100 -0.017 0.000 1.002 264 T CB 1.386 70.240 68.868 -0.023 0.000 0.919 264 T HN 0.549 nan 8.240 nan 0.000 0.468 265 P HA 0.310 nan 4.420 nan 0.000 0.276 265 P C 0.149 177.424 177.300 -0.042 0.000 1.261 265 P CA -0.440 62.645 63.100 -0.026 0.000 0.800 265 P CB 1.217 32.906 31.700 -0.017 0.000 1.066 266 D N -0.220 120.157 120.400 -0.038 0.000 2.194 266 D HA 0.074 4.715 4.640 0.001 0.000 0.204 266 D C 0.660 176.921 176.300 -0.065 0.000 0.964 266 D CA 1.430 55.401 54.000 -0.048 0.000 0.846 266 D CB 0.312 41.089 40.800 -0.038 0.000 0.962 266 D HN 0.358 nan 8.370 nan 0.000 0.490 267 I N 0.784 121.316 120.570 -0.064 0.000 2.607 267 I HA 0.200 4.370 4.170 0.001 0.000 0.290 267 I C -1.275 174.795 176.117 -0.079 0.000 1.129 267 I CA -0.965 60.285 61.300 -0.084 0.000 1.042 267 I CB 2.938 40.885 38.000 -0.090 0.000 1.242 267 I HN -0.233 nan 8.210 nan 0.000 0.421 268 L N 6.080 127.240 121.223 -0.106 0.000 2.322 268 L HA 0.735 5.075 4.340 0.001 0.000 0.281 268 L C -0.040 176.770 176.870 -0.099 0.000 1.014 268 L CA 0.227 54.998 54.840 -0.115 0.000 0.815 268 L CB 1.827 43.757 42.059 -0.214 0.000 1.247 268 L HN 0.742 nan 8.230 nan 0.000 0.421 269 T N 3.497 118.019 114.554 -0.053 0.000 2.856 269 T HA 0.803 5.153 4.350 0.001 0.000 0.283 269 T C -0.561 174.145 174.700 0.010 0.000 1.008 269 T CA -0.683 61.398 62.100 -0.032 0.000 0.997 269 T CB 1.098 69.954 68.868 -0.020 0.000 0.992 269 T HN 0.572 nan 8.240 nan 0.000 0.454 270 L N 2.152 123.386 121.223 0.019 0.000 2.393 270 L HA 0.736 5.076 4.340 0.001 0.000 0.260 270 L C 0.408 177.309 176.870 0.053 0.000 1.002 270 L CA -0.864 54.013 54.840 0.062 0.000 0.818 270 L CB 2.503 44.613 42.059 0.085 0.000 1.369 270 L HN 1.056 nan 8.230 nan 0.000 0.412 271 S N -0.613 115.126 115.700 0.064 0.000 6.176 271 S HA 0.149 4.619 4.470 0.001 0.000 0.108 271 S C 1.014 175.640 174.600 0.043 0.000 1.234 271 S CA -0.506 57.724 58.200 0.051 0.000 1.275 271 S CB 0.217 63.451 63.200 0.057 0.000 1.979 271 S HN 0.453 nan 8.310 nan 0.000 0.622 272 K N 1.553 121.981 120.400 0.046 0.000 2.005 272 K HA -0.234 4.086 4.320 0.001 0.000 0.229 272 K C 2.442 179.051 176.600 0.014 0.000 1.050 272 K CA 2.801 59.106 56.287 0.031 0.000 0.994 272 K CB -1.299 31.220 32.500 0.032 0.000 0.736 272 K HN 0.799 nan 8.250 nan 0.000 0.448 273 T N 0.272 114.834 114.554 0.012 0.000 2.881 273 T HA -0.138 4.212 4.350 0.001 0.000 0.270 273 T C 1.859 176.555 174.700 -0.007 0.000 1.068 273 T CA 1.215 63.311 62.100 -0.007 0.000 1.131 273 T CB -0.209 68.652 68.868 -0.011 0.000 0.871 273 T HN 0.128 nan 8.240 nan 0.000 0.479 274 L N 1.855 123.088 121.223 0.016 0.000 2.093 274 L HA 0.346 4.687 4.340 0.001 0.000 0.208 274 L C 2.526 179.394 176.870 -0.003 0.000 1.085 274 L CA 1.900 56.749 54.840 0.016 0.000 0.755 274 L CB -1.001 41.083 42.059 0.041 0.000 0.904 274 L HN 0.402 nan 8.230 nan 0.000 0.435 275 G N -2.106 106.693 108.800 -0.002 0.000 2.880 275 G HA2 0.217 4.177 3.960 0.001 0.000 0.209 275 G HA3 0.217 4.177 3.960 0.001 0.000 0.209 275 G C 1.033 175.924 174.900 -0.016 0.000 1.157 275 G CA 0.382 45.477 45.100 -0.010 0.000 0.779 275 G HN 0.773 nan 8.290 nan 0.000 0.539 276 A N -1.427 121.380 122.820 -0.022 0.000 2.798 276 A HA 0.126 4.447 4.320 0.001 0.000 0.282 276 A C 1.883 179.452 177.584 -0.024 0.000 1.464 276 A CA 2.083 54.099 52.037 -0.034 0.000 0.844 276 A CB -1.439 17.532 19.000 -0.049 0.000 1.006 276 A HN 2.146 nan 8.150 nan 0.000 0.577 277 G N -3.275 105.520 108.800 -0.008 0.000 2.797 277 G HA2 0.179 4.139 3.960 0.001 0.000 0.195 277 G HA3 0.179 4.139 3.960 0.001 0.000 0.195 277 G C 0.004 174.915 174.900 0.020 0.000 1.026 277 G CA 0.199 45.306 45.100 0.012 0.000 0.759 277 G HN 1.676 nan 8.290 nan 0.000 0.475 278 L N 3.427 124.656 121.223 0.009 0.000 2.379 278 L HA 0.708 5.049 4.340 0.001 0.000 0.269 278 L C -1.831 175.035 176.870 -0.007 0.000 1.084 278 L CA -2.224 52.617 54.840 0.001 0.000 0.802 278 L CB 0.706 42.763 42.059 -0.003 0.000 1.175 278 L HN -0.008 nan 8.230 nan 0.000 0.448 279 P HA 0.191 nan 4.420 nan 0.000 0.260 279 P C -1.283 176.003 177.300 -0.023 0.000 1.651 279 P CA -0.135 62.952 63.100 -0.023 0.000 1.139 279 P CB 0.378 32.050 31.700 -0.046 0.000 1.756 280 L N 2.905 124.125 121.223 -0.005 0.000 2.422 280 L HA 0.858 5.198 4.340 0.001 0.000 0.264 280 L C -1.274 175.604 176.870 0.014 0.000 0.984 280 L CA -0.747 54.093 54.840 0.001 0.000 0.819 280 L CB 2.238 44.293 42.059 -0.006 0.000 1.330 280 L HN 0.388 nan 8.230 nan 0.000 0.410 281 A N 3.036 125.867 122.820 0.019 0.000 2.567 281 A HA 1.080 5.400 4.320 0.001 0.000 0.289 281 A C -1.522 176.068 177.584 0.010 0.000 1.177 281 A CA -0.097 51.952 52.037 0.021 0.000 0.694 281 A CB 1.468 20.485 19.000 0.027 0.000 1.292 281 A HN 1.847 nan 8.150 nan 0.000 0.425 282 A N -0.626 122.193 122.820 -0.002 0.000 2.597 282 A HA 0.707 5.027 4.320 0.001 0.000 0.292 282 A C -1.120 176.435 177.584 -0.049 0.000 1.057 282 A CA 0.189 52.212 52.037 -0.022 0.000 0.674 282 A CB 0.425 19.417 19.000 -0.013 0.000 1.278 282 A HN 2.238 nan 8.150 nan 0.000 0.416 283 I N -1.443 119.083 120.570 -0.073 0.000 2.785 283 I HA 0.936 5.106 4.170 0.001 0.000 0.302 283 I C -1.244 174.815 176.117 -0.097 0.000 1.069 283 I CA -1.229 60.014 61.300 -0.096 0.000 1.045 283 I CB 2.247 40.172 38.000 -0.126 0.000 1.236 283 I HN 0.370 nan 8.210 nan 0.000 0.429 284 V N 3.058 122.903 119.914 -0.116 0.000 2.709 284 V HA 0.691 4.812 4.120 0.001 0.000 0.308 284 V C -0.174 175.848 176.094 -0.120 0.000 1.062 284 V CA -0.248 61.981 62.300 -0.118 0.000 0.901 284 V CB 1.679 33.413 31.823 -0.148 0.000 1.003 284 V HN 0.996 nan 8.190 nan 0.000 0.425 285 T N 1.560 116.049 114.554 -0.108 0.000 2.778 285 T HA 0.587 4.937 4.350 0.001 0.000 0.293 285 T C -0.048 174.601 174.700 -0.085 0.000 1.144 285 T CA 0.174 62.212 62.100 -0.103 0.000 1.010 285 T CB 1.991 70.786 68.868 -0.121 0.000 1.325 285 T HN 1.063 nan 8.240 nan 0.000 0.515 286 S N 0.807 116.462 