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 1t2b_1_B DATA FIRST_RESID 8 DATA SEQUENCE TSLFTTADHY HTPLGPDGTP HAFFEALRDE AETTPIGWSE AYGGHWVVAG DATA SEQUENCE YKEIQAVIQN TKAFSNKGVT FPRYETGEFE LMMAGQDDPV HKKYRQLVAK DATA SEQUENCE PFSPEATDLF TEQLRQSTND LIDARIELGE GDAATWLANE IPARLTAILL DATA SEQUENCE GLPPEDGDTY RRWVWAITHV ENPEEGAEIF AELVAHARTL IAERRTNPGN DATA SEQUENCE DIMSRVIMSK IDGESLSEDD LIGFFTILLL GGIDNTARFL SSVFWRLAWD DATA SEQUENCE IELRRRLIAH PELIPNAVDE LLRFYGPAMV GRLVTQEVTV GDITMKPGQT DATA SEQUENCE AMLWFPIASR DRSAFDSPDN IVIERTPNRH LSLGHGIHRC LGAHLIRVEA DATA SEQUENCE RVAITEFLKR IPEFSLDPNK ECEWLMGQVA GMLHVPIIFP KGKRLSE 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 8 T HA 0.000 nan 4.350 nan 0.000 0.228 8 T C 0.000 174.745 174.700 0.075 0.000 1.109 8 T CA 0.000 62.135 62.100 0.058 0.000 1.349 8 T CB 0.000 68.897 68.868 0.049 0.000 0.612 9 S N 0.496 116.251 115.700 0.093 0.000 2.548 9 S HA 0.581 5.051 4.470 -0.001 0.000 0.276 9 S C 0.753 175.414 174.600 0.101 0.000 1.129 9 S CA -0.717 57.559 58.200 0.126 0.000 0.931 9 S CB 1.178 64.500 63.200 0.202 0.000 1.068 9 S HN 0.358 nan 8.310 nan 0.000 0.480 10 L N 3.823 125.056 121.223 0.017 0.000 2.465 10 L HA 0.099 4.438 4.340 -0.001 0.000 0.224 10 L C 1.286 178.104 176.870 -0.087 0.000 1.145 10 L CA 0.829 55.658 54.840 -0.019 0.000 0.834 10 L CB -0.419 41.586 42.059 -0.090 0.000 0.944 10 L HN 0.690 nan 8.230 nan 0.000 0.451 11 F N -0.654 119.289 119.950 -0.012 0.000 2.259 11 F HA -0.183 4.343 4.527 -0.001 0.000 0.298 11 F C 2.777 178.548 175.800 -0.048 0.000 1.088 11 F CA 1.413 59.368 58.000 -0.074 0.000 1.358 11 F CB -0.629 38.334 39.000 -0.062 0.000 1.040 11 F HN -0.036 nan 8.300 nan 0.000 0.505 12 T N -0.884 113.783 114.554 0.188 0.000 2.778 12 T HA -0.190 4.159 4.350 -0.001 0.000 0.269 12 T C 1.671 176.406 174.700 0.058 0.000 1.050 12 T CA 2.033 64.203 62.100 0.116 0.000 1.137 12 T CB -0.386 68.549 68.868 0.113 0.000 0.860 12 T HN 0.375 nan 8.240 nan 0.000 0.468 13 T N -1.283 113.311 114.554 0.067 0.000 3.182 13 T HA 0.698 5.047 4.350 -0.001 0.000 0.277 13 T C 0.369 175.134 174.700 0.110 0.000 1.013 13 T CA 0.090 62.221 62.100 0.052 0.000 0.900 13 T CB 0.152 69.036 68.868 0.027 0.000 1.098 13 T HN 0.354 nan 8.240 nan 0.000 0.543 14 A N 1.746 124.648 122.820 0.137 0.000 2.546 14 A HA 0.451 4.770 4.320 -0.001 0.000 0.243 14 A C 0.094 177.967 177.584 0.483 0.000 1.063 14 A CA 0.008 52.200 52.037 0.258 0.000 0.757 14 A CB -0.066 18.892 19.000 -0.069 0.000 0.991 14 A HN 0.487 nan 8.150 nan 0.000 0.503 15 D N 1.048 121.866 120.400 0.696 0.000 2.613 15 D HA 0.104 4.744 4.640 -0.001 0.000 0.230 15 D C 0.878 177.590 176.300 0.687 0.000 1.365 15 D CA -0.410 54.007 54.000 0.695 0.000 0.976 15 D CB 0.501 41.517 40.800 0.360 0.000 1.415 15 D HN 0.663 nan 8.370 nan 0.000 0.589 16 H N 2.485 121.913 119.070 0.596 0.000 2.518 16 H HA -0.106 4.449 4.556 -0.001 0.000 0.289 16 H C 0.304 175.691 175.328 0.099 0.000 1.051 16 H CA 0.826 56.956 56.048 0.136 0.000 1.280 16 H CB -0.138 29.492 29.762 -0.220 0.000 1.380 16 H HN 0.415 nan 8.280 nan 0.000 0.566 17 Y N 0.822 121.022 120.300 -0.167 0.000 2.482 17 Y HA 0.123 4.672 4.550 -0.002 0.000 0.270 17 Y C 0.519 176.099 175.900 -0.533 0.000 1.152 17 Y CA 0.140 58.061 58.100 -0.298 0.000 1.292 17 Y CB 0.525 38.761 38.460 -0.374 0.000 1.070 17 Y HN 0.310 nan 8.280 nan 0.000 0.528 18 H N -0.290 118.905 119.070 0.207 0.000 2.490 18 H HA 0.217 4.772 4.556 -0.002 0.000 0.230 18 H C -0.290 175.062 175.328 0.040 0.000 1.417 18 H CA -0.297 55.814 56.048 0.105 0.000 1.449 18 H CB 0.267 30.060 29.762 0.052 0.000 1.649 18 H HN 0.023 nan 8.280 nan 0.000 0.519 19 T N -0.180 114.431 114.554 0.096 0.000 2.743 19 T HA 0.349 4.698 4.350 -0.001 0.000 0.293 19 T C -2.618 171.940 174.700 -0.235 0.000 0.945 19 T CA -2.060 60.006 62.100 -0.056 0.000 1.030 19 T CB 1.742 70.720 68.868 0.183 0.000 0.912 19 T HN 0.023 nan 8.240 nan 0.000 0.483 20 P HA 0.182 nan 4.420 nan 0.000 0.264 20 P C -0.551 176.614 177.300 -0.225 0.000 1.193 20 P CA -0.168 62.743 63.100 -0.314 0.000 0.763 20 P CB 0.369 31.845 31.700 -0.374 0.000 0.810 21 L N 2.669 123.784 121.223 -0.181 0.000 2.309 21 L HA 0.544 4.884 4.340 -0.001 0.000 0.282 21 L C 1.326 178.104 176.870 -0.153 0.000 1.036 21 L CA -0.514 54.190 54.840 -0.226 0.000 0.806 21 L CB 1.321 43.247 42.059 -0.221 0.000 1.220 21 L HN 0.438 nan 8.230 nan 0.000 0.429 22 G N 1.644 110.345 108.800 -0.164 0.000 2.563 22 G HA2 0.301 4.261 3.960 -0.001 0.000 0.283 22 G HA3 0.301 4.261 3.960 -0.001 0.000 0.283 22 G C -1.514 173.337 174.900 -0.082 0.000 1.309 22 G CA -0.726 44.319 45.100 -0.091 0.000 1.022 22 G HN 0.540 nan 8.290 nan 0.000 0.501 23 P HA -0.056 nan 4.420 nan 0.000 0.226 23 P C 0.673 177.950 177.300 -0.039 0.000 1.153 23 P CA 1.262 64.338 63.100 -0.039 0.000 0.777 23 P CB 0.163 31.846 31.700 -0.029 0.000 0.794 24 D N -0.987 119.388 120.400 -0.041 0.000 2.355 24 D HA 0.032 4.671 4.640 -0.001 0.000 0.218 24 D C 1.491 177.800 176.300 0.015 0.000 1.004 24 D CA 0.854 54.859 54.000 0.008 0.000 0.880 24 D CB -0.774 40.055 40.800 0.049 0.000 0.911 24 D HN 0.269 nan 8.370 nan 0.000 0.528 25 G N 0.225 108.957 108.800 -0.114 0.000 2.175 25 G HA2 -0.235 3.724 3.960 -0.001 0.000 0.244 25 G HA3 -0.235 3.724 3.960 -0.001 0.000 0.244 25 G C 0.420 175.043 174.900 -0.462 0.000 0.982 25 G CA 0.576 45.557 45.100 -0.199 0.000 0.641 25 G HN 0.829 nan 8.290 nan 0.000 0.527 26 T N -2.749 111.433 114.554 -0.621 0.000 2.927 26 T HA 0.798 5.147 4.350 -0.001 0.000 0.286 26 T C -2.066 172.040 174.700 -0.990 0.000 1.040 26 T CA -1.061 60.312 62.100 -1.211 0.000 1.010 26 T CB 3.195 71.309 68.868 -1.257 0.000 1.177 26 T HN -0.036 nan 8.240 nan 0.000 0.546 27 P HA 0.196 nan 4.420 nan 0.000 0.261 27 P C 0.724 177.598 177.300 -0.711 0.000 1.352 27 P CA 0.144 62.737 63.100 -0.845 0.000 0.891 27 P CB -0.378 30.742 31.700 -0.967 0.000 1.383 28 H N 0.262 118.969 119.070 -0.605 0.000 2.421 28 H HA -0.032 4.524 4.556 -0.001 0.000 0.298 28 H C 2.133 177.403 175.328 -0.097 0.000 1.087 28 H CA 0.828 56.689 56.048 -0.311 0.000 1.330 28 H CB 0.022 29.701 29.762 -0.137 0.000 1.388 28 H HN 0.165 nan 8.280 nan 0.000 0.526 29 A N 1.256 124.109 122.820 0.055 0.000 1.902 29 A HA -0.204 4.116 4.320 -0.001 0.000 0.217 29 A C 2.098 179.751 177.584 0.115 0.000 1.181 29 A CA 1.344 53.430 52.037 0.080 0.000 0.623 29 A CB -0.799 18.235 19.000 0.056 0.000 0.818 29 A HN 0.455 nan 8.150 nan 0.000 0.443 30 F N -0.047 119.889 119.950 -0.023 0.000 2.134 30 F HA -0.104 4.422 4.527 -0.001 0.000 0.299 30 F C 1.982 177.918 175.800 0.227 0.000 1.097 30 F CA 1.205 59.239 58.000 0.056 0.000 1.264 30 F CB -0.560 38.451 39.000 0.019 0.000 1.001 30 F HN 0.278 nan 8.300 nan 0.000 0.479 31 F N 0.656 120.501 119.950 -0.176 0.000 2.171 31 F HA -0.209 4.318 4.527 -0.000 0.000 0.300 31 F C 2.369 178.036 175.800 -0.221 0.000 1.090 31 F CA 1.119 58.973 58.000 -0.242 0.000 1.293 31 F CB -0.453 38.496 39.000 -0.086 0.000 1.013 31 F HN 0.068 nan 8.300 nan 0.000 0.486 32 E N 0.491 120.728 120.200 0.062 0.000 2.106 32 E HA -0.172 4.178 4.350 -0.001 0.000 0.192 32 E C 2.303 178.886 176.600 -0.028 0.000 0.984 32 E CA 0.919 57.328 56.400 0.014 0.000 0.806 32 E CB -0.192 29.536 29.700 0.046 0.000 0.750 32 E HN 0.348 nan 8.360 nan 0.000 0.458 33 A N 0.991 123.783 122.820 -0.048 0.000 1.898 33 A HA -0.149 4.170 4.320 -0.001 0.000 0.216 33 A C 2.129 179.622 177.584 -0.152 0.000 1.181 33 A CA 0.952 52.951 52.037 -0.062 0.000 0.620 33 A CB -0.464 18.529 19.000 -0.011 0.000 0.819 33 A HN 0.226 nan 8.150 nan 0.000 0.442 34 L N -0.211 120.826 121.223 -0.310 0.000 2.093 34 L HA -0.081 4.258 4.340 -0.001 0.000 0.208 34 L C 2.418 179.128 176.870 -0.266 0.000 1.085 34 L CA 1.943 56.522 54.840 -0.436 0.000 0.755 34 L CB -0.630 41.002 42.059 -0.713 0.000 0.904 34 L HN 0.410 nan 8.230 nan 0.000 0.435 35 R N -0.038 120.366 120.500 -0.160 0.000 2.081 35 R HA -0.169 4.170 4.340 -0.001 0.000 0.235 35 R C 1.724 178.007 176.300 -0.029 0.000 1.131 35 R CA 1.952 58.012 56.100 -0.066 0.000 0.960 35 R CB -0.714 29.567 30.300 -0.032 0.000 0.856 35 R HN 0.407 nan 8.270 nan 0.000 0.436 36 D N 0.602 120.983 120.400 -0.032 0.000 2.104 36 D HA -0.184 4.455 4.640 -0.001 0.000 0.194 36 D C 1.772 178.075 176.300 0.004 0.000 0.994 36 D CA 1.299 55.296 54.000 -0.005 0.000 0.830 36 D CB -0.239 40.560 40.800 -0.002 0.000 0.959 36 D HN 0.473 nan 8.370 nan 0.000 0.452 37 E N 0.332 120.519 120.200 -0.022 0.000 2.106 37 E HA -0.118 4.231 4.350 -0.001 0.000 0.192 37 E C 1.911 178.571 176.600 0.100 0.000 0.984 37 E CA 0.858 57.273 56.400 0.025 0.000 0.806 37 E CB -0.015 29.674 29.700 -0.019 0.000 0.750 37 E HN 0.158 nan 8.360 nan 0.000 0.458 38 A N 1.020 123.893 122.820 0.087 0.000 2.131 38 A HA -0.208 4.111 4.320 -0.001 0.000 0.220 38 A C 1.706 179.353 177.584 0.105 0.000 1.158 38 A CA 1.337 53.474 52.037 0.167 0.000 0.665 38 A CB -0.458 18.624 19.000 0.137 0.000 0.795 38 A HN 0.344 nan 8.150 nan 0.000 0.460 39 E N -1.080 119.162 120.200 0.070 0.000 2.268 39 E HA -0.094 4.256 4.350 -0.001 0.000 0.195 39 E C 1.513 178.142 176.600 0.048 0.000 0.995 39 E CA 1.431 57.862 56.400 0.052 0.000 0.836 39 E CB -0.069 29.654 29.700 0.039 0.000 0.763 39 E HN 0.622 nan 8.360 nan 0.000 0.491 40 T N -0.560 114.030 114.554 0.060 0.000 3.046 40 T HA 0.038 4.387 4.350 -0.001 0.000 0.242 40 T C 0.671 175.401 174.700 0.049 0.000 1.018 40 T CA 0.517 62.647 62.100 0.050 0.000 1.131 40 T CB 0.599 69.499 68.868 0.052 0.000 0.904 40 T HN -0.082 nan 8.240 nan 0.000 0.459 41 T N 3.647 118.254 114.554 0.088 0.000 3.068 41 T HA 0.267 4.616 4.350 -0.001 0.000 0.364 41 T C -2.112 172.631 174.700 0.071 0.000 1.161 41 T CA -1.116 61.014 62.100 0.049 0.000 1.155 41 T CB 2.014 70.927 68.868 0.075 0.000 1.060 41 T HN 0.056 nan 8.240 nan 0.000 0.513 42 P HA 0.142 nan 4.420 nan 0.000 0.229 42 P C 0.051 177.317 177.300 -0.057 0.000 1.160 42 P CA 0.463 63.593 63.100 0.049 0.000 0.777 42 P CB 0.670 32.384 31.700 0.023 0.000 0.814 43 I N -0.695 119.699 120.570 -0.293 0.000 2.569 43 I HA 0.574 4.743 4.170 -0.001 0.000 0.290 43 I C 0.007 175.722 176.117 -0.671 0.000 1.088 43 I CA -0.831 60.238 61.300 -0.385 0.000 1.047 43 I CB 2.441 40.304 38.000 -0.228 0.000 1.237 43 I HN -0.156 nan 8.210 nan 0.000 0.421 44 G N 4.533 112.803 108.800 -0.882 0.000 2.660 44 G HA2 0.346 4.305 3.960 -0.001 0.000 0.294 44 G HA3 0.346 4.305 3.960 -0.001 0.000 0.294 44 G C -2.169 172.764 174.900 0.055 0.000 1.369 44 G CA -0.488 44.245 45.100 -0.612 0.000 0.912 44 G HN 0.595 nan 8.290 nan 0.000 0.479 45 W N 2.173 123.415 121.300 -0.097 0.000 2.322 45 W HA 0.571 5.230 4.660 -0.001 0.000 0.307 45 W C -0.262 176.137 176.519 -0.200 0.000 1.220 45 W CA -0.497 56.642 57.345 -0.344 0.000 1.210 45 W CB 1.732 30.890 29.460 -0.504 0.000 1.223 45 W HN 0.472 nan 8.180 nan 0.000 0.511 46 S N 3.831 119.098 115.700 -0.722 0.000 2.489 46 S HA 0.131 4.600 4.470 -0.001 0.000 0.291 46 S C 0.848 175.075 174.600 -0.622 0.000 1.151 46 S CA -0.414 57.489 58.200 -0.495 0.000 1.082 46 S CB 1.441 64.371 63.200 -0.450 0.000 1.019 46 S HN 0.576 nan 8.310 nan 0.000 0.492 47 E N 2.357 122.425 120.200 -0.219 0.000 2.347 47 E HA 0.104 4.453 4.350 -0.001 0.000 0.196 47 E C 0.997 177.551 176.600 -0.076 0.000 1.008 47 E CA 0.324 56.666 56.400 -0.097 0.000 0.852 47 E CB -0.351 29.353 29.700 0.007 0.000 0.783 47 E HN 0.699 nan 8.360 nan 0.000 0.505 48 A N 0.145 122.932 122.820 -0.054 0.000 2.466 48 A HA 0.088 4.407 4.320 -0.001 0.000 0.238 48 A C -0.327 177.252 177.584 -0.010 0.000 1.074 48 A CA -0.089 51.868 52.037 -0.133 0.000 0.774 48 A CB -0.372 18.530 19.000 -0.163 0.000 1.015 48 A HN 0.386 nan 8.150 nan 0.000 0.498 49 Y N -0.544 119.770 120.300 0.024 0.000 3.825 49 Y HA -0.253 4.296 4.550 -0.001 0.000 0.221 49 Y C 1.625 177.558 175.900 0.056 0.000 1.195 49 Y CA 1.200 59.270 58.100 -0.050 0.000 1.699 49 Y CB -1.678 36.652 38.460 -0.217 0.000 1.531 49 Y HN 2.108 nan 8.280 nan 0.000 0.640 50 G N -1.528 107.338 108.800 0.110 0.000 2.159 50 G HA2 0.146 4.106 3.960 -0.001 0.000 0.256 50 G HA3 0.146 4.106 3.960 -0.001 0.000 0.256 50 G C 0.613 175.596 174.900 0.139 0.000 0.977 50 G CA 0.593 45.767 45.100 0.124 0.000 0.652 50 G HN 2.102 nan 8.290 nan 0.000 0.531 51 G N -0.303 108.518 108.800 0.035 0.000 3.225 51 G HA2 0.563 4.522 3.960 -0.001 0.000 0.686 51 G HA3 0.563 4.522 3.960 -0.001 0.000 0.686 51 G C -0.636 173.808 174.900 -0.761 0.000 1.105 51 G CA 0.407 45.258 45.100 -0.414 0.000 0.831 51 G HN 2.727 nan 8.290 nan 0.000 0.578 52 H N -0.719 117.351 119.070 -1.666 0.000 2.967 52 H HA 0.561 5.116 4.556 -0.002 0.000 0.318 52 H C -1.300 173.430 175.328 -0.997 0.000 1.375 52 H CA -1.600 53.788 56.048 -1.100 0.000 1.132 52 H CB 0.477 30.005 29.762 -0.389 0.000 1.848 52 H HN 0.608 nan 8.280 nan 0.000 0.524 53 W N 1.037 122.201 121.300 -0.226 0.000 2.315 53 W HA 0.519 5.178 4.660 -0.001 0.000 0.316 53 W C -0.244 176.203 176.519 -0.121 0.000 1.211 53 W CA -0.775 56.507 57.345 -0.105 0.000 1.201 53 W CB 1.538 31.043 29.460 0.073 0.000 1.184 53 W HN 0.250 nan 8.180 nan 0.000 0.544 54 V N 4.644 124.623 119.914 0.109 0.000 2.334 54 V HA 0.242 4.361 4.120 -0.001 0.000 0.281 54 V C -0.381 175.752 176.094 0.065 0.000 1.016 54 V CA -0.967 61.355 62.300 0.036 0.000 0.832 54 V CB 1.087 32.826 31.823 -0.139 0.000 0.999 54 V HN 0.288 nan 8.190 nan 0.000 0.439 55 V N 4.956 124.918 119.914 0.081 0.000 2.333 55 V HA 0.501 4.621 4.120 -0.001 0.000 0.274 55 V C 0.898 177.044 176.094 0.086 0.000 1.028 55 V CA 0.364 62.689 62.300 0.041 0.000 0.851 55 V CB 0.914 32.719 31.823 -0.029 0.000 1.000 55 V HN 0.950 nan 8.190 nan 0.000 0.456 56 A N 3.795 126.687 122.820 0.121 0.000 2.167 56 A HA 0.530 4.849 4.320 -0.001 0.000 0.208 56 A C 1.360 179.018 177.584 0.125 0.000 1.198 56 A CA 0.567 52.681 52.037 0.129 0.000 0.863 56 A CB 0.024 19.091 19.000 0.112 0.000 0.904 56 A HN 0.844 nan 8.150 nan 0.000 0.484 57 G N -1.906 106.961 108.800 0.111 0.000 2.483 57 G HA2 0.291 4.250 3.960 -0.001 0.000 0.248 57 G HA3 0.291 4.250 3.960 -0.001 0.000 0.248 57 G C 0.427 175.415 174.900 0.147 0.000 1.248 57 G CA -0.103 45.070 45.100 0.122 0.000 0.838 57 G HN 0.293 nan 8.290 nan 0.000 0.566 58 Y N 1.734 122.071 120.300 0.061 0.000 2.114 58 Y HA -0.226 4.323 4.550 -0.002 0.000 0.284 58 Y C 2.885 178.796 175.900 0.019 0.000 1.143 58 Y CA 2.580 60.720 58.100 0.066 0.000 1.135 58 Y CB 0.100 38.603 38.460 0.071 0.000 0.980 58 Y HN 0.656 nan 8.280 nan 0.000 0.499 59 K N -0.618 119.908 120.400 0.210 0.000 2.097 59 K HA -0.185 4.134 4.320 -0.001 0.000 0.206 59 K C 1.585 178.171 176.600 -0.023 0.000 1.049 59 K CA 1.860 58.192 56.287 0.075 0.000 0.933 59 K CB -0.333 32.218 32.500 0.085 0.000 0.717 59 K HN 0.233 nan 8.250 nan 0.000 0.442 60 E N 1.351 121.543 120.200 -0.014 0.000 2.072 60 E HA -0.050 4.299 4.350 -0.001 0.000 0.191 60 E C 1.964 178.505 176.600 -0.098 0.000 0.985 60 E CA 1.095 57.463 56.400 -0.053 0.000 0.801 60 E CB -0.196 29.477 29.700 -0.045 0.000 0.750 60 E HN 0.328 nan 8.360 nan 0.000 0.452 61 I N 0.690 121.204 120.570 -0.094 0.000 2.252 61 I HA -0.311 3.858 4.170 -0.001 0.000 0.245 61 I C 2.270 178.300 176.117 -0.144 0.000 1.102 61 I CA 1.199 62.430 61.300 -0.115 0.000 1.385 61 I CB -0.278 37.697 38.000 -0.040 0.000 1.064 61 I HN 0.174 nan 8.210 nan 0.000 0.414 62 Q N 0.561 120.242 119.800 -0.199 0.000 2.096 62 Q HA -0.218 4.121 4.340 -0.001 0.000 0.204 62 Q C 2.456 178.394 176.000 -0.105 0.000 0.982 62 Q CA 1.848 57.537 55.803 -0.191 0.000 0.850 62 Q CB -0.273 28.312 28.738 -0.254 0.000 0.901 62 Q HN 0.577 nan 8.270 nan 0.000 0.422 63 A N 0.228 122.991 122.820 -0.094 0.000 1.902 63 A HA -0.152 4.167 4.320 -0.001 0.000 0.217 63 A C 2.311 179.849 177.584 -0.077 0.000 1.181 63 A CA 1.446 53.448 52.037 -0.057 0.000 0.623 63 A CB -0.661 18.312 19.000 -0.044 0.000 0.818 63 A HN 0.216 nan 8.150 nan 0.000 0.443 64 V N -0.254 119.537 119.914 -0.204 0.000 2.270 64 V HA -0.211 3.908 4.120 -0.001 0.000 0.245 64 V C 2.348 178.245 176.094 -0.328 0.000 1.043 64 V CA 1.854 63.863 62.300 -0.485 0.000 1.014 64 V CB -0.558 30.816 31.823 -0.748 0.000 0.645 64 V HN 0.598 nan 8.190 nan 0.000 0.447 65 I N -0.403 120.055 120.570 -0.188 0.000 2.567 65 I HA -0.268 3.901 4.170 -0.001 0.000 0.257 65 I C 2.409 178.537 176.117 0.017 0.000 1.184 65 I CA 1.355 62.619 61.300 -0.059 0.000 1.451 65 I CB 0.017 38.032 38.000 0.025 0.000 1.089 65 I HN 0.458 nan 8.210 nan 0.000 0.441 66 Q N -0.438 119.374 119.800 0.019 0.000 2.398 66 Q HA -0.022 4.317 4.340 -0.001 0.000 0.204 66 Q C 0.561 176.598 176.000 0.063 0.000 0.932 66 Q CA 0.091 55.924 55.803 0.050 0.000 0.916 66 Q CB 0.078 28.845 28.738 0.048 0.000 1.024 66 Q HN 0.230 nan 8.270 nan 0.000 0.504 67 N N 1.278 120.036 118.700 0.096 0.000 2.602 67 N HA -0.005 4.735 4.740 -0.001 0.000 0.238 67 N C 0.051 175.684 175.510 0.206 0.000 1.084 67 N CA 0.164 53.314 53.050 0.167 0.000 0.952 67 N CB 0.844 39.502 38.487 0.285 0.000 1.244 67 N HN 0.076 nan 8.380 nan 0.000 0.512 68 T N -0.434 114.189 114.554 0.116 0.000 3.144 68 T HA 0.080 4.430 4.350 -0.001 0.000 0.249 68 T C 1.348 176.089 174.700 0.069 0.000 1.089 68 T CA 0.157 62.318 62.100 0.102 0.000 0.989 68 T CB 0.275 69.178 68.868 0.057 0.000 0.992 68 T HN 0.177 nan 8.240 nan 0.000 0.540 69 K N 2.141 122.572 120.400 0.052 0.000 2.168 69 K HA 0.463 4.782 4.320 -0.001 0.000 0.201 69 K C 2.089 178.660 176.600 -0.049 0.000 1.049 69 K CA 0.997 57.286 56.287 0.003 0.000 0.974 69 K CB -0.706 31.791 32.500 -0.005 0.000 0.792 69 K HN 0.279 nan 8.250 nan 0.000 0.463 70 A N -0.708 122.050 122.820 -0.104 0.000 2.220 70 A HA 0.325 4.644 4.320 -0.001 0.000 0.211 70 A C -0.228 177.047 177.584 -0.515 0.000 1.176 70 A CA -0.089 51.746 52.037 -0.336 0.000 0.834 70 A CB -0.090 18.609 19.000 -0.502 0.000 0.868 70 A HN 0.175 nan 8.150 nan 0.000 0.488 71 F N -0.021 119.915 119.950 -0.024 0.000 2.496 71 F HA 0.462 4.988 4.527 -0.001 0.000 0.341 71 F C 0.423 176.202 175.800 -0.035 0.000 1.134 71 F CA -0.557 57.423 58.000 -0.032 0.000 0.968 71 F CB 1.906 40.883 39.000 -0.038 0.000 1.205 71 F HN -0.028 nan 8.300 nan 0.000 0.436 72 S N 1.649 117.421 115.700 0.120 0.000 2.578 72 S HA 0.287 4.756 4.470 -0.001 0.000 0.283 72 S C 0.673 175.266 174.600 -0.011 0.000 1.195 72 S CA -0.555 57.671 58.200 0.044 0.000 1.050 72 S CB 0.819 64.026 63.200 0.012 0.000 1.012 72 S HN 0.649 nan 8.310 nan 0.000 0.511 73 N N 2.216 120.874 118.700 -0.071 0.000 2.449 73 N HA 0.144 4.883 4.740 -0.001 0.000 0.191 73 N C 1.101 176.526 175.510 -0.142 0.000 1.161 73 N CA 0.203 53.139 53.050 -0.190 0.000 0.863 73 N CB 0.082 38.313 38.487 -0.426 0.000 0.980 73 N HN 0.574 nan 8.380 nan 0.000 0.458 74 K N -0.817 119.535 120.400 -0.080 0.000 2.280 74 K HA 0.005 4.324 4.320 -0.001 0.000 0.202 74 K C 1.435 177.991 176.600 -0.074 0.000 1.047 74 K CA 1.022 57.267 56.287 -0.069 0.000 0.942 74 K CB 0.077 32.553 32.500 -0.041 0.000 0.739 74 K HN 0.137 nan 8.250 nan 0.000 0.457 75 G N 0.758 109.513 108.800 -0.076 0.000 3.371 75 G HA2 -0.014 3.945 3.960 -0.001 0.000 0.248 75 G HA3 -0.014 3.945 3.960 -0.001 0.000 0.248 75 G C 1.066 175.896 174.900 -0.117 0.000 1.161 75 G CA -0.301 44.755 45.100 -0.073 0.000 0.796 75 G HN 0.086 nan 8.290 nan 0.000 0.539 76 V N 1.518 121.332 119.914 -0.168 0.000 2.324 76 V HA -0.062 4.057 4.120 -0.001 0.000 0.250 76 V C 1.677 177.617 176.094 -0.257 0.000 1.060 76 V CA 2.326 64.490 62.300 -0.226 0.000 1.042 76 V CB -0.277 31.388 31.823 -0.263 0.000 0.650 76 V HN 0.481 nan 8.190 nan 0.000 0.450 77 T N -1.922 112.462 114.554 -0.282 0.000 2.794 77 T HA 0.547 4.896 4.350 -0.001 0.000 0.280 77 T C -1.087 173.554 174.700 -0.098 0.000 0.987 77 T CA -0.491 61.393 62.100 -0.359 0.000 0.993 77 T CB 1.503 69.891 68.868 -0.800 0.000 0.939 77 T HN 0.271 nan 8.240 nan 0.000 0.449 78 F N 3.719 123.535 119.950 -0.224 0.000 2.689 78 F HA 0.497 5.023 4.527 -0.001 0.000 0.332 78 F C -2.959 172.716 175.800 -0.208 0.000 1.209 78 F CA -2.123 55.742 58.000 -0.225 0.000 1.028 78 F CB 1.886 40.747 39.000 -0.233 0.000 1.291 78 F HN 0.421 nan 8.300 nan 0.000 0.500 79 P HA 0.088 nan 4.420 nan 0.000 0.269 79 P C -0.855 176.263 177.300 -0.305 0.000 1.209 79 P CA -0.221 62.385 63.100 -0.823 0.000 0.776 79 P CB 0.584 31.805 31.700 -0.798 0.000 0.876 80 R N 2.513 122.894 120.500 -0.198 0.000 2.538 80 R HA -0.000 4.339 4.340 -0.001 0.000 0.282 80 R C -0.175 176.122 176.300 -0.005 0.000 1.009 80 R CA 0.049 56.095 56.100 -0.091 0.000 1.063 