115.700 -0.075 0.000 2.614 286 S HA 0.563 5.033 4.470 0.001 0.000 0.265 286 S C 1.688 176.255 174.600 -0.054 0.000 1.303 286 S CA -0.025 58.140 58.200 -0.059 0.000 1.000 286 S CB 0.733 63.903 63.200 -0.050 0.000 0.935 286 S HN 1.005 nan 8.310 nan 0.000 0.551 287 A N 1.749 124.544 122.820 -0.042 0.000 1.933 287 A HA 0.158 4.479 4.320 0.001 0.000 0.218 287 A C 2.378 179.944 177.584 -0.030 0.000 1.175 287 A CA 1.722 53.738 52.037 -0.035 0.000 0.628 287 A CB -1.650 17.333 19.000 -0.027 0.000 0.814 287 A HN 1.346 nan 8.150 nan 0.000 0.444 288 A N -0.181 122.622 122.820 -0.029 0.000 1.930 288 A HA -0.043 4.278 4.320 0.001 0.000 0.217 288 A C 2.114 179.681 177.584 -0.027 0.000 1.175 288 A CA 1.482 53.506 52.037 -0.022 0.000 0.627 288 A CB -0.530 18.457 19.000 -0.022 0.000 0.815 288 A HN 0.496 nan 8.150 nan 0.000 0.443 289 I N -0.813 119.731 120.570 -0.043 0.000 2.286 289 I HA -0.174 3.997 4.170 0.001 0.000 0.245 289 I C 2.616 178.691 176.117 -0.070 0.000 1.104 289 I CA 1.344 62.609 61.300 -0.058 0.000 1.397 289 I CB -0.249 37.706 38.000 -0.076 0.000 1.072 289 I HN 0.366 nan 8.210 nan 0.000 0.417 290 E N 1.123 121.280 120.200 -0.072 0.000 2.110 290 E HA -0.234 4.116 4.350 0.001 0.000 0.193 290 E C 1.946 178.547 176.600 0.001 0.000 0.988 290 E CA 1.323 57.681 56.400 -0.069 0.000 0.804 290 E CB 0.047 29.709 29.700 -0.063 0.000 0.745 290 E HN 0.385 nan 8.360 nan 0.000 0.458 291 E N 0.464 120.670 120.200 0.010 0.000 2.051 291 E HA -0.193 4.157 4.350 0.001 0.000 0.192 291 E C 2.202 178.846 176.600 0.074 0.000 0.991 291 E CA 0.904 57.336 56.400 0.053 0.000 0.799 291 E CB -0.286 29.431 29.700 0.028 0.000 0.748 291 E HN 0.051 nan 8.360 nan 0.000 0.449 292 R N 1.129 121.647 120.500 0.030 0.000 2.075 292 R HA -0.027 4.314 4.340 0.001 0.000 0.232 292 R C 2.084 178.403 176.300 0.032 0.000 1.126 292 R CA 1.720 57.834 56.100 0.024 0.000 0.963 292 R CB -0.842 29.459 30.300 0.003 0.000 0.858 292 R HN 0.121 nan 8.270 nan 0.000 0.435 293 A N -0.575 122.254 122.820 0.014 0.000 1.902 293 A HA -0.218 4.102 4.320 0.001 0.000 0.217 293 A C 2.142 179.800 177.584 0.124 0.000 1.181 293 A CA 1.950 54.002 52.037 0.025 0.000 0.623 293 A CB -0.972 17.933 19.000 -0.158 0.000 0.818 293 A HN 0.647 nan 8.150 nan 0.000 0.443 294 H N -0.105 118.998 119.070 0.056 0.000 2.321 294 H HA -0.089 4.468 4.556 0.001 0.000 0.300 294 H C 1.911 177.279 175.328 0.066 0.000 1.087 294 H CA 2.088 58.186 56.048 0.085 0.000 1.319 294 H CB -0.202 29.595 29.762 0.058 0.000 1.379 294 H HN 0.607 nan 8.280 nan 0.000 0.501 295 E N -0.654 119.532 120.200 -0.023 0.000 2.160 295 E HA -0.136 4.214 4.350 0.001 0.000 0.195 295 E C 1.241 177.799 176.600 -0.070 0.000 0.991 295 E CA 0.901 57.263 56.400 -0.063 0.000 0.810 295 E CB 0.037 29.742 29.700 0.008 0.000 0.742 295 E HN 0.296 nan 8.360 nan 0.000 0.466 296 L N -0.670 120.538 121.223 -0.024 0.000 2.591 296 L HA 0.169 4.509 4.340 0.001 0.000 0.228 296 L C 1.147 178.018 176.870 0.002 0.000 1.133 296 L CA 1.045 55.886 54.840 0.001 0.000 0.880 296 L CB -0.094 41.987 42.059 0.036 0.000 1.033 296 L HN 0.221 nan 8.230 nan 0.000 0.450 297 G N -1.394 107.382 108.800 -0.040 0.000 2.171 297 G HA2 -0.366 3.594 3.960 0.001 0.000 0.238 297 G HA3 -0.366 3.594 3.960 0.001 0.000 0.238 297 G C 0.191 175.127 174.900 0.060 0.000 1.039 297 G CA -0.016 45.062 45.100 -0.035 0.000 0.759 297 G HN 0.260 nan 8.290 nan 0.000 0.501 298 Y N -0.463 119.842 120.300 0.008 0.000 2.895 298 Y HA 0.344 4.894 4.550 0.000 0.000 0.334 298 Y C 0.332 176.288 175.900 0.094 0.000 1.261 298 Y CA 0.280 58.420 58.100 0.066 0.000 1.560 298 Y CB 0.417 38.932 38.460 0.092 0.000 1.253 298 Y HN 0.512 nan 8.280 nan 0.000 0.582 299 L N 8.155 129.078 121.223 -0.501 0.000 2.381 299 L HA 0.515 4.856 4.340 0.001 0.000 0.274 299 L C -1.859 174.714 176.870 -0.495 0.000 0.988 299 L CA -0.663 53.952 54.840 -0.375 0.000 0.824 299 L CB 1.219 43.154 42.059 -0.206 0.000 1.263 299 L HN 0.641 nan 8.230 nan 0.000 0.410 300 F N 5.546 125.278 119.950 -0.364 0.000 2.883 300 F HA 0.288 4.816 4.527 0.000 0.000 0.383 300 F C -1.762 174.020 175.800 -0.029 0.000 1.342 300 F CA -0.403 57.471 58.000 -0.210 0.000 1.150 300 F CB 0.390 39.267 39.000 -0.205 0.000 2.189 300 F HN 0.457 nan 8.300 nan 0.000 0.593 301 Y N 2.895 123.036 120.300 -0.264 0.000 2.385 301 Y HA 0.534 5.085 4.550 0.001 0.000 0.341 301 Y C 0.361 176.139 175.900 -0.202 0.000 0.965 301 Y CA -0.180 57.817 58.100 -0.172 0.000 1.180 301 Y CB 0.784 39.145 38.460 -0.164 0.000 1.139 301 Y HN 0.431 nan 8.280 nan 0.000 0.502 302 T N -0.269 114.135 114.554 -0.249 0.000 2.883 302 T HA 0.290 4.640 4.350 0.001 0.000 0.284 302 T C 0.885 175.434 174.700 -0.252 0.000 1.041 302 T CA -0.356 61.640 62.100 -0.174 0.000 1.007 302 T CB 1.466 70.294 68.868 -0.067 0.000 1.220 302 T HN 0.436 nan 8.240 nan 0.000 0.552 303 T N 0.483 114.920 114.554 -0.195 0.000 2.708 303 T HA -0.078 4.273 4.350 0.001 0.000 0.266 303 T C 1.221 175.717 174.700 -0.339 0.000 1.037 303 T CA 1.363 63.280 62.100 -0.305 0.000 1.146 303 T CB -0.449 68.125 68.868 -0.491 0.000 0.865 303 T HN 0.693 nan 8.240 nan 0.000 0.435 304 H N -0.284 118.795 119.070 0.015 0.000 2.549 304 H HA 0.398 4.955 4.556 0.000 0.000 0.279 304 H C 0.657 175.978 175.328 -0.012 0.000 1.018 304 H CA -0.340 55.734 56.048 0.042 0.000 1.175 304 H CB -0.334 29.457 29.762 0.048 0.000 1.485 304 H HN 0.162 nan 8.280 nan 0.000 0.543 305 V N 1.910 121.826 119.914 0.003 0.000 2.694 305 V HA -0.087 4.033 4.120 0.001 0.000 0.306 305 V C 0.475 176.528 176.094 -0.068 0.000 1.054 305 V CA 0.717 63.002 62.300 -0.025 0.000 1.161 305 V CB 0.457 32.234 31.823 -0.076 0.000 0.916 305 V HN 0.662 nan 8.190 nan 0.000 0.490 306 S N 3.067 118.748 115.700 -0.031 0.000 3.587 306 S HA -0.168 4.302 4.470 0.001 0.000 0.337 306 S C -0.073 174.506 174.600 -0.035 0.000 1.119 306 S CA 1.022 59.197 58.200 -0.042 0.000 0.976 306 S CB -1.389 61.767 63.200 -0.072 0.000 0.922 306 S HN 