80 R CB -0.100 30.156 30.300 -0.073 0.000 0.945 80 R HN 0.357 nan 8.270 nan 0.000 0.414 81 Y N 2.127 122.332 120.300 -0.159 0.000 2.550 81 Y HA -0.054 4.495 4.550 -0.001 0.000 0.343 81 Y C 0.593 176.363 175.900 -0.218 0.000 1.245 81 Y CA -0.223 57.769 58.100 -0.180 0.000 1.462 81 Y CB 0.432 38.796 38.460 -0.160 0.000 1.340 81 Y HN 0.562 nan 8.280 nan 0.000 0.604 82 E N 1.052 121.183 120.200 -0.115 0.000 1.932 82 E HA 0.144 4.493 4.350 -0.001 0.000 0.275 82 E C -0.001 176.274 176.600 -0.541 0.000 1.159 82 E CA -0.020 56.248 56.400 -0.220 0.000 0.905 82 E CB -0.256 29.352 29.700 -0.153 0.000 1.059 82 E HN 0.585 nan 8.360 nan 0.000 0.400 83 T N 1.552 115.740 114.554 -0.609 0.000 3.288 83 T HA 0.477 4.826 4.350 -0.001 0.000 0.293 83 T C 1.032 175.437 174.700 -0.492 0.000 1.008 83 T CA -0.100 61.263 62.100 -1.229 0.000 0.929 83 T CB -0.002 68.545 68.868 -0.534 0.000 1.152 83 T HN 0.542 nan 8.240 nan 0.000 0.517 84 G N 2.521 111.198 108.800 -0.205 0.000 2.596 84 G HA2 -0.357 3.603 3.960 -0.001 0.000 0.295 84 G HA3 -0.357 3.603 3.960 -0.001 0.000 0.295 84 G C 0.462 175.365 174.900 0.005 0.000 1.240 84 G CA 0.560 45.711 45.100 0.086 0.000 0.985 84 G HN 0.480 nan 8.290 nan 0.000 0.555 85 E N 0.328 120.469 120.200 -0.099 0.000 2.502 85 E HA 0.323 4.672 4.350 -0.001 0.000 0.194 85 E C 0.596 176.973 176.600 -0.372 0.000 1.062 85 E CA -0.080 56.151 56.400 -0.283 0.000 0.867 85 E CB -0.065 29.399 29.700 -0.394 0.000 0.888 85 E HN 0.314 nan 8.360 nan 0.000 0.510 86 F N 0.624 120.601 119.950 0.045 0.000 2.378 86 F HA 0.353 4.879 4.527 -0.002 0.000 0.325 86 F C 0.891 176.676 175.800 -0.024 0.000 1.097 86 F CA -0.717 57.308 58.000 0.043 0.000 1.079 86 F CB 0.911 40.004 39.000 0.155 0.000 1.240 86 F HN -0.235 nan 8.300 nan 0.000 0.519 87 E N 1.082 121.373 120.200 0.152 0.000 2.221 87 E HA 0.440 4.789 4.350 -0.001 0.000 0.268 87 E C -1.166 175.438 176.600 0.006 0.000 0.933 87 E CA -0.954 55.459 56.400 0.022 0.000 0.809 87 E CB 2.060 31.730 29.700 -0.050 0.000 1.190 87 E HN 0.405 nan 8.360 nan 0.000 0.406 88 L N 2.816 124.016 121.223 -0.039 0.000 2.385 88 L HA 0.188 4.527 4.340 -0.001 0.000 0.281 88 L C 0.149 176.953 176.870 -0.110 0.000 1.106 88 L CA -0.428 54.384 54.840 -0.047 0.000 0.856 88 L CB 0.064 42.089 42.059 -0.057 0.000 1.186 88 L HN 0.419 nan 8.230 nan 0.000 0.453 89 M N 4.422 123.912 119.600 -0.184 0.000 2.249 89 M HA 0.065 4.544 4.480 -0.001 0.000 0.340 89 M C 0.809 177.007 176.300 -0.169 0.000 1.166 89 M CA 1.136 56.226 55.300 -0.349 0.000 1.115 89 M CB 0.365 32.474 32.600 -0.818 0.000 1.606 89 M HN 0.740 nan 8.290 nan 0.000 0.448 90 M N 1.260 120.802 119.600 -0.097 0.000 3.432 90 M HA -0.414 4.065 4.480 -0.001 0.000 0.139 90 M C 1.239 177.702 176.300 0.272 0.000 0.691 90 M CA 1.934 57.332 55.300 0.162 0.000 0.639 90 M CB -2.037 30.653 32.600 0.150 0.000 1.882 90 M HN 0.762 nan 8.290 nan 0.000 0.254 91 A N -0.172 122.712 122.820 0.106 0.000 2.019 91 A HA 0.166 4.485 4.320 -0.001 0.000 0.219 91 A C 1.852 179.350 177.584 -0.144 0.000 1.164 91 A CA 2.149 54.178 52.037 -0.013 0.000 0.644 91 A CB -0.823 18.139 19.000 -0.063 0.000 0.805 91 A HN 0.884 nan 8.150 nan 0.000 0.449 92 G N -1.187 107.557 108.800 -0.094 0.000 3.523 92 G HA2 0.435 4.394 3.960 -0.001 0.000 0.270 92 G HA3 0.435 4.394 3.960 -0.001 0.000 0.270 92 G C 0.195 175.049 174.900 -0.076 0.000 1.134 92 G CA -0.247 44.783 45.100 -0.117 0.000 0.825 92 G HN 0.557 nan 8.290 nan 0.000 0.534 93 Q N 0.031 119.828 119.800 -0.005 0.000 2.433 93 Q HA 0.437 4.776 4.340 -0.001 0.000 0.279 93 Q C -1.424 174.660 176.000 0.141 0.000 1.105 93 Q CA -0.967 54.860 55.803 0.040 0.000 0.815 93 Q CB 2.257 31.001 28.738 0.010 0.000 1.403 93 Q HN 0.052 nan 8.270 nan 0.000 0.435 94 D N 0.285 120.746 120.400 0.100 0.000 2.340 94 D HA 0.275 4.915 4.640 -0.001 0.000 0.243 94 D C -0.845 175.529 176.300 0.123 0.000 0.988 94 D CA -0.458 53.601 54.000 0.098 0.000 0.959 94 D CB 1.197 42.032 40.800 0.057 0.000 1.226 94 D HN 0.317 nan 8.370 nan 0.000 0.509 95 D N 0.681 121.141 120.400 0.100 0.000 2.357 95 D HA 0.098 4.738 4.640 -0.001 0.000 0.242 95 D C -0.957 175.394 176.300 0.085 0.000 1.153 95 D CA -0.894 53.182 54.000 0.126 0.000 0.918 95 D CB 0.599 41.459 40.800 0.100 0.000 1.181 95 D HN 0.155 nan 8.370 nan 0.000 0.435 96 P HA -0.020 nan 4.420 nan 0.000 0.231 96 P C 1.374 178.755 177.300 0.134 0.000 1.168 96 P CA 0.231 63.390 63.100 0.097 0.000 0.779 96 P CB 0.452 32.195 31.700 0.072 0.000 0.844 97 V N 1.620 121.620 119.914 0.143 0.000 2.252 97 V HA -0.305 3.814 4.120 -0.001 0.000 0.249 97 V C 2.857 179.096 176.094 0.242 0.000 1.056 97 V CA 2.340 64.755 62.300 0.193 0.000 1.022 97 V CB -1.603 30.271 31.823 0.086 0.000 0.641 97 V HN 0.337 nan 8.190 nan 0.000 0.445 98 H N 0.965 120.087 119.070 0.086 0.000 2.319 98 H HA -0.270 4.285 4.556 -0.001 0.000 0.297 98 H C 2.417 177.815 175.328 0.116 0.000 1.097 98 H CA 2.564 58.660 56.048 0.079 0.000 1.285 98 H CB -0.089 29.693 29.762 0.033 0.000 1.368 98 H HN 0.441 nan 8.280 nan 0.000 0.495 99 K N 0.709 121.062 120.400 -0.080 0.000 2.063 99 K HA -0.135 4.184 4.320 -0.001 0.000 0.208 99 K C 2.458 179.027 176.600 -0.052 0.000 1.048 99 K CA 1.632 57.840 56.287 -0.133 0.000 0.928 99 K CB 0.081 32.599 32.500 0.031 0.000 0.713 99 K HN 0.281 nan 8.250 nan 0.000 0.442 100 K N -0.720 119.714 120.400 0.056 0.000 2.057 100 K HA -0.146 4.174 4.320 -0.001 0.000 0.206 100 K C 2.098 178.716 176.600 0.030 0.000 1.050 100 K CA 1.595 57.907 56.287 0.042 0.000 0.935 100 K CB -0.184 32.350 32.500 0.056 0.000 0.715 100 K HN 0.165 nan 8.250 nan 0.000 0.439 101 Y N 0.823 121.146 120.300 0.039 0.000 2.220 101 Y HA -0.119 4.430 4.550 -0.001 0.000 0.291 101 Y C 2.523 178.529 175.900 0.177 0.000 1.129 101 Y CA 1.189 59.396 58.100 0.179 0.000 1.161 101 Y CB -0.220 38.326 38.460 0.144 0.000 0.997 101 Y HN -0.003 nan 8.280 nan 0.000 0.522 102 R N 0.510 121.085 120.500 0.125 0.000 2.081 102 R HA -0.195 4.144 4.340 -0.001 0.000 0.235 102 R C 2.006 178.339 176.300 0.054 0.000 1.131 102 R CA 1.700 57.829 56.100 0.048 0.000 0.960 102 R CB -0.262 29.925 30.300 -0.188 0.000 0.856 102 R HN 0.391 nan 8.270 nan 0.000 0.436 103 Q N 0.125 119.932 119.800 0.012 0.000 2.297 103 Q HA -0.159 4.180 4.340 -0.001 0.000 0.208 103 Q C 1.984 177.992 176.000 0.014 0.000 0.981 103 Q CA 1.224 57.033 55.803 0.010 0.000 0.876 103 Q CB -0.031 28.701 28.738 -0.009 0.000 0.921 103 Q HN 0.456 nan 8.270 nan 0.000 0.446 104 L N -0.261 120.971 121.223 0.015 0.000 2.217 104 L HA -0.070 4.269 4.340 -0.001 0.000 0.211 104 L C 1.754 178.605 176.870 -0.032 0.000 1.107 104 L CA 0.627 55.444 54.840 -0.038 0.000 0.783 104 L CB 0.063 42.061 42.059 -0.103 0.000 0.919 104 L HN 0.162 nan 8.230 nan 0.000 0.442 105 V N -5.445 114.498 119.914 0.048 0.000 3.176 105 V HA 0.410 4.529 4.120 -0.001 0.000 0.332 105 V C 1.834 178.085 176.094 0.261 0.000 1.414 105 V CA 0.359 62.742 62.300 0.139 0.000 1.133 105 V CB -0.068 31.889 31.823 0.224 0.000 1.088 105 V HN 0.127 nan 8.190 nan 0.000 0.473 106 A N 1.269 124.186 122.820 0.161 0.000 1.898 106 A HA -0.135 4.185 4.320 -0.001 0.000 0.216 106 A C 2.221 179.909 177.584 0.174 0.000 1.181 106 A CA 2.211 54.352 52.037 0.173 0.000 0.620 106 A CB -0.380 18.677 19.000 0.095 0.000 0.819 106 A HN 0.579 nan 8.150 nan 0.000 0.442 107 K N -0.122 120.335 120.400 0.096 0.000 1.991 107 K HA -0.132 4.187 4.320 -0.001 0.000 0.212 107 K C -0.839 175.776 176.600 0.026 0.000 1.049 107 K CA 1.740 58.055 56.287 0.047 0.000 0.932 107 K CB -0.897 31.606 32.500 0.006 0.000 0.717 107 K HN 0.392 nan 8.250 nan 0.000 0.441 108 P HA -0.150 nan 4.420 nan 0.000 0.226 108 P C 0.439 177.573 177.300 -0.277 0.000 1.146 108 P CA 1.219 64.218 63.100 -0.168 0.000 0.773 108 P CB -0.010 31.545 31.700 -0.241 0.000 0.772 109 F N 0.006 120.022 119.950 0.109 0.000 2.678 109 F HA 0.119 4.645 4.527 -0.001 0.000 0.305 109 F C 1.621 177.541 175.800 0.199 0.000 1.090 109 F CA -0.288 57.806 58.000 0.156 0.000 1.272 109 F CB -0.244 38.835 39.000 0.132 0.000 1.060 109 F HN -0.151 nan 8.300 nan 0.000 0.576 110 S N 0.126 115.967 115.700 0.234 0.000 2.589 110 S HA 0.120 4.589 4.470 -0.001 0.000 0.265 110 S C -1.691 172.923 174.600 0.023 0.000 1.342 110 S CA -0.947 57.330 58.200 0.129 0.000 1.005 110 S CB 0.871 64.092 63.200 0.036 0.000 0.909 110 S HN -0.112 nan 8.310 nan 0.000 0.555 111 P HA -0.124 nan 4.420 nan 0.000 0.215 111 P C 1.244 178.492 177.300 -0.087 0.000 1.157 111 P CA 1.510 64.468 63.100 -0.236 0.000 0.874 111 P CB -0.022 31.457 31.700 -0.368 0.000 0.790 112 E N -0.532 119.615 120.200 -0.088 0.000 2.058 112 E HA -0.168 4.181 4.350 -0.001 0.000 0.194 112 E C 2.107 178.651 176.600 -0.094 0.000 0.997 112 E CA 1.386 57.740 56.400 -0.075 0.000 0.801 112 E CB -0.647 29.012 29.700 -0.068 0.000 0.746 112 E HN 0.160 nan 8.360 nan 0.000 0.450 113 A N 1.061 123.826 122.820 -0.092 0.000 1.930 113 A HA -0.147 4.172 4.320 -0.001 0.000 0.217 113 A C 2.411 179.856 177.584 -0.231 0.000 1.175 113 A CA 1.850 53.791 52.037 -0.160 0.000 0.627 113 A CB -0.861 18.066 19.000 -0.122 0.000 0.815 113 A HN 0.389 nan 8.150 nan 0.000 0.443 114 T N -2.998 111.529 114.554 -0.046 0.000 3.055 114 T HA -0.047 4.302 4.350 -0.001 0.000 0.265 114 T C 1.083 175.827 174.700 0.074 0.000 1.111 114 T CA 1.174 63.347 62.100 0.122 0.000 1.118 114 T CB -0.250 68.791 68.868 0.288 0.000 0.909 114 T HN 0.276 nan 8.240 nan 0.000 0.501 115 D N 1.461 121.848 120.400 -0.021 0.000 2.264 115 D HA 0.080 4.719 4.640 -0.001 0.000 0.208 115 D C 1.769 178.025 176.300 -0.073 0.000 0.966 115 D CA 0.424 54.417 54.000 -0.012 0.000 0.864 115 D CB -0.249 40.534 40.800 -0.027 0.000 0.933 115 D HN 0.403 nan 8.370 nan 0.000 0.499 116 L N -0.644 120.441 121.223 -0.230 0.000 2.549 116 L HA -0.024 4.315 4.340 -0.001 0.000 0.229 116 L C 1.440 178.126 176.870 -0.306 0.000 1.158 116 L CA 0.395 55.052 54.840 -0.306 0.000 0.842 116 L CB -0.252 41.540 42.059 -0.445 0.000 0.952 116 L HN -0.005 nan 8.230 nan 0.000 0.452 117 F N -1.433 118.515 119.950 -0.004 0.000 2.746 117 F HA -0.014 4.512 4.527 -0.001 0.000 0.297 117 F C 2.359 178.166 175.800 0.011 0.000 1.113 117 F CA -0.000 58.001 58.000 0.001 0.000 1.367 117 F CB -0.322 38.680 39.000 0.003 0.000 1.111 117 F HN -0.058 nan 8.300 nan 0.000 0.590 118 T N 0.227 114.879 114.554 0.164 0.000 2.565 118 T HA -0.345 4.005 4.350 -0.001 0.000 0.265 118 T C 1.804 176.558 174.700 0.090 0.000 1.082 118 T CA 2.214 64.381 62.100 0.112 0.000 1.173 118 T CB -0.353 68.556 68.868 0.068 0.000 0.864 118 T HN 0.193 nan 8.240 nan 0.000 0.425 119 E N 0.965 121.205 120.200 0.067 0.000 2.110 119 E HA -0.156 4.193 4.350 -0.001 0.000 0.193 119 E C 2.272 178.911 176.600 0.065 0.000 0.988 119 E CA 1.541 57.974 56.400 0.054 0.000 0.804 119 E CB -0.404 29.317 29.700 0.036 0.000 0.745 119 E HN 0.644 nan 8.360 nan 0.000 0.458 120 Q N -0.157 119.697 119.800 0.090 0.000 2.096 120 Q HA -0.171 4.168 4.340 -0.001 0.000 0.204 120 Q C 2.159 178.205 176.000 0.076 0.000 0.982 120 Q CA 1.642 57.501 55.803 0.094 0.000 0.850 120 Q CB -0.150 28.678 28.738 0.149 0.000 0.901 120 Q HN 0.415 nan 8.270 nan 0.000 0.422 121 L N -0.021 121.254 121.223 0.087 0.000 2.109 121 L HA -0.113 4.226 4.340 -0.001 0.000 0.207 121 L C 2.849 179.746 176.870 0.044 0.000 1.086 121 L CA 1.072 55.947 54.840 0.057 0.000 0.760 121 L CB -0.396 41.705 42.059 0.069 0.000 0.910 121 L HN 0.226 nan 8.230 nan 0.000 0.437 122 R N -0.014 120.517 120.500 0.051 0.000 2.073 122 R HA -0.242 4.097 4.340 -0.001 0.000 0.234 122 R C 2.376 178.694 176.300 0.030 0.000 1.134 122 R CA 1.847 57.971 56.100 0.039 0.000 0.952 122 R CB -0.111 30.213 30.300 0.040 0.000 0.850 122 R HN 0.194 nan 8.270 nan 0.000 0.433 123 Q N 0.116 119.936 119.800 0.034 0.000 2.084 123 Q HA -0.132 4.207 4.340 -0.001 0.000 0.202 123 Q C 2.021 178.036 176.000 0.026 0.000 0.978 123 Q CA 2.241 58.061 55.803 0.030 0.000 0.844 123 Q CB -0.341 28.416 28.738 0.033 0.000 0.898 123 Q HN 0.266 nan 8.270 nan 0.000 0.426 124 S N -1.410 114.305 115.700 0.026 0.000 2.356 124 S HA -0.164 4.306 4.470 -0.001 0.000 0.223 124 S C 1.872 176.474 174.600 0.004 0.000 1.032 124 S CA 1.789 60.000 58.200 0.018 0.000 1.005 124 S CB -0.655 62.553 63.200 0.015 0.000 0.867 124 S HN 0.612 nan 8.310 nan 0.000 0.449 125 T N 2.830 117.381 114.554 -0.005 0.000 2.684 125 T HA -0.080 4.269 4.350 -0.001 0.000 0.267 125 T C 1.833 176.513 174.700 -0.032 0.000 1.036 125 T CA 1.487 63.565 62.100 -0.037 0.000 1.148 125 T CB -0.548 68.307 68.868 -0.022 0.000 0.863 125 T HN 0.440 nan 8.240 nan 0.000 0.436 126 N N 1.062 119.762 118.700 -0.001 0.000 2.188 126 N HA -0.102 4.637 4.740 -0.001 0.000 0.184 126 N C 1.512 177.043 175.510 0.034 0.000 1.018 126 N CA 1.138 54.197 53.050 0.014 0.000 0.858 126 N CB -0.313 38.185 38.487 0.019 0.000 0.989 126 N HN 0.374 nan 8.380 nan 0.000 0.426 127 D N 1.057 121.477 120.400 0.034 0.000 2.144 127 D HA -0.061 4.578 4.640 -0.001 0.000 0.199 127 D C 2.196 178.543 176.300 0.079 0.000 0.984 127 D CA 0.439 54.468 54.000 0.050 0.000 0.834 127 D CB -0.277 40.547 40.800 0.040 0.000 0.955 127 D HN 0.229 nan 8.370 nan 0.000 0.465 128 L N 0.349 121.612 121.223 0.067 0.000 2.056 128 L HA -0.099 4.240 4.340 -0.001 0.000 0.207 128 L C 2.472 179.526 176.870 0.307 0.000 1.078 128 L CA 0.663 55.578 54.840 0.125 0.000 0.749 128 L CB -0.224 41.828 42.059 -0.010 0.000 0.901 128 L HN 0.019 nan 8.230 nan 0.000 0.433 129 I N -0.326 120.346 120.570 0.170 0.000 2.226 129 I HA -0.285 3.884 4.170 -0.001 0.000 0.245 129 I C 2.007 178.316 176.117 0.321 0.000 1.100 129 I CA 1.071 62.554 61.300 0.305 0.000 1.374 129 I CB -0.444 37.605 38.000 0.082 0.000 1.057 129 I HN 0.260 nan 8.210 nan 0.000 0.413 130 D N 1.268 121.774 120.400 0.176 0.000 2.190 130 D HA -0.182 4.457 4.640 -0.001 0.000 0.200 130 D C 2.226 178.590 176.300 0.106 0.000 0.992 130 D CA 1.469 55.540 54.000 0.118 0.000 0.854 130 D CB -0.128 40.717 40.800 0.076 0.000 0.936 130 D HN 0.363 nan 8.370 nan 0.000 0.462 131 A N 0.339 123.242 122.820 0.139 0.000 1.978 131 A HA -0.153 4.166 4.320 -0.001 0.000 0.220 131 A C 1.899 179.436 177.584 -0.079 0.000 1.170 131 A CA 1.314 53.385 52.037 0.056 0.000 0.636 131 A CB -0.083 18.980 19.000 0.105 0.000 0.810 131 A HN 0.202 nan 8.150 nan 0.000 0.448 132 R N -1.923 118.499 120.500 -0.129 0.000 2.541 132 R HA 0.373 4.712 4.340 -0.001 0.000 0.332 132 R C 1.440 177.729 176.300 -0.019 0.000 0.951 132 R CA 0.087 55.989 56.100 -0.330 0.000 1.136 132 R CB -0.092 29.545 30.300 -1.106 0.000 1.449 132 R HN 0.509 nan 8.270 nan 0.000 0.531 133 I N 2.024 122.683 120.570 0.148 0.000 2.264 133 I HA -0.253 3.917 4.170 -0.001 0.000 0.248 133 I C 1.223 177.493 176.117 0.255 0.000 1.111 133 I CA 1.758 63.227 61.300 0.283 0.000 1.382 133 I CB 0.253 38.355 38.000 0.170 0.000 1.060 133 I HN 0.224 nan 8.210 nan 0.000 0.418 134 E N 0.270 120.531 120.200 0.102 0.000 2.482 134 E HA -0.101 4.249 4.350 -0.001 0.000 0.196 134 E C 1.974 178.566 176.600 -0.014 0.000 1.047 134 E CA 0.528 56.956 56.400 0.046 0.000 0.869 134 E CB 0.118 29.826 29.700 0.014 0.000 0.836 134 E HN 0.561 nan 8.360 nan 0.000 0.520 135 L N -0.541 120.651 121.223 -0.052 0.000 2.375 135 L HA 0.152 4.491 4.340 -0.001 0.000 0.215 135 L C 1.644 178.319 176.870 -0.324 0.000 1.108 135 L CA 0.451 55.193 54.840 -0.165 0.000 0.830 135 L CB -0.097 41.840 42.059 -0.203 0.000 0.959 135 L HN 0.263 nan 8.230 nan 0.000 0.457 136 G N 1.329 109.806 108.800 -0.539 0.000 2.166 136 G HA2 -0.295 3.664 3.960 -0.001 0.000 0.260 136 G HA3 -0.295 3.664 3.960 -0.001 0.000 0.260 136 G C 0.016 174.053 174.900 -1.438 0.000 0.986 136 G CA 0.884 45.273 45.100 -1.185 0.000 0.683 136 G HN 0.558 nan 8.290 nan 0.000 0.527 137 E N -1.984 117.600 120.200 -1.027 0.000 2.388 137 E HA 0.746 5.095 4.350 -0.001 0.000 0.280 137 E C -0.178 176.281 176.600 -0.235 0.000 1.019 137 E CA -0.223 55.896 56.400 -0.468 0.000 0.806 137 E CB 1.095 30.630 29.700 -0.275 0.000 1.246 137 E HN 1.693 nan 8.360 nan 0.000 0.443 138 G N 0.497 109.298 108.800 0.003 0.000 2.377 138 G HA2 0.371 4.330 3.960 -0.001 0.000 0.297 138 G HA3 0.371 4.330 3.960 -0.001 0.000 0.297 138 G C -1.908 173.177 174.900 0.309 0.000 1.547 138 G CA -0.717 44.376 45.100 -0.011 0.000 0.833 138 G HN 0.602 nan 8.290 nan 0.000 0.583 139 D N 0.937 121.523 120.400 0.309 0.000 2.380 139 D HA 0.480 5.120 4.640 -0.001 0.000 0.230 139 D C 1.465 178.009 176.300 0.406 0.000 1.154 139 D CA 0.298 54.492 54.000 0.324 0.000 0.859 139 D CB 1.400 42.351 40.800 0.252 0.000 1.045 139 D HN 0.586 nan 8.370 nan 0.000 0.495 140 A N 3.879 126.897 122.820 0.329 0.000 2.076 140 A HA -0.085 4.234 4.320 -0.001 0.000 0.220 140 A C 1.968 179.587 177.584 0.058 0.000 1.160 140 A CA 1.880 53.940 52.037 0.037 0.000 0.653 140 A CB -0.184 18.771 19.000 -0.075 0.000 0.801 140 A HN 0.623 nan 8.150 nan 0.000 0.455 141 A N -0.369 122.538 122.820 0.145 0.000 1.835 141 A HA -0.004 4.315 4.320 -0.001 0.000 0.213 141 A C 2.487 180.102 177.584 0.050 0.000 1.210 141 A CA 2.294 54.374 52.037 0.071 0.000 0.605 141 A CB -1.388 17.616 19.000 0.006 0.000 0.860 141 A HN 0.755 nan 8.150 nan 0.000 0.447 142 T N -3.755 110.862 114.554 0.105 0.000 2.746 142 T HA -0.216 4.133 4.350 -0.001 0.000 0.267 142 T C 1.685 176.478 174.700 0.155 0.000 1.039 142 T CA 1.732 63.894 62.100 0.102 0.000 1.142 142 T CB -0.500 68.452 68.868 0.139 0.000 0.866 142 T HN 0.677 nan 8.240 nan 0.000 0.444 143 W N 1.542 122.835 121.300 -0.012 0.000 2.409 143 W HA 0.315 4.974 4.660 -0.002 0.000 0.299 143 W C 1.533 178.014 176.519 -0.063 0.000 1.203 143 W CA 0.437 57.761 57.345 -0.036 0.000 1.298 143 W CB -0.385 29.057 29.460 -0.031 0.000 1.127 143 W HN 0.271 nan 8.180 nan 0.000 0.528 144 L N -0.396 120.618 121.223 -0.348 0.000 2.590 144 L HA 0.285 4.624 4.340 -0.001 0.000 0.181 144 L C 2.662 179.456 176.870 -0.126 0.000 1.134 144 L CA 0.779 55.325 54.840 -0.488 0.000 0.850 144 L CB -1.379 40.047 42.059 -1.055 0.000 1.172 144 L HN -0.127 nan 8.230 nan 0.000 0.498 145 A N 0.748 123.595 122.820 0.044 0.000 1.917 145 A HA -0.232 4.087 4.320 -0.001 0.000 0.219 145 A C 1.921 179.464 177.584 -0.068 0.000 1.182 145 A CA 2.304 54.331 52.037 -0.017 0.000 0.633 145 A CB -0.646 18.306 19.000 -0.080 0.000 0.819 145 A HN 0.475 nan 8.150 nan 0.000 0.448 146 N N -0.271 118.401 118.700 -0.046 0.000 2.250 146 N HA -0.065 4.674 4.740 -0.001 0.000 0.181 146 N C 1.576 177.071 175.510 -0.025 0.000 1.017 146 N CA 1.207 54.234 53.050 -0.038 0.000 0.866 146 N CB -0.289 38.178 38.487 -0.032 0.000 0.985 146 N HN 0.486 nan 8.380 nan 0.000 0.429 147 E N 0.708 120.894 120.200 -0.024 0.000 2.152 147 E HA 0.027 4.377 4.350 -0.001 0.000 0.192 147 E C 2.119 178.707 176.600 -0.021 0.000 0.983 147 E CA 0.245 56.637 56.400 -0.013 0.000 0.818 147 E CB -0.032 29.668 29.700 0.000 0.000 0.758 147 E HN 0.408 nan 8.360 nan 0.000 0.467 148 I N 1.925 122.471 120.570 -0.040 0.000 2.179 148 I HA -0.195 3.974 4.170 -0.001 0.000 0.242 148 I C -0.504 175.593 176.117 -0.034 0.000 1.088 148 I CA 1.249 62.527 61.300 -0.037 0.000 1.357 148 I CB -1.297 36.678 38.000 -0.042 0.000 1.051 148 I HN 0.078 nan 8.210 nan 0.000 0.409 149 P HA -0.058 nan 4.420 nan 0.000 0.222 149 P C 1.378 178.662 177.300 -0.027 0.000 1.153 149 P CA 1.504 64.583 63.100 -0.034 0.000 0.798 149 P CB 0.110 31.796 31.700 -0.024 0.000 0.796 150 A N 1.110 123.927 122.820 -0.004 0.000 1.877 150 A HA -0.162 4.157 4.320 -0.001 0.000 0.216 150 A C 2.439 180.046 177.584 0.038 0.000 1.186 150 A CA 1.348 53.406 52.037 0.034 0.000 0.620 150 A CB -1.130 17.904 19.000 0.057 0.000 0.822 150 A HN 0.062 nan 8.150 nan 0.000 0.443 151 R N -1.193 119.319 120.500 0.020 0.000 2.075 151 R HA -0.067 4.272 4.340 -0.001 0.000 0.232 151 R C 2.132 178.417 176.300 -0.025 0.000 1.126 151 R CA 1.310 57.422 56.100 0.019 0.000 0.963 151 R CB -0.550 29.759 30.300 0.014 0.000 0.858 151 R HN 0.482 nan 8.270 nan 0.000 0.435 152 L N 0.795 121.978 121.223 -0.066 0.000 1.994 152 L HA -0.163 4.176 4.340 -0.001 0.000 0.208 152 L C 1.916 178.686 176.870 -0.167 0.000 1.071 152 L CA 2.019 56.768 54.840 -0.153 0.000 0.745 152 L CB -0.804 41.145 42.059 -0.184 0.000 0.892 152 L HN 0.082 nan 8.230 nan 0.000 0.431 153 T N 0.042 114.526 114.554 -0.117 0.000 2.720 153 T HA -0.203 4.147 4.350 -0.001 0.000 0.268 153 T C 1.907 176.523 174.700 -0.140 0.000 1.037 153 T CA 1.451 63.479 62.100 -0.121 0.000 1.144 153 T CB -0.622 68.183 68.868 -0.105 0.000 0.864 153 T HN 0.553 nan 8.240 nan 0.000 0.444 154 A N 1.044 123.798 