0.984 nan 8.310 nan 0.000 0.503 307 D N 1.506 121.913 120.400 0.011 0.000 2.351 307 D HA 0.249 4.890 4.640 0.001 0.000 0.251 307 D C -0.557 175.756 176.300 0.021 0.000 1.137 307 D CA -1.795 52.231 54.000 0.043 0.000 0.879 307 D CB 0.942 41.850 40.800 0.181 0.000 1.181 307 D HN 0.142 nan 8.370 nan 0.000 0.448 308 P HA -0.141 nan 4.420 nan 0.000 0.217 308 P C 1.808 179.067 177.300 -0.067 0.000 1.150 308 P CA 0.648 63.743 63.100 -0.008 0.000 0.832 308 P CB 0.540 32.280 31.700 0.067 0.000 0.787 309 L N 0.195 121.434 121.223 0.025 0.000 2.017 309 L HA -0.017 4.323 4.340 0.001 0.000 0.208 309 L C -0.606 176.228 176.870 -0.060 0.000 1.073 309 L CA 2.385 57.230 54.840 0.008 0.000 0.745 309 L CB -1.899 40.225 42.059 0.108 0.000 0.894 309 L HN -0.016 nan 8.230 nan 0.000 0.432 310 P HA -0.153 nan 4.420 nan 0.000 0.215 310 P C 1.411 178.671 177.300 -0.067 0.000 1.153 310 P CA 1.910 64.988 63.100 -0.036 0.000 0.853 310 P CB -0.118 31.574 31.700 -0.013 0.000 0.788 311 A N -0.125 122.645 122.820 -0.084 0.000 1.930 311 A HA -0.068 4.253 4.320 0.001 0.000 0.217 311 A C 2.285 179.768 177.584 -0.168 0.000 1.175 311 A CA 1.894 53.871 52.037 -0.101 0.000 0.627 311 A CB -1.535 17.412 19.000 -0.087 0.000 0.815 311 A HN 0.185 nan 8.150 nan 0.000 0.443 312 A N -0.605 122.032 122.820 -0.304 0.000 1.930 312 A HA 0.043 4.363 4.320 0.001 0.000 0.217 312 A C 2.201 179.648 177.584 -0.229 0.000 1.175 312 A CA 1.659 53.426 52.037 -0.451 0.000 0.627 312 A CB -0.767 17.510 19.000 -1.206 0.000 0.815 312 A HN 0.342 nan 8.150 nan 0.000 0.443 313 V N -0.168 119.654 119.914 -0.153 0.000 2.307 313 V HA -0.158 3.963 4.120 0.001 0.000 0.245 313 V C 2.821 178.877 176.094 -0.064 0.000 1.045 313 V CA 1.944 64.200 62.300 -0.073 0.000 1.024 313 V CB -1.341 30.458 31.823 -0.039 0.000 0.651 313 V HN 0.598 nan 8.190 nan 0.000 0.449 314 G N -0.286 108.476 108.800 -0.062 0.000 2.418 314 G HA2 -0.258 3.702 3.960 0.001 0.000 0.217 314 G HA3 -0.258 3.702 3.960 0.001 0.000 0.217 314 G C 1.589 176.463 174.900 -0.044 0.000 1.158 314 G CA 1.121 46.195 45.100 -0.043 0.000 0.771 314 G HN 0.431 nan 8.290 nan 0.000 0.545 315 L N 0.547 121.735 121.223 -0.058 0.000 2.046 315 L HA 0.061 4.401 4.340 0.001 0.000 0.208 315 L C 2.707 179.553 176.870 -0.041 0.000 1.077 315 L CA 1.980 56.792 54.840 -0.046 0.000 0.747 315 L CB -0.416 41.608 42.059 -0.059 0.000 0.896 315 L HN 0.194 nan 8.230 nan 0.000 0.432 316 R N -0.858 119.613 120.500 -0.048 0.000 2.115 316 R HA -0.081 4.259 4.340 0.001 0.000 0.230 316 R C 2.005 178.265 176.300 -0.066 0.000 1.111 316 R CA 1.869 57.944 56.100 -0.041 0.000 0.976 316 R CB -0.970 29.314 30.300 -0.026 0.000 0.870 316 R HN 0.314 nan 8.270 nan 0.000 0.445 317 V N 0.729 120.601 119.914 -0.071 0.000 2.295 317 V HA -0.232 3.888 4.120 0.001 0.000 0.246 317 V C 2.326 178.374 176.094 -0.076 0.000 1.049 317 V CA 1.921 64.168 62.300 -0.089 0.000 1.024 317 V CB -0.460 31.322 31.823 -0.069 0.000 0.648 317 V HN 0.291 nan 8.190 nan 0.000 0.447 318 L N -0.305 120.888 121.223 -0.051 0.000 2.046 318 L HA -0.195 4.145 4.340 0.001 0.000 0.208 318 L C 2.410 179.256 176.870 -0.040 0.000 1.077 318 L CA 1.605 56.421 54.840 -0.041 0.000 0.747 318 L CB -0.854 41.195 42.059 -0.016 0.000 0.896 318 L HN 0.341 nan 8.230 nan 0.000 0.432 319 D N -0.108 120.271 120.400 -0.034 0.000 2.104 319 D HA -0.159 4.482 4.640 0.001 0.000 0.194 319 D C 2.317 178.598 176.300 -0.031 0.000 0.994 319 D CA 1.188 55.173 54.000 -0.024 0.000 0.830 319 D CB -0.230 40.561 40.800 -0.014 0.000 0.959 319 D HN 0.091 nan 8.370 nan 0.000 0.452 320 V N 0.492 120.373 119.914 -0.055 0.000 2.358 320 V HA -0.183 3.938 4.120 0.001 0.000 0.246 320 V C 2.651 178.712 176.094 -0.054 0.000 1.047 320 V CA 0.921 63.182 62.300 -0.064 0.000 1.035 320 V CB -0.400 31.329 31.823 -0.156 0.000 0.658 320 V HN 0.054 nan 8.190 nan 0.000 0.452 321 V N -0.406 119.467 119.914 -0.068 0.000 2.343 321 V HA -0.325 3.796 4.120 0.001 0.000 0.247 321 V C 2.461 178.525 176.094 -0.050 0.000 1.051 321 V CA 2.094 64.355 62.300 -0.065 0.000 1.036 321 V CB -0.620 31.152 31.823 -0.085 0.000 0.654 321 V HN 0.596 nan 8.190 nan 0.000 0.451 322 Q N -0.579 119.194 119.800 -0.044 0.000 2.016 322 Q HA -0.200 4.140 4.340 0.001 0.000 0.200 322 Q C 2.539 178.528 176.000 -0.018 0.000 0.978 322 Q CA 1.659 57.444 55.803 -0.031 0.000 0.833 322 Q CB -0.290 28.434 28.738 -0.024 0.000 0.895 322 Q HN 0.504 nan 8.270 nan 0.000 0.427 323 R N 0.787 121.280 120.500 -0.012 0.000 2.083 323 R HA -0.162 4.179 4.340 0.001 0.000 0.237 323 R C 0.550 176.852 176.300 0.004 0.000 1.137 323 R CA 1.768 57.868 56.100 -0.000 0.000 0.951 323 R CB 0.040 30.344 30.300 0.007 0.000 0.851 323 R HN 0.193 nan 8.270 nan 0.000 0.434 324 D N -0.690 119.712 120.400 0.004 0.000 2.319 324 D HA 0.117 4.757 4.640 0.001 0.000 0.230 324 D C 0.449 176.749 176.300 0.001 0.000 1.094 324 D CA 0.821 54.828 54.000 0.011 0.000 0.856 324 D CB 0.393 41.210 40.800 0.029 0.000 0.915 324 D HN 0.516 nan 8.370 nan 0.000 0.517 325 G N 1.441 110.234 108.800 -0.010 0.000 2.356 325 G HA2 -0.313 3.648 3.960 0.001 0.000 0.296 325 G HA3 -0.313 3.648 3.960 0.001 0.000 0.296 325 G C 1.035 175.921 174.900 -0.024 0.000 1.022 325 G CA 0.252 45.341 45.100 -0.017 0.000 0.961 325 G HN 0.431 nan 8.290 nan 0.000 0.510 326 L N -0.980 120.224 121.223 -0.031 0.000 2.362 326 L HA -0.062 4.278 4.340 0.001 0.000 0.219 326 L C 2.804 179.642 176.870 -0.053 0.000 1.134 326 L CA 0.738 55.556 54.840 -0.038 0.000 0.807 326 L CB -0.408 41.626 42.059 -0.042 0.000 0.927 326 L HN 0.327 nan 8.230 nan 0.000 0.447 327 V N 0.320 120.196 119.914 -0.063 0.000 2.358 327 V HA -0.261 3.860 4.120 0.001 0.000 0.246 327 V C 2.784 178.847 176.094 -0.052 0.000 1.047 327 V CA 1.838 64.094 62.300 -0.073 0.000 1.035 327 V CB -0.724 31.047 31.823 -0.087 0.000 0.658 327 V HN 0.485 nan 8.190 nan 0.000 0.452 328 A N -0.022 122.775 122.820 -0.039 0.000 1.898 328 A HA -0.190 4.131 4.320 