122.820 -0.110 0.000 1.902 154 A HA -0.059 4.260 4.320 -0.001 0.000 0.217 154 A C 2.186 179.747 177.584 -0.038 0.000 1.181 154 A CA 1.295 53.275 52.037 -0.096 0.000 0.623 154 A CB -0.715 18.321 19.000 0.060 0.000 0.818 154 A HN 0.385 nan 8.150 nan 0.000 0.443 155 I N -0.075 120.474 120.570 -0.035 0.000 2.226 155 I HA -0.208 3.961 4.170 -0.001 0.000 0.245 155 I C 2.374 178.479 176.117 -0.020 0.000 1.100 155 I CA 0.983 62.274 61.300 -0.013 0.000 1.374 155 I CB -0.521 37.466 38.000 -0.022 0.000 1.057 155 I HN 0.279 nan 8.210 nan 0.000 0.413 156 L N -0.765 120.406 121.223 -0.086 0.000 2.083 156 L HA -0.182 4.157 4.340 -0.001 0.000 0.209 156 L C 1.989 178.857 176.870 -0.005 0.000 1.083 156 L CA 1.197 55.997 54.840 -0.066 0.000 0.752 156 L CB -0.392 41.603 42.059 -0.106 0.000 0.899 156 L HN 0.224 nan 8.230 nan 0.000 0.433 157 L N -0.881 120.336 121.223 -0.011 0.000 2.607 157 L HA 0.233 4.572 4.340 -0.001 0.000 0.228 157 L C 1.276 178.212 176.870 0.110 0.000 1.123 157 L CA 0.345 55.217 54.840 0.054 0.000 0.890 157 L CB -0.192 41.851 42.059 -0.028 0.000 1.103 157 L HN 0.405 nan 8.230 nan 0.000 0.468 158 G N 1.141 109.984 108.800 0.072 0.000 2.176 158 G HA2 -0.265 3.695 3.960 -0.001 0.000 0.252 158 G HA3 -0.265 3.695 3.960 -0.001 0.000 0.252 158 G C -0.049 174.918 174.900 0.112 0.000 1.024 158 G CA 0.065 45.217 45.100 0.086 0.000 0.755 158 G HN 0.241 nan 8.290 nan 0.000 0.507 159 L N -0.510 120.776 121.223 0.106 0.000 2.332 159 L HA 0.561 4.900 4.340 -0.001 0.000 0.269 159 L C -1.974 174.998 176.870 0.170 0.000 1.016 159 L CA -2.656 52.277 54.840 0.155 0.000 0.809 159 L CB 1.506 43.612 42.059 0.078 0.000 1.280 159 L HN -0.169 nan 8.230 nan 0.000 0.447 160 P HA 0.058 nan 4.420 nan 0.000 0.267 160 P C -2.014 175.417 177.300 0.219 0.000 1.209 160 P CA -0.949 62.261 63.100 0.183 0.000 0.763 160 P CB 0.343 32.139 31.700 0.162 0.000 0.816 161 P HA -0.151 nan 4.420 nan 0.000 0.223 161 P C 0.813 178.165 177.300 0.087 0.000 1.151 161 P CA 1.286 64.465 63.100 0.133 0.000 0.787 161 P CB 0.163 31.909 31.700 0.077 0.000 0.788 162 E N -0.218 120.006 120.200 0.041 0.000 2.463 162 E HA -0.052 4.297 4.350 -0.001 0.000 0.191 162 E C 0.362 176.898 176.600 -0.107 0.000 1.083 162 E CA 0.328 56.717 56.400 -0.018 0.000 0.872 162 E CB -0.824 28.870 29.700 -0.010 0.000 0.966 162 E HN 0.189 nan 8.360 nan 0.000 0.491 163 D N 0.774 121.059 120.400 -0.192 0.000 2.525 163 D HA 0.146 4.786 4.640 -0.001 0.000 0.229 163 D C 1.251 176.962 176.300 -0.983 0.000 1.202 163 D CA 0.102 53.792 54.000 -0.516 0.000 0.828 163 D CB 0.381 40.870 40.800 -0.518 0.000 1.008 163 D HN 0.368 nan 8.370 nan 0.000 0.493 164 G N 0.924 109.426 108.800 -0.496 0.000 2.469 164 G HA2 -0.283 3.676 3.960 -0.001 0.000 0.220 164 G HA3 -0.283 3.676 3.960 -0.001 0.000 0.220 164 G C 1.374 176.042 174.900 -0.387 0.000 1.136 164 G CA 0.580 45.477 45.100 -0.339 0.000 0.759 164 G HN 0.208 nan 8.290 nan 0.000 0.562 165 D N -0.014 120.170 120.400 -0.360 0.000 2.178 165 D HA -0.053 4.586 4.640 -0.001 0.000 0.201 165 D C 2.721 178.781 176.300 -0.400 0.000 0.980 165 D CA 1.297 55.120 54.000 -0.294 0.000 0.842 165 D CB -0.393 40.274 40.800 -0.221 0.000 0.948 165 D HN 0.235 nan 8.370 nan 0.000 0.472 166 T N 0.312 114.489 114.554 -0.628 0.000 2.737 166 T HA -0.149 4.201 4.350 -0.001 0.000 0.265 166 T C 1.661 175.725 174.700 -1.061 0.000 1.038 166 T CA 0.877 62.492 62.100 -0.809 0.000 1.144 166 T CB -0.345 67.980 68.868 -0.905 0.000 0.866 166 T HN 0.146 nan 8.240 nan 0.000 0.434 167 Y N 1.613 121.432 120.300 -0.802 0.000 2.181 167 Y HA 0.020 4.569 4.550 -0.001 0.000 0.288 167 Y C 2.550 178.304 175.900 -0.243 0.000 1.146 167 Y CA 0.197 57.925 58.100 -0.620 0.000 1.164 167 Y CB -0.792 37.487 38.460 -0.300 0.000 0.982 167 Y HN 0.113 nan 8.280 nan 0.000 0.515 168 R N -0.015 120.445 120.500 -0.067 0.000 2.115 168 R HA -0.144 4.195 4.340 -0.001 0.000 0.230 168 R C 2.413 178.757 176.300 0.074 0.000 1.111 168 R CA 1.278 57.389 56.100 0.019 0.000 0.976 168 R CB -0.258 30.018 30.300 -0.041 0.000 0.870 168 R HN 0.279 nan 8.270 nan 0.000 0.445 169 R N 0.117 120.592 120.500 -0.042 0.000 2.075 169 R HA -0.148 4.191 4.340 -0.001 0.000 0.232 169 R C 1.620 178.085 176.300 0.275 0.000 1.126 169 R CA 1.423 57.564 56.100 0.068 0.000 0.963 169 R CB -0.092 30.178 30.300 -0.049 0.000 0.858 169 R HN 0.212 nan 8.270 nan 0.000 0.435 170 W N 0.062 121.446 121.300 0.141 0.000 2.379 170 W HA -0.071 4.589 4.660 -0.001 0.000 0.307 170 W C 2.106 178.730 176.519 0.176 0.000 1.200 170 W CA 0.305 57.743 57.345 0.156 0.000 1.297 170 W CB -1.106 28.437 29.460 0.138 0.000 1.140 170 W HN -0.028 nan 8.180 nan 0.000 0.507 171 V N -0.103 120.050 119.914 0.399 0.000 2.407 171 V HA -0.303 3.816 4.120 -0.001 0.000 0.248 171 V C 2.141 178.358 176.094 0.205 0.000 1.055 171 V CA 1.901 64.349 62.300 0.247 0.000 1.049 171 V CB -0.978 30.962 31.823 0.196 0.000 0.662 171 V HN 0.306 nan 8.190 nan 0.000 0.455 172 W N 0.638 121.998 121.300 0.100 0.000 2.358 172 W HA -0.218 4.441 4.660 -0.002 0.000 0.303 172 W C 2.437 179.021 176.519 0.108 0.000 1.208 172 W CA 1.844 59.248 57.345 0.099 0.000 1.274 172 W CB -0.152 29.341 29.460 0.055 0.000 1.138 172 W HN 0.320 nan 8.180 nan 0.000 0.515 173 A N 0.635 123.592 122.820 0.227 0.000 1.933 173 A HA -0.189 4.131 4.320 -0.001 0.000 0.218 173 A C 1.963 179.541 177.584 -0.009 0.000 1.175 173 A CA 1.837 53.955 52.037 0.135 0.000 0.628 173 A CB -1.010 18.141 19.000 0.251 0.000 0.814 173 A HN 0.326 nan 8.150 nan 0.000 0.444 174 I N -0.054 120.505 120.570 -0.018 0.000 2.252 174 I HA -0.188 3.981 4.170 -0.001 0.000 0.245 174 I C 2.652 178.498 176.117 -0.452 0.000 1.102 174 I CA 1.832 63.023 61.300 -0.181 0.000 1.385 174 I CB -0.258 37.662 38.000 -0.133 0.000 1.064 174 I HN 0.549 nan 8.210 nan 0.000 0.414 175 T N -3.926 110.302 114.554 -0.544 0.000 3.040 175 T HA 0.090 4.439 4.350 -0.001 0.000 0.252 175 T C 1.359 175.529 174.700 -0.883 0.000 1.064 175 T CA 0.562 62.170 62.100 -0.820 0.000 1.110 175 T CB 0.000 68.412 68.868 -0.761 0.000 0.921 175 T HN 0.319 nan 8.240 nan 0.000 0.480 176 H N -0.297 118.378 119.070 -0.659 0.000 2.089 176 H HA 0.493 5.049 4.556 -0.001 0.000 0.206 176 H C 0.404 175.451 175.328 -0.468 0.000 0.872 176 H CA -0.214 55.407 56.048 -0.712 0.000 0.979 176 H CB 0.033 28.874 29.762 -1.535 0.000 1.266 176 H HN 0.056 nan 8.280 nan 0.000 0.389 177 V N 3.863 123.578 119.914 -0.332 0.000 2.964 177 V HA -0.215 3.904 4.120 -0.001 0.000 0.286 177 V C 0.877 176.963 176.094 -0.014 0.000 1.363 177 V CA 0.643 62.933 62.300 -0.016 0.000 1.411 177 V CB 0.393 32.269 31.823 0.088 0.000 0.835 177 V HN 0.485 nan 8.190 nan 0.000 0.487 178 E N 4.101 124.331 120.200 0.050 0.000 2.046 178 E HA -0.100 4.249 4.350 -0.001 0.000 0.190 178 E C 1.108 177.719 176.600 0.019 0.000 0.982 178 E CA 0.689 57.105 56.400 0.026 0.000 0.800 178 E CB -0.348 29.387 29.700 0.060 0.000 0.756 178 E HN 0.814 nan 8.360 nan 0.000 0.449 179 N N 3.323 122.049 118.700 0.044 0.000 2.416 179 N HA -0.011 4.728 4.740 -0.001 0.000 0.265 179 N C -1.560 173.968 175.510 0.030 0.000 1.195 179 N CA -0.928 52.144 53.050 0.037 0.000 0.943 179 N CB 1.176 39.694 38.487 0.051 0.000 1.115 179 N HN -0.194 nan 8.380 nan 0.000 0.481 180 P HA -0.191 nan 4.420 nan 0.000 0.216 180 P C 0.446 177.764 177.300 0.029 0.000 1.153 180 P CA 1.440 64.544 63.100 0.008 0.000 0.858 180 P CB 0.346 32.044 31.700 -0.004 0.000 0.789 181 E N 0.122 120.343 120.200 0.035 0.000 2.051 181 E HA -0.183 4.166 4.350 -0.001 0.000 0.192 181 E C 2.265 178.904 176.600 0.065 0.000 0.991 181 E CA 1.145 57.573 56.400 0.047 0.000 0.799 181 E CB -0.782 28.942 29.700 0.041 0.000 0.748 181 E HN 0.425 nan 8.360 nan 0.000 0.449 182 E N -0.155 120.087 120.200 0.069 0.000 2.051 182 E HA -0.172 4.178 4.350 -0.001 0.000 0.192 182 E C 2.165 178.831 176.600 0.110 0.000 0.991 182 E CA 1.225 57.679 56.400 0.090 0.000 0.799 182 E CB -0.314 29.443 29.700 0.095 0.000 0.748 182 E HN 0.325 nan 8.360 nan 0.000 0.449 183 G N 0.839 109.697 108.800 0.097 0.000 2.446 183 G HA2 -0.299 3.660 3.960 -0.001 0.000 0.217 183 G HA3 -0.299 3.660 3.960 -0.001 0.000 0.217 183 G C 1.668 176.649 174.900 0.136 0.000 1.168 183 G CA 1.275 46.438 45.100 0.105 0.000 0.771 183 G HN 0.425 nan 8.290 nan 0.000 0.551 184 A N 0.509 123.396 122.820 0.112 0.000 1.933 184 A HA -0.031 4.288 4.320 -0.001 0.000 0.218 184 A C 2.168 179.855 177.584 0.171 0.000 1.175 184 A CA 2.038 54.165 52.037 0.149 0.000 0.628 184 A CB -0.427 18.634 19.000 0.102 0.000 0.814 184 A HN 0.518 nan 8.150 nan 0.000 0.444 185 E N -0.236 120.042 120.200 0.129 0.000 2.150 185 E HA -0.122 4.227 4.350 -0.001 0.000 0.193 185 E C 1.798 178.471 176.600 0.123 0.000 0.985 185 E CA 1.011 57.478 56.400 0.113 0.000 0.814 185 E CB -0.170 29.587 29.700 0.095 0.000 0.752 185 E HN 0.683 nan 8.360 nan 0.000 0.466 186 I N 0.301 120.968 120.570 0.161 0.000 2.353 186 I HA -0.174 3.996 4.170 -0.001 0.000 0.248 186 I C 2.158 178.365 176.117 0.151 0.000 1.119 186 I CA 0.489 61.907 61.300 0.196 0.000 1.417 186 I CB -0.227 37.924 38.000 0.252 0.000 1.078 186 I HN 0.179 nan 8.210 nan 0.000 0.421 187 F N 2.139 122.114 119.950 0.042 0.000 2.186 187 F HA -0.121 4.405 4.527 -0.002 0.000 0.299 187 F C 2.454 178.198 175.800 -0.094 0.000 1.090 187 F CA 1.113 59.092 58.000 -0.035 0.000 1.307 187 F CB -0.312 38.695 39.000 0.013 0.000 1.019 187 F HN -0.017 nan 8.300 nan 0.000 0.489 188 A N 0.078 122.847 122.820 -0.085 0.000 1.978 188 A HA -0.211 4.108 4.320 -0.001 0.000 0.220 188 A C 2.130 179.575 177.584 -0.231 0.000 1.170 188 A CA 1.900 53.850 52.037 -0.143 0.000 0.636 188 A CB -0.807 18.208 19.000 0.024 0.000 0.810 188 A HN 0.573 nan 8.150 nan 0.000 0.448 189 E N -0.549 119.544 120.200 -0.178 0.000 2.072 189 E HA -0.155 4.194 4.350 -0.001 0.000 0.191 189 E C 2.026 178.371 176.600 -0.426 0.000 0.985 189 E CA 1.085 57.425 56.400 -0.101 0.000 0.801 189 E CB -0.286 29.482 29.700 0.113 0.000 0.750 189 E HN 0.693 nan 8.360 nan 0.000 0.452 190 L N 0.895 121.478 121.223 -1.066 0.000 2.012 190 L HA -0.196 4.143 4.340 -0.001 0.000 0.210 190 L C 2.313 178.602 176.870 -0.967 0.000 1.073 190 L CA 1.121 54.942 54.840 -1.699 0.000 0.748 190 L CB -0.154 40.935 42.059 -1.617 0.000 0.891 190 L HN -0.018 nan 8.230 nan 0.000 0.431 191 V N 0.504 119.889 119.914 -0.882 0.000 2.332 191 V HA -0.304 3.815 4.120 -0.001 0.000 0.248 191 V C 2.877 178.733 176.094 -0.398 0.000 1.055 191 V CA 1.742 63.637 62.300 -0.675 0.000 1.038 191 V CB -1.090 30.378 31.823 -0.591 0.000 0.651 191 V HN 0.644 nan 8.190 nan 0.000 0.450 192 A N -1.485 121.180 122.820 -0.258 0.000 1.930 192 A HA -0.227 4.093 4.320 -0.001 0.000 0.217 192 A C 2.094 179.599 177.584 -0.131 0.000 1.175 192 A CA 1.605 53.561 52.037 -0.135 0.000 0.627 192 A CB -0.745 18.227 19.000 -0.047 0.000 0.815 192 A HN 0.697 nan 8.150 nan 0.000 0.443 193 H N -0.885 118.033 119.070 -0.254 0.000 2.395 193 H HA -0.007 4.548 4.556 -0.001 0.000 0.299 193 H C 2.551 177.693 175.328 -0.310 0.000 1.070 193 H CA 1.051 57.006 56.048 -0.154 0.000 1.356 193 H CB 0.015 29.799 29.762 0.036 0.000 1.401 193 H HN 0.563 nan 8.280 nan 0.000 0.524 194 A N 1.419 123.964 122.820 -0.457 0.000 1.898 194 A HA -0.162 4.157 4.320 -0.001 0.000 0.216 194 A C 2.419 179.754 177.584 -0.414 0.000 1.181 194 A CA 1.043 52.625 52.037 -0.758 0.000 0.620 194 A CB -0.353 18.046 19.000 -1.001 0.000 0.819 194 A HN 0.301 nan 8.150 nan 0.000 0.442 195 R N -0.885 119.442 120.500 -0.289 0.000 2.081 195 R HA -0.097 4.242 4.340 -0.001 0.000 0.235 195 R C 2.273 178.493 176.300 -0.134 0.000 1.131 195 R CA 1.893 57.889 56.100 -0.174 0.000 0.960 195 R CB -0.750 29.475 30.300 -0.125 0.000 0.856 195 R HN 0.535 nan 8.270 nan 0.000 0.436 196 T N 1.803 116.276 114.554 -0.136 0.000 2.746 196 T HA -0.126 4.223 4.350 -0.001 0.000 0.267 196 T C 1.802 176.455 174.700 -0.079 0.000 1.039 196 T CA 1.045 63.087 62.100 -0.098 0.000 1.142 196 T CB -0.168 68.634 68.868 -0.110 0.000 0.866 196 T HN 0.203 nan 8.240 nan 0.000 0.444 197 L N 0.456 121.618 121.223 -0.102 0.000 2.046 197 L HA -0.022 4.317 4.340 -0.001 0.000 0.208 197 L C 2.238 179.073 176.870 -0.059 0.000 1.077 197 L CA 1.416 56.217 54.840 -0.064 0.000 0.747 197 L CB -0.305 41.703 42.059 -0.084 0.000 0.896 197 L HN 0.249 nan 8.230 nan 0.000 0.432 198 I N -0.025 120.486 120.570 -0.097 0.000 2.226 198 I HA -0.268 3.901 4.170 -0.001 0.000 0.245 198 I C 2.750 178.848 176.117 -0.032 0.000 1.100 198 I CA 1.104 62.369 61.300 -0.057 0.000 1.374 198 I CB -0.555 37.404 38.000 -0.069 0.000 1.057 198 I HN 0.338 nan 8.210 nan 0.000 0.413 199 A N 0.415 123.212 122.820 -0.039 0.000 1.933 199 A HA -0.253 4.066 4.320 -0.001 0.000 0.218 199 A C 2.211 179.786 177.584 -0.015 0.000 1.175 199 A CA 2.005 54.028 52.037 -0.024 0.000 0.628 199 A CB -0.496 18.487 19.000 -0.028 0.000 0.814 199 A HN 0.417 nan 8.150 nan 0.000 0.444 200 E N 0.073 120.264 120.200 -0.016 0.000 2.047 200 E HA -0.160 4.189 4.350 -0.001 0.000 0.191 200 E C 2.078 178.679 176.600 0.002 0.000 0.987 200 E CA 1.233 57.631 56.400 -0.004 0.000 0.799 200 E CB -0.164 29.537 29.700 0.001 0.000 0.752 200 E HN 0.354 nan 8.360 nan 0.000 0.449 201 R N 0.187 120.689 120.500 0.004 0.000 2.189 201 R HA -0.021 4.318 4.340 -0.001 0.000 0.223 201 R C 2.283 178.586 176.300 0.005 0.000 1.092 201 R CA 1.058 57.163 56.100 0.009 0.000 0.989 201 R CB -0.651 29.658 30.300 0.015 0.000 0.876 201 R HN 0.111 nan 8.270 nan 0.000 0.457 202 R N 0.701 121.201 120.500 0.001 0.000 2.091 202 R HA -0.099 4.240 4.340 -0.001 0.000 0.238 202 R C 1.961 178.262 176.300 0.001 0.000 1.136 202 R CA 2.334 58.434 56.100 0.001 0.000 0.959 202 R CB -0.459 29.841 30.300 -0.001 0.000 0.856 202 R HN 0.391 nan 8.270 nan 0.000 0.437 203 T N -4.095 110.459 114.554 0.001 0.000 3.015 203 T HA 0.149 4.498 4.350 -0.001 0.000 0.250 203 T C 0.521 175.223 174.700 0.003 0.000 1.057 203 T CA 0.149 62.250 62.100 0.002 0.000 1.066 203 T CB 0.072 68.940 68.868 0.001 0.000 0.959 203 T HN 0.058 nan 8.240 nan 0.000 0.488 204 N N 2.669 121.372 118.700 0.005 0.000 2.813 204 N HA 0.431 5.171 4.740 -0.001 0.000 0.282 204 N C -3.157 172.359 175.510 0.009 0.000 1.748 204 N CA -1.883 51.172 53.050 0.007 0.000 0.860 204 N CB 0.974 39.466 38.487 0.010 0.000 1.204 204 N HN 0.200 nan 8.380 nan 0.000 0.490 205 P HA 0.157 nan 4.420 nan 0.000 0.264 205 P C 0.350 177.656 177.300 0.009 0.000 1.193 205 P CA 0.071 63.175 63.100 0.006 0.000 0.763 205 P CB 0.989 32.690 31.700 0.001 0.000 0.810 206 G N 1.682 110.489 108.800 0.012 0.000 3.107 206 G HA2 0.166 4.126 3.960 -0.001 0.000 0.232 206 G HA3 0.166 4.126 3.960 -0.001 0.000 0.232 206 G C 0.167 175.073 174.900 0.009 0.000 1.339 206 G CA -0.501 44.608 45.100 0.015 0.000 1.033 206 G HN 0.527 nan 8.290 nan 0.000 0.567 207 N N -0.233 118.475 118.700 0.013 0.000 2.236 207 N HA 0.031 4.771 4.740 -0.001 0.000 0.196 207 N C -0.101 175.415 175.510 0.010 0.000 1.114 207 N CA -0.217 52.835 53.050 0.004 0.000 0.859 207 N CB 0.210 38.698 38.487 0.002 0.000 0.982 207 N HN 0.619 nan 8.380 nan 0.000 0.493 208 D N 0.387 120.801 120.400 0.023 0.000 2.398 208 D HA -0.034 4.605 4.640 -0.001 0.000 0.247 208 D C 1.682 177.989 176.300 0.011 0.000 1.227 208 D CA -0.433 53.585 54.000 0.030 0.000 0.980 208 D CB 1.057 41.884 40.800 0.046 0.000 1.106 208 D HN -0.139 nan 8.370 nan 0.000 0.493 209 I N -0.382 120.194 120.570 0.010 0.000 2.315 209 I HA -0.218 3.951 4.170 -0.001 0.000 0.248 209 I C 2.370 178.488 176.117 0.002 0.000 1.117 209 I CA 0.804 62.101 61.300 -0.006 0.000 1.404 209 I CB -0.975 37.034 38.000 0.015 0.000 1.071 209 I HN 0.358 nan 8.210 nan 0.000 0.419 210 M N 0.866 120.498 119.600 0.053 0.000 2.065 210 M HA -0.150 4.330 4.480 -0.001 0.000 0.259 210 M C 2.574 178.887 176.300 0.022 0.000 1.069 210 M CA 1.541 56.884 55.300 0.072 0.000 1.110 210 M CB -1.399 31.288 32.600 0.144 0.000 1.328 210 M HN 0.170 nan 8.290 nan 0.000 0.405 211 S N -0.061 115.652 115.700 0.022 0.000 2.380 211 S HA -0.217 4.252 4.470 -0.001 0.000 0.229 211 S C 1.941 176.531 174.600 -0.017 0.000 1.043 211 S CA 1.687 59.891 58.200 0.006 0.000 1.038 211 S CB -0.500 62.705 63.200 0.008 0.000 0.872 211 S HN 0.422 nan 8.310 nan 0.000 0.456 212 R N 1.055 121.536 120.500 -0.031 0.000 2.082 212 R HA -0.140 4.199 4.340 -0.001 0.000 0.234 212 R C 2.405 178.652 176.300 -0.088 0.000 1.136 212 R CA 2.103 58.169 56.100 -0.056 0.000 0.935 212 R CB -0.623 29.639 30.300 -0.064 0.000 0.842 212 R HN 0.454 nan 8.270 nan 0.000 0.430 213 V N -1.196 118.636 119.914 -0.137 0.000 2.515 213 V HA -0.143 3.976 4.120 -0.001 0.000 0.250 213 V C 2.237 178.278 176.094 -0.088 0.000 1.058 213 V CA 1.632 63.807 62.300 -0.208 0.000 1.064 213 V CB -0.681 30.870 31.823 -0.454 0.000 0.675 213 V HN 0.293 nan 8.190 nan 0.000 0.461 214 I N -0.305 120.242 120.570 -0.037 0.000 2.361 214 I HA -0.158 4.011 4.170 -0.001 0.000 0.251 214 I C 2.504 178.616 176.117 -0.009 0.000 1.133 214 I CA 1.615 62.914 61.300 -0.001 0.000 1.413 214 I CB -0.262 37.742 38.000 0.007 0.000 1.073 214 I HN 0.292 nan 8.210 nan 0.000 0.424 215 M N -0.374 119.212 119.600 -0.023 0.000 2.502 215 M HA 0.127 4.606 4.480 -0.001 0.000 0.243 215 M C 1.044 177.326 176.300 -0.030 0.000 1.130 215 M CA 0.398 55.685 55.300 -0.022 0.000 1.055 215 M CB -0.674 31.914 32.600 -0.021 0.000 1.457 215 M HN -0.008 nan 8.290 nan 0.000 0.488 216 S N 1.287 116.958 115.700 -0.047 0.000 2.617 216 S HA 0.379 4.848 4.470 -0.001 0.000 0.259 216 S C 0.295 174.868 174.600 -0.045 0.000 1.301 216 S CA -0.206 57.959 58.200 -0.058 0.000 0.984 216 S CB 1.044 64.186 63.200 -0.096 0.000 0.954 216 S HN 0.223 nan 8.310 nan 0.000 0.572 217 K N 0.588 120.956 120.400 -0.053 0.000 2.543 217 K HA 0.462 4.781 4.320 -0.001 0.000 0.255 217 K C -1.536 175.026 176.600 -0.064 0.000 0.934 217 K CA -0.311 55.949 56.287 -0.045 0.000 0.810 217 K CB 1.774 34.257 32.500 -0.027 0.000 1.315 217 K HN 0.421 nan 8.250 nan 0.000 0.433 218 I N 3.104 123.632 120.570 -0.070 0.000 2.390 218 I HA 0.146 4.315 4.170 -0.001 0.000 0.283 218 I C -0.676 175.419 176.117 -0.037 0.000 1.016 218 I CA -0.280 60.970 61.300 -0.084 0.000 1.151 218 I CB 1.216 39.120 38.000 -0.160 0.000 1.293 218 I HN 0.712 nan 8.210 nan 0.000 0.458 219 D N 5.052 125.437 120.400 -0.025 0.000 2.809 219 D HA -0.149 4.490 4.640 -0.001 0.000 0.234 219 D C 1.044 177.340 176.300 -0.006 0.000 1.111 219 D CA 1.251 55.246 54.000 -0.009 0.000 0.726 219 D CB -1.177 39.624 40.800 0.002 0.000 1.089 219 D HN 1.090 nan 8.370 nan 0.000 0.436 220 G N -0.347 108.446 108.800 -0.011 0.000 2.196 220 G HA2 -0.352 3.607 3.960 -0.001 0.000 0.268 220 G HA3 -0.352 3.607 3.960 -0.001 0.000 0.268 220 G C 0.143 175.041 174.900 -0.003 0.000 0.975 220 G CA 1.065 46.161 45.100 -0.007 0.000 0.648 220 G HN 0.538 nan 8.290 nan 0.000 0.538 221 E N 0.254 120.452 120.200 -0.003 0.000 2.238 221 E HA 0.682 5.031 4.350 -0.001 0.000 0.267 221 E C 0.293 176.895 176.600 0.004 0.000 0.887 221 E CA -0.320 56.083 56.400 0.005 0.000 0.769 221 E CB 1.258 30.967 29.700 0.015 0.000 1.187 221 E HN 0.124 nan 8.360 nan 0.000 0.416 222 S N 2.081 117.788 115.700 0.012 0.000 2.584 222 S HA 0.191 4.660 4.470 -0.001 0.000 0.270 222 S C -0.250 174.375 174.600 0.042 0.000 1.346 222 S CA -0.520 57.691 58.200 0.018 0.000 1.018 222 S CB 0.231 63.444 63.200 0.021 0.000 0.899 222 S HN 0.345 nan 8.310 nan 0.000 0.542 223 L N 2.191 123.451 121.223 0.061 0.000 2.417 223 L HA 0.260 4.599 4.340 -0.001 0.000 0.268 223 L C 0.967 177.914 176.870 0.128 0.000 1.158 223 L CA 0.184 55.097 54.840 0.122 0.000 0.819 223 L CB 0.378 42.554 42.059 0.194 0.000 1.112 223 L HN 0.779 nan 8.230 nan 0.000 0.458 224 S N 0.431 116.222 115.700 0.152 0.000 2.585 224 S HA 0.085 4.554 4.470 -0.001 0.000 0.273 224 S C 0.994 175.681 174.600 0.146 0.000 1.339 224 S CA -0.359 57.918 58.200 0.129 0.000 1.028 224 S CB 0.533 63.809 63.200 0.127 0.000 0.906 224 S HN 0.732 nan 8.310 nan 0.000 0.528 225 E N 1.216 121.486 120.200 0.118 0.000 2.160 225 E HA -0.257 4.092 4.350 -0.001 0.000 0.195 225 E C 0.812 177.506 176.600 0.158 0.000 0.991 225 E CA 1.880 58.345 56.400 0.109 0.000 0.810 225 E CB -0.324 29.423 29.700 0.078 0.000 0.742 225 E HN 0.857 nan 8.360 nan 0.000 0.466 226 D N 0.279 120.811 120.400 0.221 0.000 2.144 226 D HA -0.142 4.497 4.640 -0.001 0.000 0.200 226 D C 1.433 177.907 176.300 0.291 0.000 0.978 226 D CA 1.271 55.488 54.000 0.361 0.000 0.833 226 D CB 0.004 40.982 40.800 0.297 0.000 0.961 226 D HN 0.178 nan 8.370 nan 0.000 0.470 