0.001 0.000 0.216 328 A C 2.360 179.928 177.584 -0.027 0.000 1.181 328 A CA 1.479 53.499 52.037 -0.028 0.000 0.620 328 A CB -0.475 18.514 19.000 -0.020 0.000 0.819 328 A HN 0.481 nan 8.150 nan 0.000 0.442 329 R N -0.407 120.077 120.500 -0.026 0.000 2.127 329 R HA -0.123 4.218 4.340 0.001 0.000 0.238 329 R C 2.366 178.646 176.300 -0.034 0.000 1.134 329 R CA 1.151 57.236 56.100 -0.024 0.000 0.975 329 R CB -0.529 29.759 30.300 -0.019 0.000 0.865 329 R HN 0.525 nan 8.270 nan 0.000 0.447 330 A N 1.680 124.473 122.820 -0.045 0.000 1.972 330 A HA -0.167 4.153 4.320 0.001 0.000 0.219 330 A C 1.764 179.320 177.584 -0.048 0.000 1.169 330 A CA 1.350 53.354 52.037 -0.056 0.000 0.635 330 A CB -0.314 18.648 19.000 -0.064 0.000 0.810 330 A HN 0.269 nan 8.150 nan 0.000 0.446 331 N N -0.053 118.625 118.700 -0.038 0.000 2.207 331 N HA -0.074 4.666 4.740 0.001 0.000 0.182 331 N C 1.773 177.268 175.510 -0.024 0.000 1.020 331 N CA 1.498 54.530 53.050 -0.029 0.000 0.858 331 N CB -0.364 38.109 38.487 -0.023 0.000 0.991 331 N HN 0.275 nan 8.380 nan 0.000 0.427 332 V N 1.929 121.830 119.914 -0.021 0.000 2.270 332 V HA -0.159 3.962 4.120 0.001 0.000 0.245 332 V C 2.409 178.493 176.094 -0.016 0.000 1.043 332 V CA 1.260 63.552 62.300 -0.014 0.000 1.014 332 V CB -0.329 31.488 31.823 -0.009 0.000 0.645 332 V HN 0.229 nan 8.190 nan 0.000 0.447 333 M N 0.392 119.978 119.600 -0.023 0.000 2.229 333 M HA -0.018 4.462 4.480 0.001 0.000 0.264 333 M C 2.318 178.591 176.300 -0.044 0.000 1.063 333 M CA 1.828 57.111 55.300 -0.029 0.000 1.114 333 M CB -1.793 30.785 32.600 -0.037 0.000 1.387 333 M HN 0.451 nan 8.290 nan 0.000 0.420 334 G N 0.158 108.928 108.800 -0.051 0.000 2.418 334 G HA2 -0.267 3.694 3.960 0.001 0.000 0.217 334 G HA3 -0.267 3.694 3.960 0.001 0.000 0.217 334 G C 1.252 176.129 174.900 -0.038 0.000 1.158 334 G CA 1.399 46.465 45.100 -0.057 0.000 0.771 334 G HN 0.486 nan 8.290 nan 0.000 0.545 335 D N -0.399 119.986 120.400 -0.025 0.000 2.149 335 D HA -0.047 4.593 4.640 0.001 0.000 0.201 335 D C 2.397 178.692 176.300 -0.008 0.000 0.972 335 D CA 0.676 54.667 54.000 -0.014 0.000 0.835 335 D CB -0.101 40.693 40.800 -0.009 0.000 0.966 335 D HN 0.256 nan 8.370 nan 0.000 0.476 336 R N -0.023 120.473 120.500 -0.007 0.000 2.081 336 R HA -0.073 4.268 4.340 0.001 0.000 0.235 336 R C 2.363 178.667 176.300 0.007 0.000 1.131 336 R CA 0.789 56.891 56.100 0.003 0.000 0.960 336 R CB -0.371 29.933 30.300 0.008 0.000 0.856 336 R HN 0.287 nan 8.270 nan 0.000 0.436 337 L N 0.731 121.951 121.223 -0.006 0.000 2.027 337 L HA -0.189 4.151 4.340 0.001 0.000 0.206 337 L C 2.738 179.607 176.870 -0.001 0.000 1.074 337 L CA 1.553 56.392 54.840 -0.002 0.000 0.745 337 L CB -0.450 41.575 42.059 -0.057 0.000 0.898 337 L HN 0.307 nan 8.230 nan 0.000 0.433 338 R N -0.006 120.487 120.500 -0.013 0.000 2.081 338 R HA -0.208 4.132 4.340 0.001 0.000 0.235 338 R C 2.337 178.640 176.300 0.004 0.000 1.131 338 R CA 1.526 57.621 56.100 -0.008 0.000 0.960 338 R CB -0.137 30.155 30.300 -0.012 0.000 0.856 338 R HN 0.350 nan 8.270 nan 0.000 0.436 339 R N -0.779 119.724 120.500 0.005 0.000 2.081 339 R HA -0.085 4.256 4.340 0.001 0.000 0.235 339 R C 2.360 178.669 176.300 0.015 0.000 1.131 339 R CA 1.417 57.523 56.100 0.009 0.000 0.960 339 R CB -0.517 29.788 30.300 0.008 0.000 0.856 339 R HN 0.387 nan 8.270 nan 0.000 0.436 340 G N 0.724 109.536 108.800 0.021 0.000 2.422 340 G HA2 -0.210 3.750 3.960 0.001 0.000 0.218 340 G HA3 -0.210 3.750 3.960 0.001 0.000 0.218 340 G C 1.392 176.313 174.900 0.036 0.000 1.146 340 G CA 0.420 45.538 45.100 0.030 0.000 0.769 340 G HN 0.138 nan 8.290 nan 0.000 0.547 341 L N -0.251 120.991 121.223 0.032 0.000 2.109 341 L HA 0.080 4.420 4.340 0.001 0.000 0.207 341 L C 2.824 179.716 176.870 0.037 0.000 1.086 341 L CA 0.397 55.258 54.840 0.035 0.000 0.760 341 L CB -0.303 41.769 42.059 0.021 0.000 0.910 341 L HN 0.180 nan 8.230 nan 0.000 0.437 342 L N -0.578 120.660 121.223 0.025 0.000 2.141 342 L HA -0.190 4.151 4.340 0.001 0.000 0.209 342 L C 2.133 179.017 176.870 0.023 0.000 1.094 342 L CA 0.813 55.666 54.840 0.022 0.000 0.763 342 L CB -0.506 41.561 42.059 0.013 0.000 0.908 342 L HN 0.251 nan 8.230 nan 0.000 0.437 343 D N 0.215 120.628 120.400 0.021 0.000 2.117 343 D HA -0.153 4.487 4.640 0.001 0.000 0.197 343 D C 2.374 178.684 176.300 0.016 0.000 0.987 343 D CA 1.179 55.185 54.000 0.011 0.000 0.829 343 D CB -0.117 40.689 40.800 0.010 0.000 0.961 343 D HN 0.247 nan 8.370 nan 0.000 0.460 344 L N 0.121 121.383 121.223 0.065 0.000 2.093 344 L HA -0.095 4.245 4.340 0.001 0.000 0.208 344 L C 2.521 179.490 176.870 0.164 0.000 1.085 344 L CA 0.644 55.578 54.840 0.156 0.000 0.755 344 L CB -0.273 41.914 42.059 0.213 0.000 0.904 344 L HN 0.054 nan 8.230 nan 0.000 0.435 345 M N -0.262 119.400 119.600 0.103 0.000 2.213 345 M HA -0.238 4.242 4.480 0.001 0.000 0.263 345 M C 2.035 178.362 176.300 0.046 0.000 1.062 345 M CA 1.720 57.075 55.300 0.090 0.000 1.105 345 M CB 0.006 32.639 32.600 0.054 0.000 1.385 345 M HN 0.204 nan 8.290 nan 0.000 0.417 346 E N -0.398 119.804 120.200 0.003 0.000 2.106 346 E HA -0.184 4.166 4.350 0.001 0.000 0.192 346 E C 2.062 178.604 176.600 -0.097 0.000 0.984 346 E CA 1.045 57.424 56.400 -0.034 0.000 0.806 346 E CB 0.057 29.733 29.700 -0.039 0.000 0.750 346 E HN 0.541 nan 8.360 nan 0.000 0.458 347 R N -0.372 120.012 120.500 -0.193 0.000 2.093 347 R HA 0.033 4.373 4.340 0.001 0.000 0.224 347 R C 0.067 176.043 176.300 -0.539 0.000 1.101 347 R CA 0.525 56.349 56.100 -0.461 0.000 0.979 347 R CB 0.174 29.997 30.300 -0.795 0.000 0.877 347 R HN 0.019 nan 8.270 nan 0.000 0.441 348 F N 0.262 120.216 119.950 0.006 0.000 2.402 348 F HA 0.140 4.667 4.527 0.001 0.000 0.355 348 F C 0.814 176.624 175.800 0.017 0.000 1.123 348 F CA -1.438 56.568 58.000 0.011 0.000 1.021 348 F CB 1.461 40.468 39.000 0.011 0.000 1.160 348 F HN -0.119 nan 8.300 nan 0.000 0.451 349 D N 1.462 121.977 120.400 0.191 0.000 2.378 349 D HA -0.157 4.484 4.640 0.001 0.000 0.222 349 D C 1.915 178.285 176.300 0.117 0.000 0.980 349 D CA 1.089 55.161 54.000 0.120 0.000 0.907 349 D CB 0.224 41.074 40.800 0.084 0.000 0.899 349 D HN 0.600 nan 8.370 nan 0.000 0.527 350 C N -0.680 118.703 119.300 0.138 0.000 2.539 350 C HA 0.319 4.779 4.460 0.001 0.000 0.268 350 C C 1.122 176.168 174.990 0.093 0.000 1.395 350 C CA -0.836 58.240 59.018 0.097 0.000 1.757 350 C CB -1.405 26.377 27.740 0.070 0.000 1.851 350 C HN 0.153 nan 8.230 nan 0.000 0.545 351 I N 2.616 123.253 120.570 0.110 0.000 2.308 351 I HA 0.290 4.460 4.170 0.001 0.000 0.293 351 I C 1.555 177.709 176.117 0.062 0.000 1.078 351 I CA 0.308 61.660 61.300 0.086 0.000 1.292 351 I CB 0.888 38.950 38.000 0.104 0.000 1.423 351 I HN 0.422 nan 8.210 nan 0.000 0.493 352 G N 4.205 113.028 108.800 0.038 0.000 2.603 352 G HA2 -0.025 3.935 3.960 0.001 0.000 0.214 352 G HA3 -0.025 3.935 3.960 0.001 0.000 0.214 352 G C 0.034 174.857 174.900 -0.127 0.000 1.140 352 G CA 0.342 45.472 45.100 0.051 0.000 0.800 352 G HN 0.580 nan 8.290 nan 0.000 0.533 353 D N -1.501 118.746 120.400 -0.254 0.000 2.706 353 D HA 0.403 5.044 4.640 0.001 0.000 0.225 353 D C -1.405 174.783 176.300 -0.187 0.000 1.241 353 D CA -0.381 53.401 54.000 -0.364 0.000 0.784 353 D CB 2.078 42.269 40.800 -1.014 0.000 1.521 353 D HN -0.109 nan 8.370 nan 0.000 0.461 354 V N 3.844 123.690 119.914 -0.113 0.000 2.443 354 V HA 0.700 4.821 4.120 0.001 0.000 0.293 354 V C -0.022 176.043 176.094 -0.048 0.000 1.021 354 V CA -0.518 61.750 62.300 -0.053 0.000 0.848 354 V CB 1.306 33.117 31.823 -0.020 0.000 0.998 354 V HN 0.643 nan 8.190 nan 0.000 0.424 355 R N 3.276 123.752 120.500 -0.040 0.000 2.846 355 R HA 0.990 5.330 4.340 0.001 0.000 0.263 355 R C 0.136 176.421 176.300 -0.024 0.000 1.080 355 R CA -0.292 55.793 56.100 -0.024 0.000 0.961 355 R CB 1.851 32.144 30.300 -0.012 0.000 1.231 355 R HN 1.217 nan 8.270 nan 0.000 0.465 356 G N 0.041 108.828 108.800 -0.021 0.000 2.396 356 G HA2 0.043 4.003 3.960 0.001 0.000 0.254 356 G HA3 0.043 4.003 3.960 0.001 0.000 0.254 356 G C -1.488 173.397 174.900 -0.024 0.000 1.248 356 G CA -0.313 44.769 45.100 -0.029 0.000 1.033 356 G HN 0.751 nan 8.290 nan 0.000 0.502 357 R N -0.910 119.572 120.500 -0.029 0.000 2.594 357 R HA 0.573 4.913 4.340 0.001 0.000 0.265 357 R C 0.933 177.211 176.300 -0.036 0.000 1.070 357 R CA 0.954 57.038 56.100 -0.025 0.000 0.909 357 R CB 1.227 31.518 30.300 -0.016 0.000 1.243 357 R HN 2.771 nan 8.270 nan 0.000 0.455 358 G N 2.382 111.160 108.800 -0.037 0.000 2.622 358 G HA2 -0.338 3.623 3.960 0.001 0.000 0.307 358 G HA3 -0.338 3.623 3.960 0.001 0.000 0.307 358 G C 0.003 174.862 174.900 -0.067 0.000 1.226 358 G CA 0.389 45.460 45.100 -0.048 0.000 0.997 358 G HN 0.483 nan 8.290 nan 0.000 0.551 359 L N 0.125 121.299 121.223 -0.082 0.000 2.978 359 L HA 0.503 4.844 4.340 0.001 0.000 0.239 359 L C 0.040 176.841 176.870 -0.114 0.000 1.293 359 L CA -0.232 54.539 54.840 -0.115 0.000 1.085 359 L CB 0.445 42.425 42.059 -0.132 0.000 1.432 359 L HN 0.338 nan 8.230 nan 0.000 0.512 360 L N 1.286 122.458 121.223 -0.085 0.000 2.433 360 L HA 0.499 4.839 4.340 0.001 0.000 0.256 360 L C -0.878 175.954 176.870 -0.064 0.000 1.063 360 L CA -0.029 54.767 54.840 -0.073 0.000 0.922 360 L CB 0.790 42.818 42.059 -0.053 0.000 1.238 360 L HN 0.006 nan 8.230 nan 0.000 0.466 361 L N 2.512 123.692 121.223 -0.070 0.000 2.334 361 L HA 0.914 5.254 4.340 0.001 0.000 0.273 361 L C 0.412 177.266 176.870 -0.027 0.000 1.013 361 L CA -0.760 54.050 54.840 -0.050 0.000 0.816 361 L CB 2.142 44.166 42.059 -0.058 0.000 1.278 361 L HN 0.605 nan 8.230 nan 0.000 0.431 362 G N 0.987 109.777 108.800 -0.016 0.000 2.542 362 G HA2 0.632 4.592 3.960 0.001 0.000 0.311 362 G HA3 0.632 4.592 3.960 0.001 0.000 0.311 362 G C -1.529 173.382 174.900 0.019 0.000 1.298 362 G CA -0.341 44.762 45.100 0.005 0.000 0.973 362 G HN 0.267 nan 8.290 nan 0.000 0.487 363 V N 1.395 121.356 119.914 0.078 0.000 2.443 363 V HA 0.385 4.505 4.120 0.001 0.000 0.293 363 V C -0.210 175.936 176.094 0.088 0.000 1.021 363 V CA -0.799 61.554 62.300 0.087 0.000 0.848 363 V CB 1.475 33.393 31.823 0.159 0.000 0.998 363 V HN 0.881 nan 8.190 nan 0.000 0.424 364 E N 4.997 125.191 120.200 -0.010 0.000 2.167 364 E HA 0.428 4.779 4.350 0.001 0.000 0.284 364 E C -0.864 175.749 176.600 0.021 0.000 1.016 364 E CA -0.680 55.710 56.400 -0.017 0.000 0.817 364 E CB 0.912 30.564 29.700 -0.080 0.000 1.080 364 E HN 0.493 nan 8.360 nan 0.000 0.397 365 I N 5.906 126.498 120.570 0.037 0.000 2.365 365 I HA 0.203 4.374 4.170 0.001 0.000 0.291 365 I C 0.211 176.360 176.117 0.055 0.000 1.004 365 I CA -0.544 60.789 61.300 0.056 0.000 1.311 365 I CB 0.539 38.568 38.000 0.048 0.000 1.401 365 I HN 0.380 nan 8.210 nan 0.000 0.491 366 V N 3.566 123.522 119.914 0.070 0.000 3.040 366 V HA 0.545 4.666 4.120 0.001 0.000 0.312 366 V C 0.606 176.734 176.094 0.056 0.000 1.115 366 V CA -0.926 61.418 62.300 0.073 0.000 0.998 366 V CB 2.406 34.295 31.823 0.111 0.000 1.042 366 V HN 0.778 nan 8.190 nan 0.000 0.433 367 K N 0.420 120.846 120.400 0.043 0.000 2.137 367 K HA 0.114 4.434 4.320 0.001 0.000 0.202 367 K C 0.304 176.926 176.600 0.036 0.000 1.052 367 K CA 1.176 57.483 56.287 0.034 0.000 0.961 367 K CB 0.228 32.741 32.500 0.022 0.000 0.741 367 K HN 0.930 nan 8.250 nan 0.000 0.452 368 D N -0.252 120.169 120.400 0.036 0.000 2.788 368 D HA 0.093 4.733 4.640 0.001 0.000 0.247 368 D C -0.153 176.171 176.300 0.040 0.000 1.236 368 D CA -0.319 53.700 54.000 0.031 0.000 0.898 368 D CB 1.633 42.442 40.800 0.015 0.000 1.401 368 D HN -0.002 nan 8.370 nan 0.000 0.549 369 R N 2.439 122.969 120.500 0.049 0.000 2.189 369 R HA -0.046 4.295 4.340 0.001 0.000 0.223 369 R C 1.257 177.578 176.300 0.035 0.000 1.092 369 R CA 1.193 57.332 56.100 0.064 0.000 0.989 369 R CB 0.357 30.697 30.300 0.067 0.000 0.876 369 R HN 0.290 nan 8.270 nan 0.000 