227 D N -0.112 120.426 120.400 0.231 0.000 2.149 227 D HA -0.040 4.600 4.640 -0.001 0.000 0.201 227 D C 2.116 178.587 176.300 0.286 0.000 0.972 227 D CA 0.435 54.569 54.000 0.224 0.000 0.835 227 D CB -0.122 40.892 40.800 0.357 0.000 0.966 227 D HN 0.224 nan 8.370 nan 0.000 0.476 228 L N 0.337 121.746 121.223 0.310 0.000 2.083 228 L HA -0.089 4.250 4.340 -0.001 0.000 0.209 228 L C 2.382 179.405 176.870 0.256 0.000 1.083 228 L CA 0.685 55.731 54.840 0.345 0.000 0.752 228 L CB -0.245 41.929 42.059 0.192 0.000 0.899 228 L HN 0.019 nan 8.230 nan 0.000 0.433 229 I N -0.231 120.398 120.570 0.098 0.000 2.493 229 I HA -0.165 4.004 4.170 -0.001 0.000 0.254 229 I C 2.518 178.684 176.117 0.082 0.000 1.160 229 I CA 1.147 62.422 61.300 -0.041 0.000 1.445 229 I CB -0.641 37.110 38.000 -0.415 0.000 1.086 229 I HN 0.264 nan 8.210 nan 0.000 0.433 230 G N 0.366 109.229 108.800 0.105 0.000 2.403 230 G HA2 -0.194 3.765 3.960 -0.001 0.000 0.216 230 G HA3 -0.194 3.765 3.960 -0.001 0.000 0.216 230 G C 1.551 176.479 174.900 0.046 0.000 1.154 230 G CA 0.320 45.453 45.100 0.056 0.000 0.784 230 G HN 0.251 nan 8.290 nan 0.000 0.538 231 F N -0.424 119.630 119.950 0.175 0.000 2.113 231 F HA 0.088 4.614 4.527 -0.001 0.000 0.297 231 F C 2.249 178.160 175.800 0.186 0.000 1.103 231 F CA 0.870 58.975 58.000 0.176 0.000 1.248 231 F CB -0.246 38.868 39.000 0.192 0.000 0.999 231 F HN 0.148 nan 8.300 nan 0.000 0.475 232 F N 0.959 121.049 119.950 0.234 0.000 2.126 232 F HA -0.246 4.280 4.527 -0.001 0.000 0.299 232 F C 2.380 178.239 175.800 0.100 0.000 1.096 232 F CA 2.101 60.175 58.000 0.125 0.000 1.255 232 F CB -0.826 38.197 39.000 0.039 0.000 0.997 232 F HN -0.180 nan 8.300 nan 0.000 0.479 233 T N 1.167 115.861 114.554 0.233 0.000 2.737 233 T HA -0.177 4.172 4.350 -0.001 0.000 0.265 233 T C 2.180 176.933 174.700 0.089 0.000 1.038 233 T CA 1.635 63.830 62.100 0.157 0.000 1.144 233 T CB -0.550 68.473 68.868 0.259 0.000 0.866 233 T HN 0.393 nan 8.240 nan 0.000 0.434 234 I N 0.372 120.998 120.570 0.095 0.000 2.286 234 I HA -0.129 4.040 4.170 -0.001 0.000 0.248 234 I C 1.933 178.079 176.117 0.047 0.000 1.115 234 I CA 1.118 62.459 61.300 0.069 0.000 1.392 234 I CB -0.011 38.015 38.000 0.045 0.000 1.065 234 I HN 0.150 nan 8.210 nan 0.000 0.418 235 L N -0.024 121.231 121.223 0.053 0.000 2.093 235 L HA -0.183 4.157 4.340 -0.001 0.000 0.208 235 L C 2.190 179.038 176.870 -0.038 0.000 1.085 235 L CA 1.382 56.244 54.840 0.037 0.000 0.755 235 L CB -0.685 41.434 42.059 0.100 0.000 0.904 235 L HN 0.270 nan 8.230 nan 0.000 0.435 236 L N -1.146 120.002 121.223 -0.125 0.000 2.046 236 L HA -0.210 4.129 4.340 -0.001 0.000 0.208 236 L C 2.292 179.149 176.870 -0.021 0.000 1.077 236 L CA 1.689 56.440 54.840 -0.147 0.000 0.747 236 L CB -0.340 41.585 42.059 -0.223 0.000 0.896 236 L HN 0.159 nan 8.230 nan 0.000 0.432 237 L N -0.804 120.435 121.223 0.027 0.000 2.017 237 L HA -0.156 4.184 4.340 -0.001 0.000 0.208 237 L C 2.576 179.473 176.870 0.046 0.000 1.073 237 L CA 1.383 56.261 54.840 0.063 0.000 0.745 237 L CB -1.482 40.647 42.059 0.116 0.000 0.894 237 L HN 0.458 nan 8.230 nan 0.000 0.432 238 G N -0.480 108.337 108.800 0.028 0.000 2.469 238 G HA2 -0.221 3.739 3.960 -0.001 0.000 0.219 238 G HA3 -0.221 3.739 3.960 -0.001 0.000 0.219 238 G C 1.492 176.399 174.900 0.010 0.000 1.150 238 G CA 0.925 46.032 45.100 0.012 0.000 0.763 238 G HN 0.510 nan 8.290 nan 0.000 0.561 239 G N 0.863 109.666 108.800 0.005 0.000 2.473 239 G HA2 -0.014 3.945 3.960 -0.001 0.000 0.212 239 G HA3 -0.014 3.945 3.960 -0.001 0.000 0.212 239 G C 1.604 176.507 174.900 0.004 0.000 1.211 239 G CA 0.755 45.853 45.100 -0.002 0.000 0.813 239 G HN 0.236 nan 8.290 nan 0.000 0.541 240 I N 1.583 122.160 120.570 0.012 0.000 2.361 240 I HA -0.049 4.120 4.170 -0.001 0.000 0.251 240 I C 1.999 178.135 176.117 0.033 0.000 1.133 240 I CA 1.198 62.516 61.300 0.030 0.000 1.413 240 I CB -0.728 37.309 38.000 0.061 0.000 1.073 240 I HN 0.172 nan 8.210 nan 0.000 0.424 241 D N 0.478 120.900 120.400 0.036 0.000 2.628 241 D HA -0.055 4.584 4.640 -0.001 0.000 0.258 241 D C 1.751 178.062 176.300 0.019 0.000 1.165 241 D CA 0.817 54.838 54.000 0.034 0.000 0.991 241 D CB -0.104 40.720 40.800 0.041 0.000 1.104 241 D HN 0.014 nan 8.370 nan 0.000 0.438 242 N N -0.196 118.520 118.700 0.027 0.000 2.011 242 N HA -0.148 4.591 4.740 -0.001 0.000 0.199 242 N C 1.789 177.323 175.510 0.040 0.000 1.047 242 N CA 2.438 55.503 53.050 0.025 0.000 0.863 242 N CB -0.990 37.505 38.487 0.014 0.000 1.056 242 N HN 0.224 nan 8.380 nan 0.000 0.427 243 T N 0.368 114.944 114.554 0.036 0.000 2.746 243 T HA -0.072 4.277 4.350 -0.001 0.000 0.267 243 T C 1.956 176.678 174.700 0.037 0.000 1.039 243 T CA 1.411 63.550 62.100 0.066 0.000 1.142 243 T CB -0.571 68.318 68.868 0.035 0.000 0.866 243 T HN 0.388 nan 8.240 nan 0.000 0.444 244 A N 2.072 124.885 122.820 -0.011 0.000 1.902 244 A HA -0.125 4.194 4.320 -0.001 0.000 0.217 244 A C 2.435 179.959 177.584 -0.100 0.000 1.181 244 A CA 1.098 53.098 52.037 -0.062 0.000 0.623 244 A CB -0.345 18.625 19.000 -0.049 0.000 0.818 244 A HN 0.220 nan 8.150 nan 0.000 0.443 245 R N -1.417 119.038 120.500 -0.076 0.000 2.075 245 R HA -0.075 4.265 4.340 -0.001 0.000 0.232 245 R C 2.003 178.241 176.300 -0.103 0.000 1.126 245 R CA 1.391 57.408 56.100 -0.139 0.000 0.963 245 R CB -1.229 28.981 30.300 -0.150 0.000 0.858 245 R HN 0.684 nan 8.270 nan 0.000 0.435 246 F N 1.667 121.532 119.950 -0.142 0.000 2.046 246 F HA -0.191 4.335 4.527 -0.001 0.000 0.297 246 F C 2.164 177.849 175.800 -0.191 0.000 1.123 246 F CA 1.429 59.365 58.000 -0.106 0.000 1.199 246 F CB -0.255 38.708 39.000 -0.063 0.000 0.972 246 F HN -0.124 nan 8.300 nan 0.000 0.474 247 L N -0.221 120.723 121.223 -0.466 0.000 2.079 247 L HA -0.252 4.087 4.340 -0.001 0.000 0.210 247 L C 2.498 178.855 176.870 -0.856 0.000 1.081 247 L CA 1.392 55.734 54.840 -0.831 0.000 0.752 247 L CB -0.846 40.821 42.059 -0.653 0.000 0.896 247 L HN 0.179 nan 8.230 nan 0.000 0.433 248 S N -0.812 114.614 115.700 -0.458 0.000 2.368 248 S HA -0.152 4.317 4.470 -0.001 0.000 0.224 248 S C 2.200 176.702 174.600 -0.163 0.000 1.029 248 S CA 1.447 59.504 58.200 -0.239 0.000 0.988 248 S CB -0.096 63.007 63.200 -0.162 0.000 0.838 248 S HN 0.349 nan 8.310 nan 0.000 0.462 249 S N 1.113 116.654 115.700 -0.264 0.000 2.382 249 S HA -0.058 4.412 4.470 -0.001 0.000 0.228 249 S C 2.020 176.427 174.600 -0.321 0.000 1.027 249 S CA 0.921 58.984 58.200 -0.227 0.000 0.991 249 S CB -0.374 62.676 63.200 -0.250 0.000 0.823 249 S HN 0.308 nan 8.310 nan 0.000 0.469 250 V N 1.355 120.961 119.914 -0.513 0.000 2.261 250 V HA -0.183 3.936 4.120 -0.001 0.000 0.246 250 V C 1.853 177.909 176.094 -0.063 0.000 1.047 250 V CA 1.764 63.811 62.300 -0.421 0.000 1.015 250 V CB -0.837 30.591 31.823 -0.658 0.000 0.642 250 V HN 0.519 nan 8.190 nan 0.000 0.446 251 F N -1.376 118.531 119.950 -0.072 0.000 2.126 251 F HA -0.284 4.242 4.527 -0.002 0.000 0.299 251 F C 2.334 178.274 175.800 0.233 0.000 1.096 251 F CA 1.790 59.841 58.000 0.085 0.000 1.255 251 F CB -0.427 38.523 39.000 -0.083 0.000 0.997 251 F HN 0.329 nan 8.300 nan 0.000 0.479 252 W N 1.794 123.225 121.300 0.219 0.000 2.333 252 W HA -0.271 4.387 4.660 -0.003 0.000 0.316 252 W C 2.654 179.290 176.519 0.195 0.000 1.215 252 W CA 1.889 59.379 57.345 0.242 0.000 1.278 252 W CB -0.460 29.119 29.460 0.199 0.000 1.154 252 W HN -0.190 nan 8.180 nan 0.000 0.486 253 R N 0.632 121.132 120.500 -0.001 0.000 2.091 253 R HA -0.153 4.186 4.340 -0.001 0.000 0.238 253 R C 2.242 178.112 176.300 -0.717 0.000 1.136 253 R CA 2.298 58.074 56.100 -0.540 0.000 0.959 253 R CB -1.222 28.977 30.300 -0.169 0.000 0.856 253 R HN 0.407 nan 8.270 nan 0.000 0.437 254 L N -0.208 120.875 121.223 -0.233 0.000 2.275 254 L HA -0.034 4.305 4.340 -0.001 0.000 0.215 254 L C 2.357 179.030 176.870 -0.328 0.000 1.119 254 L CA 1.017 55.765 54.840 -0.154 0.000 0.790 254 L CB -0.520 41.682 42.059 0.239 0.000 0.919 254 L HN 0.317 nan 8.230 nan 0.000 0.443 255 A N 0.558 123.274 122.820 -0.173 0.000 1.930 255 A HA -0.190 4.129 4.320 -0.001 0.000 0.217 255 A C 2.058 179.458 177.584 -0.308 0.000 1.175 255 A CA 1.536 53.408 52.037 -0.276 0.000 0.627 255 A CB -0.568 18.551 19.000 0.199 0.000 0.815 255 A HN 0.730 nan 8.150 nan 0.000 0.443 256 W N -1.280 119.796 121.300 -0.372 0.000 2.808 256 W HA 0.241 4.902 4.660 0.001 0.000 0.266 256 W C -0.392 175.969 176.519 -0.263 0.000 1.247 256 W CA 0.454 57.607 57.345 -0.320 0.000 1.440 256 W CB -0.276 28.964 29.460 -0.367 0.000 1.040 256 W HN 0.273 nan 8.180 nan 0.000 0.606 257 D N 3.713 123.563 120.400 -0.917 0.000 2.517 257 D HA 0.056 4.695 4.640 -0.001 0.000 0.220 257 D C 1.712 177.768 176.300 -0.406 0.000 1.158 257 D CA -0.086 53.428 54.000 -0.810 0.000 0.992 257 D CB -0.239 39.824 40.800 -1.230 0.000 1.058 257 D HN 0.363 nan 8.370 nan 0.000 0.516 258 I N -0.369 120.065 120.570 -0.227 0.000 2.567 258 I HA -0.106 4.063 4.170 -0.001 0.000 0.257 258 I C 1.657 177.690 176.117 -0.140 0.000 1.184 258 I CA 0.785 61.976 61.300 -0.182 0.000 1.451 258 I CB 0.004 37.934 38.000 -0.118 0.000 1.089 258 I HN 0.164 nan 8.210 nan 0.000 0.441 259 E N 1.532 121.656 120.200 -0.126 0.000 2.033 259 E HA -0.192 4.157 4.350 -0.001 0.000 0.189 259 E C 2.149 178.691 176.600 -0.097 0.000 0.979 259 E CA 1.110 57.458 56.400 -0.087 0.000 0.802 259 E CB -0.099 29.563 29.700 -0.063 0.000 0.763 259 E HN 0.475 nan 8.360 nan 0.000 0.449 260 L N 1.401 122.536 121.223 -0.146 0.000 2.042 260 L HA -0.168 4.172 4.340 -0.001 0.000 0.210 260 L C 2.354 179.164 176.870 -0.100 0.000 1.076 260 L CA 1.902 56.665 54.840 -0.128 0.000 0.749 260 L CB -0.509 41.435 42.059 -0.191 0.000 0.893 260 L HN 0.051 nan 8.230 nan 0.000 0.432 261 R N -0.060 120.356 120.500 -0.141 0.000 2.073 261 R HA -0.209 4.130 4.340 -0.001 0.000 0.234 261 R C 2.494 178.753 176.300 -0.068 0.000 1.134 261 R CA 1.920 57.955 56.100 -0.108 0.000 0.952 261 R CB -0.249 29.943 30.300 -0.179 0.000 0.850 261 R HN 0.611 nan 8.270 nan 0.000 0.433 262 R N -0.173 120.285 120.500 -0.071 0.000 2.115 262 R HA -0.079 4.260 4.340 -0.001 0.000 0.230 262 R C 2.107 178.397 176.300 -0.018 0.000 1.111 262 R CA 1.244 57.316 56.100 -0.047 0.000 0.976 262 R CB -0.414 