0.457 370 R N -1.952 118.555 120.500 0.011 0.000 2.189 370 R HA 0.110 4.450 4.340 0.001 0.000 0.203 370 R C 1.735 178.013 176.300 -0.037 0.000 1.012 370 R CA 1.181 57.273 56.100 -0.013 0.000 1.015 370 R CB 0.080 30.375 30.300 -0.009 0.000 0.938 370 R HN 0.043 nan 8.270 nan 0.000 0.472 371 T N 0.280 114.817 114.554 -0.028 0.000 3.051 371 T HA 0.112 4.462 4.350 0.001 0.000 0.255 371 T C 0.300 174.963 174.700 -0.061 0.000 1.085 371 T CA 0.074 62.148 62.100 -0.043 0.000 1.109 371 T CB 0.128 68.981 68.868 -0.024 0.000 0.921 371 T HN 0.153 nan 8.240 nan 0.000 0.488 372 K N 1.170 121.547 120.400 -0.038 0.000 3.209 372 K HA -0.179 4.141 4.320 0.001 0.000 0.289 372 K C 0.006 176.602 176.600 -0.007 0.000 1.191 372 K CA 0.379 56.647 56.287 -0.031 0.000 0.851 372 K CB -1.304 31.078 32.500 -0.196 0.000 1.242 372 K HN 0.549 nan 8.250 nan 0.000 0.480 373 E N 1.633 121.833 120.200 -0.001 0.000 2.366 373 E HA 0.060 4.410 4.350 0.001 0.000 0.266 373 E C -2.317 174.298 176.600 0.024 0.000 1.015 373 E CA -1.898 54.504 56.400 0.004 0.000 0.906 373 E CB 0.638 30.339 29.700 0.001 0.000 0.979 373 E HN -0.064 nan 8.360 nan 0.000 0.443 374 P HA -0.089 nan 4.420 nan 0.000 0.267 374 P C -0.753 176.558 177.300 0.018 0.000 1.201 374 P CA 0.390 63.508 63.100 0.030 0.000 0.775 374 P CB 0.984 32.697 31.700 0.022 0.000 0.854 375 A N 2.574 125.403 122.820 0.014 0.000 1.988 375 A HA 0.074 4.394 4.320 0.001 0.000 0.201 375 A C 1.373 178.951 177.584 -0.010 0.000 1.410 375 A CA 1.235 53.276 52.037 0.007 0.000 0.832 375 A CB -1.136 17.873 19.000 0.016 0.000 0.981 375 A HN 0.617 nan 8.150 nan 0.000 0.492 376 D N -1.075 119.308 120.400 -0.028 0.000 4.156 376 D HA -0.335 4.305 4.640 0.001 0.000 0.245 376 D C 1.434 177.707 176.300 -0.046 0.000 1.676 376 D CA 2.998 56.966 54.000 -0.054 0.000 1.936 376 D CB -1.765 39.007 40.800 -0.047 0.000 1.143 376 D HN 0.631 nan 8.370 nan 0.000 0.755 377 G N -0.177 108.608 108.800 -0.026 0.000 2.422 377 G HA2 -0.095 3.865 3.960 0.001 0.000 0.218 377 G HA3 -0.095 3.865 3.960 0.001 0.000 0.218 377 G C 1.499 176.390 174.900 -0.015 0.000 1.146 377 G CA 1.372 46.460 45.100 -0.021 0.000 0.769 377 G HN 0.477 nan 8.290 nan 0.000 0.547 378 L N 1.537 122.755 121.223 -0.010 0.000 2.072 378 L HA 0.239 4.579 4.340 0.001 0.000 0.205 378 L C 2.766 179.643 176.870 0.012 0.000 1.079 378 L CA 2.194 57.035 54.840 0.002 0.000 0.752 378 L CB -1.084 40.980 42.059 0.007 0.000 0.906 378 L HN 0.147 nan 8.230 nan 0.000 0.436 379 G N -0.670 108.119 108.800 -0.019 0.000 2.476 379 G HA2 -0.318 3.642 3.960 0.001 0.000 0.218 379 G HA3 -0.318 3.642 3.960 0.001 0.000 0.218 379 G C 1.594 176.466 174.900 -0.047 0.000 1.164 379 G CA 0.973 46.030 45.100 -0.071 0.000 0.768 379 G HN 0.642 nan 8.290 nan 0.000 0.560 380 A N 0.493 123.281 122.820 -0.054 0.000 1.930 380 A HA 0.029 4.349 4.320 0.001 0.000 0.217 380 A C 2.209 179.807 177.584 0.023 0.000 1.175 380 A CA 2.244 54.265 52.037 -0.026 0.000 0.627 380 A CB -0.365 18.612 19.000 -0.038 0.000 0.815 380 A HN 0.388 nan 8.150 nan 0.000 0.443 381 K N 0.097 120.510 120.400 0.021 0.000 2.026 381 K HA -0.053 4.267 4.320 0.001 0.000 0.208 381 K C 1.626 178.252 176.600 0.042 0.000 1.048 381 K CA 1.684 57.983 56.287 0.020 0.000 0.929 381 K CB -0.444 32.060 32.500 0.007 0.000 0.713 381 K HN 0.486 nan 8.250 nan 0.000 0.439 382 I N 0.224 120.847 120.570 0.088 0.000 2.226 382 I HA -0.289 3.882 4.170 0.001 0.000 0.245 382 I C 1.972 178.166 176.117 0.127 0.000 1.100 382 I CA 1.541 62.898 61.300 0.096 0.000 1.374 382 I CB -0.409 37.700 38.000 0.181 0.000 1.057 382 I HN 0.230 nan 8.210 nan 0.000 0.413 383 T N 0.159 114.877 114.554 0.274 0.000 2.788 383 T HA -0.204 4.146 4.350 0.001 0.000 0.268 383 T C 2.033 176.789 174.700 0.094 0.000 1.044 383 T CA 1.194 63.444 62.100 0.251 0.000 1.139 383 T CB -0.253 68.778 68.868 0.272 0.000 0.867 383 T HN 0.298 nan 8.240 nan 0.000 0.454 384 R N 0.845 121.380 120.500 0.058 0.000 2.073 384 R HA -0.096 4.244 4.340 0.001 0.000 0.234 384 R C 2.320 178.621 176.300 0.003 0.000 1.134 384 R CA 1.284 57.397 56.100 0.021 0.000 0.952 384 R CB -0.053 30.253 30.300 0.009 0.000 0.850 384 R HN 0.322 nan 8.270 nan 0.000 0.433 385 E N 0.242 120.439 120.200 -0.005 0.000 2.110 385 E HA -0.206 4.144 4.350 0.001 0.000 0.193 385 E C 2.161 178.736 176.600 -0.043 0.000 0.988 385 E CA 1.173 57.557 56.400 -0.027 0.000 0.804 385 E CB -0.471 29.204 29.700 -0.041 0.000 0.745 385 E HN 0.435 nan 8.360 nan 0.000 0.458 386 C N 0.737 120.007 119.300 -0.050 0.000 2.413 386 C HA -0.138 4.322 4.460 0.001 0.000 0.276 386 C C 2.808 177.762 174.990 -0.060 0.000 1.236 386 C CA 0.985 59.954 59.018 -0.083 0.000 1.735 386 C CB -0.805 26.869 27.740 -0.111 0.000 2.031 386 C HN 0.397 nan 8.230 nan 0.000 0.474 387 M N 1.794 121.378 119.600 -0.028 0.000 2.086 387 M HA -0.125 4.355 4.480 0.001 0.000 0.261 387 M C 1.706 177.993 176.300 -0.022 0.000 1.067 387 M CA 1.698 56.988 55.300 -0.018 0.000 1.116 387 M CB -1.202 31.401 32.600 0.005 0.000 1.348 387 M HN 0.428 nan 8.290 nan 0.000 0.407 388 N N -0.535 118.152 118.700 -0.021 0.000 2.192 388 N HA -0.164 4.577 4.740 0.001 0.000 0.188 388 N C 1.361 176.855 175.510 -0.027 0.000 1.013 388 N CA 1.316 54.353 53.050 -0.021 0.000 0.863 388 N CB -0.314 38.160 38.487 -0.022 0.000 0.990 388 N HN 0.377 nan 8.380 nan 0.000 0.430 389 L N -0.269 120.931 121.223 -0.038 0.000 2.599 389 L HA 0.132 4.472 4.340 0.001 0.000 0.230 389 L C 0.982 177.824 176.870 -0.047 0.000 1.141 389 L CA -0.033 54.781 54.840 -0.044 0.000 0.877 389 L CB 0.074 42.096 42.059 -0.061 0.000 1.009 389 L HN 0.254 nan 8.230 nan 0.000 0.447 390 G N 1.064 109.837 108.800 -0.044 0.000 2.165 390 G HA2 -0.243 3.718 3.960 0.001 0.000 0.226 390 G HA3 -0.243 3.718 3.960 0.001 0.000 0.226 390 G C -0.576 174.278 174.900 -0.076 0.000 1.035 390 G CA -0.023 45.055 45.100 -0.038 0.000 0.744 390 G HN 0.143 nan 8.290 nan 0.000 0.501 391 L N 0.930 122.087 121.223 -0.109 0.000 2.404 391 L HA 0.823 5.163 4.340 0.001 0.000 0.272 391 L C 0.111 176.917 176.870 -0.106 0.000 0.980 391 L CA -0.611 54.120 54.840 -0.182 0.000 0.836 391 L CB 1.974 43.874 42.059 -0.265 0.000 1.238 391 L HN 0.275 nan 8.230 nan 0.000 0.408 392 S N 6.411 122.070 115.700 -0.069 0.000 2.439 392 S HA 0.711 5.182 4.470 0.001 0.000 0.282 392 S C -0.156 174.481 174.600 0.062 0.000 1.170 392 S CA -0.563 57.643 58.200 0.009 0.000 1.054 392 S CB 0.017 63.235 63.200 0.030 0.000 0.956 392 S HN 0.618 nan 8.310 nan 0.000 0.490 393 M N 3.927 123.576 119.600 0.082 0.000 2.796 393 M HA 0.496 4.976 4.480 0.001 0.000 0.303 393 M C -0.336 176.068 176.300 0.173 0.000 1.240 393 M CA -0.752 54.640 55.300 0.152 0.000 0.831 393 M CB 1.705 34.392 32.600 0.145 0.000 1.750 393 M HN 0.721 nan 8.290 nan 0.000 0.484 394 N N 0.899 119.729 118.700 0.217 0.000 2.478 394 N HA 0.455 5.195 4.740 0.001 0.000 0.291 394 N C -2.220 173.321 175.510 0.051 0.000 1.090 394 N CA -0.268 52.844 53.050 0.103 0.000 0.911 394 N CB 2.549 41.060 38.487 0.040 0.000 1.546 394 N HN 0.746 nan 8.380 nan 0.000 0.500 395 I N 3.714 124.222 120.570 -0.104 0.000 2.412 395 I HA 0.472 4.642 4.170 0.001 0.000 0.296 395 I C -0.640 175.347 176.117 -0.216 0.000 0.987 395 I CA -0.720 60.384 61.300 -0.327 0.000 1.180 395 I CB 1.512 39.112 38.000 -0.667 0.000 1.340 395 I HN 0.290 nan 8.210 nan 0.000 0.455 396 V N 3.807 123.599 119.914 -0.204 0.000 2.581 396 V HA 0.645 4.765 4.120 0.001 0.000 0.303 396 V C -0.796 175.217 176.094 -0.135 0.000 1.041 396 V CA -0.588 61.618 62.300 -0.155 0.000 0.907 396 V CB 1.474 33.210 31.823 -0.146 0.000 0.994 396 V HN 0.839 nan 8.190 nan 0.000 0.442 397 Q N 3.204 122.944 119.800 -0.099 0.000 2.310 397 Q HA 0.781 5.121 4.340 0.001 0.000 0.270 397 Q C -1.823 174.160 176.000 -0.028 0.000 1.025 397 Q CA -0.264 55.500 55.803 -0.066 0.000 0.772 397 Q CB 1.708 30.406 28.738 -0.067 0.000 1.253 397 Q HN 0.880 nan 8.270 nan 0.000 0.450 398 L N 5.403 126.623 121.223 -0.004 0.000 2.370 398 L HA 0.693 5.033 4.340 0.001 0.000 0.266 398 L C -2.231 174.662 176.870 0.039 0.000 1.002 398 L CA -1.898 52.956 54.840 0.023 0.000 0.818 398 L CB 1.798 43.875 42.059 0.030 0.000 1.325 398 L HN 0.646 nan 8.230 nan 0.000 0.418 399 P HA 0.085 nan 4.420 nan 0.000 0.262 399 P C 0.687 178.022 177.300 0.058 0.000 1.182 399 P CA 0.749 63.876 63.100 0.046 0.000 0.761 399 P CB 0.646 32.375 31.700 0.047 0.000 0.795 400 G N 1.664 110.492 108.800 0.047 0.000 2.136 400 G HA2 -0.257 3.703 3.960 0.001 0.000 0.242 400 G HA3 -0.257 3.703 3.960 0.001 0.000 0.242 400 G C -0.152 174.788 174.900 0.068 0.000 0.989 400 G CA 0.292 45.420 45.100 0.045 0.000 0.682 400 G HN 0.636 nan 8.290 nan 0.000 0.522 401 M N 0.034 119.684 119.600 0.083 0.000 2.550 401 M HA 0.611 5.091 4.480 0.001 0.000 0.292 401 M C 0.733 177.082 176.300 0.081 0.000 1.221 401 M CA -0.091 55.284 55.300 0.126 0.000 0.873 401 M CB 1.662 34.372 32.600 0.183 0.000 1.727 401 M HN 0.333 nan 8.290 nan 0.000 0.459 402 G N 0.865 109.725 108.800 0.100 0.000 2.634 402 G HA2 0.484 4.444 3.960 0.001 0.000 0.255 402 G HA3 0.484 4.444 3.960 0.001 0.000 0.255 402 G C 0.006 174.907 174.900 0.001 0.000 1.205 402 G CA -0.390 44.741 45.100 0.051 0.000 0.884 402 G HN 0.879 nan 8.290 nan 0.000 0.549 403 G N -1.736 107.028 108.800 -0.061 0.000 2.491 403 G HA2 0.421 4.381 3.960 0.001 0.000 0.238 403 G HA3 0.421 4.381 3.960 0.001 0.000 0.238 403 G C -0.573 174.214 174.900 -0.188 0.000 1.277 403 G CA -0.121 44.887 45.100 -0.154 0.000 0.851 403 G HN 0.685 nan 8.290 nan 0.000 0.573 404 V N 2.643 122.420 119.914 -0.227 0.000 2.483 404 V HA 0.328 4.449 4.120 0.001 0.000 0.297 404 V C -0.648 175.298 176.094 -0.247 0.000 1.027 404 V CA -0.765 61.431 62.300 -0.173 0.000 0.855 404 V CB 1.266 33.041 31.823 -0.081 0.000 0.995 404 V HN 0.569 nan 8.190 nan 0.000 0.424 405 F N 3.885 123.816 119.950 -0.032 0.000 2.443 405 F HA 0.466 4.993 4.527 0.001 0.000 0.353 405 F C 1.124 176.901 175.800 -0.039 0.000 1.101 405 F CA -0.167 57.815 58.000 -0.029 0.000 1.226 405 F CB 0.726 39.717 39.000 -0.015 0.000 1.140 405 F HN 0.278 nan 8.300 nan 0.000 0.557 406 R N 5.056 125.636 120.500 0.134 0.000 2.239 406 R HA 0.485 4.825 4.340 0.001 0.000 0.332 406 R C -1.049 175.283 176.300 0.053 0.000 0.988 406 R CA -0.440 55.685 56.100 0.042 0.000 0.859 406 R CB 0.945 31.233 30.300 -0.020 0.000 1.148 406 R HN 0.573 nan 8.270 nan 0.000 0.482 407 I N 2.047 122.625 120.570 0.014 0.000 2.339 407 I HA 0.413 4.584 4.170 0.001 0.000 0.290 407 I C 0.151 176.175 176.117 -0.155 0.000 0.994 407 I CA -0.487 60.778 61.300 -0.059 0.000 1.191 407 I CB 1.828 39.788 38.000 -0.068 0.000 1.343 407 I HN 0.599 nan 8.210 nan 0.000 0.458 408 A N 7.806 130.509 122.820 -0.195 0.000 3.158 408 A HA 0.594 4.915 4.320 0.001 0.000 0.302 408 A C -2.819 174.628 177.584 -0.229 0.000 1.162 408 A CA -1.153 50.768 52.037 -0.193 0.000 0.824 408 A CB 0.180 19.116 19.000 -0.107 0.000 1.322 408 A HN 0.336 nan 8.150 nan 0.000 0.510 409 P HA 0.373 nan 4.420 nan 0.000 0.274 409 P C -2.691 174.500 177.300 -0.181 0.000 1.246 409 P CA -1.223 61.679 63.100 -0.330 0.000 0.795 409 P CB -0.047 31.311 31.700 -0.570 0.000 1.006 410 P HA 0.064 nan 4.420 nan 0.000 0.268 410 P C 0.802 178.055 177.300 -0.078 0.000 1.208 410 P CA 0.318 63.365 63.100 -0.088 0.000 0.777 410 P CB 0.197 31.861 31.700 -0.060 0.000 0.875 411 L N 1.099 122.283 121.223 -0.065 0.000 2.376 411 L HA -0.080 4.260 4.340 0.001 0.000 0.219 411 L C 1.718 178.571 176.870 -0.028 0.000 1.133 411 L CA 1.518 56.324 54.840 -0.056 0.000 0.816 411 L CB -1.264 40.760 42.059 -0.058 0.000 0.933 411 L HN 0.462 nan 8.230 nan 0.000 0.449 412 T N -3.246 111.305 114.554 -0.005 0.000 3.169 412 T HA 0.105 4.455 4.350 0.001 0.000 0.250 412 T C 0.699 175.415 174.700 0.027 0.000 1.111 412 T CA -0.252 61.864 62.100 0.028 0.000 1.010 412 T CB -0.329 68.582 68.868 0.072 0.000 0.984 412 T HN 0.036 nan 8.240 nan 0.000 0.537 413 V N 3.555 123.471 119.914 0.003 0.000 2.901 413 V HA 0.353 4.473 4.120 0.001 0.000 0.307 413 V C 0.630 176.743 176.094 0.032 0.000 1.084 413 V CA -0.108 62.201 62.300 0.014 0.000 1.184 413 V CB 0.756 32.568 31.823 -0.018 0.000 0.941 413 V HN 0.797 nan 8.190 nan 0.000 0.493 414 S N 3.470 119.205 115.700 0.058 0.000 2.713 414 S HA 0.419 4.889 4.470 0.001 0.000 0.283 414 S C 0.756 175.391 174.600 0.059 0.000 1.161 414 S CA -0.109 58.126 58.200 0.059 0.000 0.999 414 S CB 1.390 64.636 63.200 0.076 0.000 1.039 414 S HN 0.777 nan 8.310 nan 0.000 0.548 415 E N 0.479 120.708 120.200 0.049 0.000 2.077 415 E HA -0.147 4.204 4.350 0.001 0.000 0.193 415 E C 1.131 177.766 176.600 0.058 0.000 0.989 415 E CA 1.633 58.060 56.400 0.046 0.000 0.800 415 E CB -0.112 29.608 29.700 0.035 0.000 0.746 415 E HN 0.648 nan 8.360 nan 0.000 0.452 416 D N 0.373 120.811 120.400 0.063 0.000 2.144 416 D HA -0.147 4.493 4.640 0.001 0.000 0.199 416 D C 1.624 177.976 176.300 0.087 0.000 0.984 416 D CA 0.977 55.018 54.000 0.069 0.000 0.834 416 D CB -0.080 40.764 40.800 0.074 0.000 0.955 416 D HN 0.266 nan 8.370 nan 0.000 0.465 417 E N -0.007 120.256 120.200 0.105 0.000 2.107 417 E HA -0.088 4.262 4.350 0.001 0.000 0.191 417 E C 2.148 178.825 176.600 0.129 0.000 0.982 417 E CA 0.235 56.699 56.400 0.107 0.000 0.809 417 E CB 0.174 29.931 29.700 0.095 0.000 0.756 417 E HN 0.189 nan 8.360 nan 0.000 0.459 418 I N 1.926 122.589 120.570 0.155 0.000 2.226 418 I HA -0.239 3.931 4.170 0.001 0.000 0.245 418 I C 1.613 177.820 176.117 0.150 0.000 1.100 418 I CA 1.440 62.871 61.300 0.218 0.000 1.374 418 I CB -0.865 37.202 38.000 0.112 0.000 1.057 418 I HN 0.094 nan 8.210 nan 0.000 0.413 419 D N 0.517 120.966 120.400 0.082 0.000 2.144 419 D HA -0.147 4.494 4.640 0.001 0.000 0.200 419 D C 2.142 178.452 176.300 0.017 0.000 0.978 419 D CA 0.750 54.779 54.000 0.049 0.000 0.833 419 D CB -0.285 40.539 40.800 0.039 0.000 0.961 419 D HN 0.200 nan 8.370 nan 0.000 0.470 420 L N 0.952 122.179 121.223 0.007 0.000 2.046 420 L HA 0.021 4.362 4.340 0.001 0.000 0.208 420 L C 2.160 178.947 176.870 -0.139 0.000 1.077 420 L CA 2.086 56.905 54.840 -0.035 0.000 0.747 420 L CB -0.953 41.107 42.059 0.002 0.000 0.896 420 L HN 0.045 nan 8.230 nan 0.000 0.432 421 G N -0.299 108.351 108.800 -0.249 0.000 2.440 421 G HA2 -0.253 3.707 3.960 0.001 0.000 0.218 421 G HA3 -0.253 3.707 3.960 0.001 0.000 0.218 421 G C 1.521 176.274 174.900 -0.244 0.000 1.154 421 G CA 0.927 45.683 45.100 -0.572 0.000 0.767 421 G HN 0.347 nan 8.290 nan 0.000 0.552 422 L N 1.039 122.236 121.223 -0.043 0.000 2.083 422 L HA -0.001 4.340 4.340 0.001 0.000 0.209 422 L C 3.036 179.891 176.870 -0.024 0.000 1.083 422 L CA 1.935 56.779 54.840 0.006 0.000 0.752 422 L CB -0.961 41.127 42.059 0.047 0.000 0.899 422 L HN 0.322 nan 8.230 nan 0.000 0.433 423 S N -0.995 114.684 115.700 -0.035 0.000 2.345 423 S HA -0.116 4.354 4.470 0.001 0.000 0.220 423 S C 2.079 176.649 174.600 -0.050 0.000 1.031 423 S CA 0.996 59.181 58.200 -0.025 0.000 0.996 423 S CB -0.139 63.049 63.200 -0.019 0.000 0.882 423 S HN 0.395 nan 8.310 nan 0.000 0.445 424 L N 1.283 122.448 121.223 -0.096 0.000 2.079 424 L HA -0.090 4.250 4.340 0.001 0.000 0.210 424 L C 2.594 179.386 176.870 -0.131 0.000 1.081 424 L CA 1.092 55.863 54.840 -0.115 0.000 0.752 424 L CB -0.621 41.342 42.059 -0.160 0.000 0.896 424 L HN 0.379 nan 8.230 nan 0.000 0.433 425 L N 0.029 121.159 121.223 -0.155 0.000 2.017 425 L HA -0.161 4.179 4.340 0.001 0.000 0.208 425 L C 2.509 179.290 176.870 -0.148 0.000 1.073 425 L CA 1.905 56.635 54.840 -0.183 0.000 0.745 425 L CB -0.831 41.123 42.059 -0.175 0.000 0.894 425 L HN 0.327 nan 8.230 nan 0.000 0.432 426 G N -0.990 107.777 108.800 -0.055 0.000 2.440 426 G HA2 -0.307 3.653 3.960 0.001 0.000 0.218 426 G HA3 -0.307 3.653 3.960 0.001 0.000 0.218 426 G C 1.379 176.277 174.900 -0.003 0.000 1.154 426 G CA 0.637 45.761 45.100 0.041 0.000 0.767 426 G HN 0.496 nan 8.290 nan 0.000 0.552 427 Q N 0.102 119.891 119.800 -0.018 0.000 2.167 427 Q HA 0.065 4.406 4.340 0.001 0.000 0.202 427 Q C 2.965 178.924 176.000 -0.069 0.000 0.970 427 Q CA 1.041 56.831 55.803 -0.021 0.000 0.855 427 Q CB -0.204 28.520 28.738 -0.024 0.000 0.911 427 Q HN 0.501 nan 8.270 nan 0.000 0.438 428 A N 0.792 123.545 122.820 -0.112 0.000 1.930 428 A HA -0.126 4.194 4.320 0.001 0.000 0.217 428 A C 2.000 179.484 177.584 -0.166 0.000 1.175 428 A CA 0.911 52.873 52.037 -0.125 0.000 0.627 428 A CB -0.432 18.482 19.000 -0.143 0.000 0.815 428 A HN 0.271 nan 8.150 nan 0.000 0.443 429 I N -0.616 119.787 120.570 -0.278 0.000 2.252 429 I HA -0.231 3.940 4.170 0.001 0.000 0.245 429 I C 2.484 178.372 176.117 -0.382 0.000 1.102 429 I CA 1.415 62.450 61.300 -0.441 0.000 1.385 429 I CB -0.404 37.060 38.000 -0.894 0.000 1.064 429 I HN 0.406 nan 8.210 nan 0.000 0.414 430 E N 0.933 120.974 120.200 -0.265 0.000 2.058 430 E HA -0.262 4.088 4.350 0.001 0.000 0.194 430 E C 2.183 178.768 176.600 -0.026 0.000 0.997 430 E CA 1.519 57.904 56.400 -0.026 0.000 0.801 430 E CB -0.108 29.650 29.700 0.097 0.000 0.746 430 E HN 0.533 nan 8.360 nan 0.000 0.450 431 R N 0.045 120.519 120.500 -0.045 0.000 2.275 431 R HA 0.187 4.527 4.340 0.001 0.000 0.199 431 R C 1.937 178.216 176.300 -0.034 0.000 0.989 431 R CA 0.845 56.928 56.100 -0.028 0.000 1.016 431 R CB 0.072 30.358 30.300 -0.023 0.000 0.918 431 R HN 0.015 nan 8.270 nan 0.000 0.473 432 A N 1.722 124.507 122.820 -0.058 0.000 2.072 432 A HA 0.198 4.519 4.320 0.001 0.000 0.216 432 A C 1.233 178.797 177.584 -0.032 0.000 1.156 432 A CA 0.122 52.132 52.037 -0.044 0.000 0.701 432 A CB -0.094 18.875 19.000 -0.051 0.000 0.816 432 A HN 0.168 nan 8.150 nan 0.000 0.458 433 L N 0.000 121.201 121.223 -0.037 0.000 2.949 433 L HA 0.000 4.340 4.340 0.001 0.000 0.249 433 L CA 0.000 54.834 54.840 -0.009 0.000 0.813 433 L CB 0.000 42.066 42.059 0.011 0.000 0.961 433 L HN 0.000 nan 8.230 nan 0.000 0.502