29.858 30.300 -0.046 0.000 0.870 262 R HN 0.165 nan 8.270 nan 0.000 0.445 263 R N 0.891 121.393 120.500 0.003 0.000 2.092 263 R HA 0.044 4.384 4.340 -0.001 0.000 0.231 263 R C 2.357 178.707 176.300 0.084 0.000 1.119 263 R CA 1.373 57.515 56.100 0.070 0.000 0.970 263 R CB -0.344 29.994 30.300 0.064 0.000 0.864 263 R HN 0.251 nan 8.270 nan 0.000 0.440 264 L N 0.324 121.572 121.223 0.041 0.000 2.141 264 L HA -0.136 4.203 4.340 -0.001 0.000 0.209 264 L C 2.290 179.178 176.870 0.030 0.000 1.094 264 L CA 1.134 56.005 54.840 0.051 0.000 0.763 264 L CB -0.344 41.738 42.059 0.039 0.000 0.908 264 L HN 0.203 nan 8.230 nan 0.000 0.437 265 I N -0.037 120.532 120.570 -0.002 0.000 2.353 265 I HA -0.200 3.969 4.170 -0.001 0.000 0.248 265 I C 2.691 178.774 176.117 -0.057 0.000 1.119 265 I CA 1.058 62.343 61.300 -0.025 0.000 1.417 265 I CB -0.315 37.662 38.000 -0.037 0.000 1.078 265 I HN 0.163 nan 8.210 nan 0.000 0.421 266 A N -0.855 121.912 122.820 -0.089 0.000 2.016 266 A HA -0.072 4.248 4.320 -0.001 0.000 0.217 266 A C 1.073 178.405 177.584 -0.421 0.000 1.162 266 A CA 1.050 52.948 52.037 -0.231 0.000 0.662 266 A CB -0.238 18.614 19.000 -0.247 0.000 0.812 266 A HN 0.401 nan 8.150 nan 0.000 0.450 267 H N -1.282 117.788 119.070 0.000 0.000 2.336 267 H HA 0.222 4.777 4.556 -0.002 0.000 0.230 267 H C -2.161 173.175 175.328 0.013 0.000 1.426 267 H CA -1.632 54.420 56.048 0.006 0.000 1.359 267 H CB 0.529 30.295 29.762 0.006 0.000 1.555 267 H HN 0.254 nan 8.280 nan 0.000 0.512 268 P HA -0.208 nan 4.420 nan 0.000 0.217 268 P C 1.724 179.071 177.300 0.077 0.000 1.148 268 P CA 1.186 64.324 63.100 0.062 0.000 0.828 268 P CB 0.389 32.110 31.700 0.034 0.000 0.783 269 E N 0.111 120.365 120.200 0.091 0.000 2.338 269 E HA -0.132 4.217 4.350 -0.001 0.000 0.197 269 E C 1.536 178.181 176.600 0.076 0.000 1.007 269 E CA 0.941 57.388 56.400 0.079 0.000 0.849 269 E CB -0.999 28.749 29.700 0.081 0.000 0.774 269 E HN 0.326 nan 8.360 nan 0.000 0.506 270 L N 0.554 121.831 121.223 0.090 0.000 2.607 270 L HA 0.209 4.549 4.340 -0.001 0.000 0.228 270 L C 2.264 179.177 176.870 0.072 0.000 1.123 270 L CA -0.159 54.720 54.840 0.066 0.000 0.890 270 L CB -0.066 42.021 42.059 0.048 0.000 1.103 270 L HN 0.030 nan 8.230 nan 0.000 0.468 271 I N 0.864 121.482 120.570 0.079 0.000 2.226 271 I HA -0.206 3.963 4.170 -0.001 0.000 0.245 271 I C -0.344 175.827 176.117 0.089 0.000 1.100 271 I CA 1.445 62.794 61.300 0.082 0.000 1.374 271 I CB -1.185 36.864 38.000 0.081 0.000 1.057 271 I HN 0.220 nan 8.210 nan 0.000 0.413 272 P HA -0.136 nan 4.420 nan 0.000 0.215 272 P C 1.203 178.562 177.300 0.098 0.000 1.153 272 P CA 1.502 64.658 63.100 0.092 0.000 0.853 272 P CB -0.052 31.697 31.700 0.081 0.000 0.788 273 N N -0.886 117.865 118.700 0.084 0.000 2.188 273 N HA -0.112 4.627 4.740 -0.001 0.000 0.184 273 N C 1.601 177.167 175.510 0.093 0.000 1.018 273 N CA 1.248 54.348 53.050 0.084 0.000 0.858 273 N CB -0.664 37.861 38.487 0.063 0.000 0.989 273 N HN -0.049 nan 8.380 nan 0.000 0.426 274 A N -0.327 122.545 122.820 0.088 0.000 1.930 274 A HA -0.044 4.275 4.320 -0.001 0.000 0.217 274 A C 2.307 179.970 177.584 0.131 0.000 1.175 274 A CA 1.098 53.190 52.037 0.091 0.000 0.627 274 A CB -0.719 18.327 19.000 0.077 0.000 0.815 274 A HN 0.147 nan 8.150 nan 0.000 0.443 275 V N 0.447 120.449 119.914 0.146 0.000 2.343 275 V HA -0.252 3.867 4.120 -0.001 0.000 0.247 275 V C 2.328 178.542 176.094 0.200 0.000 1.051 275 V CA 2.478 64.900 62.300 0.204 0.000 1.036 275 V CB -0.702 31.232 31.823 0.185 0.000 0.654 275 V HN 0.602 nan 8.190 nan 0.000 0.451 276 D N -0.364 120.132 120.400 0.160 0.000 2.144 276 D HA -0.176 4.463 4.640 -0.001 0.000 0.200 276 D C 2.154 178.529 176.300 0.125 0.000 0.978 276 D CA 1.211 55.315 54.000 0.173 0.000 0.833 276 D CB -0.004 40.918 40.800 0.203 0.000 0.961 276 D HN 0.477 nan 8.370 nan 0.000 0.470 277 E N -0.245 120.031 120.200 0.128 0.000 2.106 277 E HA -0.055 4.294 4.350 -0.001 0.000 0.192 277 E C 2.079 178.756 176.600 0.128 0.000 0.984 277 E CA 0.747 57.206 56.400 0.098 0.000 0.806 277 E CB -0.285 29.460 29.700 0.076 0.000 0.750 277 E HN 0.326 nan 8.360 nan 0.000 0.458 278 L N -0.104 121.250 121.223 0.218 0.000 2.156 278 L HA -0.076 4.263 4.340 -0.001 0.000 0.208 278 L C 2.374 179.545 176.870 0.502 0.000 1.095 278 L CA 0.555 55.639 54.840 0.407 0.000 0.770 278 L CB -0.271 42.037 42.059 0.414 0.000 0.914 278 L HN 0.208 nan 8.230 nan 0.000 0.439 279 L N -0.513 120.826 121.223 0.195 0.000 2.056 279 L HA -0.213 4.126 4.340 -0.001 0.000 0.207 279 L C 2.868 179.521 176.870 -0.362 0.000 1.078 279 L CA 1.181 55.879 54.840 -0.235 0.000 0.749 279 L CB -0.416 41.345 42.059 -0.496 0.000 0.901 279 L HN 0.249 nan 8.230 nan 0.000 0.433 280 R N -0.415 119.799 120.500 -0.476 0.000 2.083 280 R HA -0.236 4.103 4.340 -0.001 0.000 0.237 280 R C 2.333 178.533 176.300 -0.165 0.000 1.137 280 R CA 1.938 57.793 56.100 -0.409 0.000 0.951 280 R CB -0.334 29.809 30.300 -0.262 0.000 0.851 280 R HN 0.216 nan 8.270 nan 0.000 0.434 281 F N -0.861 118.981 119.950 -0.180 0.000 2.234 281 F HA -0.076 4.450 4.527 -0.002 0.000 0.296 281 F C 0.891 176.542 175.800 -0.247 0.000 1.089 281 F CA 1.037 58.882 58.000 -0.260 0.000 1.343 281 F CB 0.297 39.116 39.000 -0.302 0.000 1.040 281 F HN 0.031 nan 8.300 nan 0.000 0.498 282 Y N -0.189 120.348 120.300 0.395 0.000 2.584 282 Y HA 0.348 4.897 4.550 -0.002 0.000 0.254 282 Y C 1.205 177.350 175.900 0.408 0.000 1.177 282 Y CA -0.538 57.852 58.100 0.483 0.000 1.216 282 Y CB -0.351 38.432 38.460 0.538 0.000 1.172 282 Y HN -0.128 nan 8.280 nan 0.000 0.529 283 G N 2.045 111.005 108.800 0.268 0.000 2.225 283 G HA2 0.076 4.035 3.960 -0.001 0.000 0.245 283 G HA3 0.076 4.035 3.960 -0.001 0.000 0.245 283 G C -1.752 173.254 174.900 0.178 0.000 1.249 283 G CA -0.590 44.560 45.100 0.084 0.000 0.919 283 G HN 0.171 nan 8.290 nan 0.000 0.486 284 P HA 0.070 nan 4.420 nan 0.000 0.217 284 P C 1.233 178.576 177.300 0.071 0.000 1.154 284 P CA 1.101 64.271 63.100 0.116 0.000 0.841 284 P CB 0.259 32.000 31.700 0.067 0.000 0.788 285 A N 0.052 122.910 122.820 0.064 0.000 2.386 285 A HA 0.518 4.838 4.320 -0.001 0.000 0.248 285 A C 0.026 177.672 177.584 0.104 0.000 1.082 285 A CA 0.506 52.584 52.037 0.069 0.000 0.789 285 A CB -0.339 18.721 19.000 0.101 0.000 1.025 285 A HN 0.019 nan 8.150 nan 0.000 0.490 286 M N 1.687 121.251 119.600 -0.060 0.000 2.284 286 M HA 0.406 4.885 4.480 -0.001 0.000 0.281 286 M C -1.001 175.073 176.300 -0.377 0.000 1.083 286 M CA -0.498 54.599 55.300 -0.338 0.000 0.965 286 M CB 2.314 34.599 32.600 -0.525 0.000 1.717 286 M HN 0.694 nan 8.290 nan 0.000 0.479 287 V N -0.270 119.331 119.914 -0.521 0.000 2.960 287 V HA 1.103 5.222 4.120 -0.001 0.000 0.315 287 V C -0.122 175.773 176.094 -0.331 0.000 1.087 287 V CA -0.518 61.578 62.300 -0.340 0.000 0.982 287 V CB 1.677 33.371 31.823 -0.215 0.000 1.039 287 V HN 0.903 nan 8.190 nan 0.000 0.437 288 G N 1.435 110.088 108.800 -0.244 0.000 2.537 288 G HA2 0.790 4.749 3.960 -0.001 0.000 0.323 288 G HA3 0.790 4.749 3.960 -0.001 0.000 0.323 288 G C -1.009 173.786 174.900 -0.176 0.000 1.207 288 G CA -1.004 43.977 45.100 -0.198 0.000 0.976 288 G HN 0.672 nan 8.290 nan 0.000 0.487 289 R N -0.375 120.047 120.500 -0.130 0.000 2.604 289 R HA 0.322 4.661 4.340 -0.001 0.000 0.281 289 R C -1.558 174.766 176.300 0.041 0.000 1.020 289 R CA -0.924 55.153 56.100 -0.039 0.000 0.899 289 R CB 1.907 32.189 30.300 -0.030 0.000 1.205 289 R HN 0.445 nan 8.270 nan 0.000 0.450 290 L N 2.993 124.242 121.223 0.044 0.000 2.276 290 L HA 0.319 4.659 4.340 -0.001 0.000 0.286 290 L C -0.537 176.380 176.870 0.077 0.000 1.061 290 L CA -0.338 54.522 54.840 0.034 0.000 0.807 290 L CB 1.355 43.414 42.059 -0.001 0.000 1.177 290 L HN 0.330 nan 8.230 nan 0.000 0.429 291 V N 4.966 124.917 119.914 0.061 0.000 2.508 291 V HA 0.207 4.326 4.120 -0.001 0.000 0.281 291 V C 1.239 177.277 176.094 -0.094 0.000 1.041 291 V CA 0.626 62.876 62.300 -0.084 0.000 1.016 291 V CB 0.758 32.551 31.823 -0.050 0.000 0.984 291 V HN 0.999 nan 8.190 nan 0.000 0.478 292 T N 0.765 115.224 114.554 -0.157 0.000 3.003 292 T HA 0.245 4.594 4.350 -0.001 0.000 0.261 292 T C 0.239 174.870 174.700 -0.115 0.000 1.003 292 T CA -0.086 61.955 62.100 -0.099 0.000 0.917 292 T CB 0.291 69.117 68.868 -0.071 0.000 1.084 292 T HN 0.573 nan 8.240 nan 0.000 0.522 293 Q N 0.907 120.599 119.800 -0.181 0.000 2.309 293 Q HA 0.293 4.632 4.340 -0.001 0.000 0.273 293 Q C -1.482 174.406 176.000 -0.186 0.000 1.040 293 Q CA -0.505 55.205 55.803 -0.155 0.000 0.834 293 Q CB 2.458 31.106 28.738 -0.150 0.000 1.345 293 Q HN 0.449 nan 8.270 nan 0.000 0.414 294 E N 1.798 121.925 120.200 -0.122 0.000 2.502 294 E HA 0.182 4.531 4.350 -0.001 0.000 0.261 294 E C -1.501 175.009 176.600 -0.149 0.000 0.974 294 E CA 0.148 56.481 56.400 -0.112 0.000 0.936 294 E CB 0.882 30.539 29.700 -0.071 0.000 0.926 294 E HN 0.357 nan 8.360 nan 0.000 0.459 295 V N 3.676 123.489 119.914 -0.169 0.000 2.969 295 V HA 0.326 4.445 4.120 -0.001 0.000 0.304 295 V C -1.190 174.827 176.094 -0.129 0.000 1.192 295 V CA -0.466 61.735 62.300 -0.165 0.000 0.962 295 V CB 2.687 34.341 31.823 -0.282 0.000 1.045 295 V HN 0.766 nan 8.190 nan 0.000 0.428 296 T N 5.494 119.992 114.554 -0.094 0.000 2.771 296 T HA 0.686 5.035 4.350 -0.001 0.000 0.281 296 T C -0.806 173.851 174.700 -0.072 0.000 0.982 296 T CA -0.312 61.728 62.100 -0.101 0.000 0.978 296 T CB 1.304 70.121 68.868 -0.085 0.000 0.930 296 T HN 0.638 nan 8.240 nan 0.000 0.447 297 V N 3.332 123.182 119.914 -0.105 0.000 2.443 297 V HA 0.742 4.861 4.120 -0.001 0.000 0.293 297 V C 0.882 176.903 176.094 -0.122 0.000 1.021 297 V CA -0.022 62.230 62.300 -0.081 0.000 0.848 297 V CB 0.743 32.529 31.823 -0.063 0.000 0.998 297 V HN 1.229 nan 8.190 nan 0.000 0.424 298 G N 4.960 113.708 108.800 -0.087 0.000 2.550 298 G HA2 -0.251 3.708 3.960 -0.001 0.000 0.277 298 G HA3 -0.251 3.708 3.960 -0.001 0.000 0.277 298 G C 0.278 175.120 174.900 -0.097 0.000 1.190 298 G CA 0.590 45.639 45.100 -0.086 0.000 0.971 298 G HN 0.641 nan 8.290 nan 0.000 0.559 299 D N 0.370 120.706 120.400 -0.107 0.000 2.349 299 D HA 0.225 4.864 4.640 -0.001 0.000 0.215 299 D C 0.924 177.140 176.300 -0.140 0.000 1.016 299 D CA 0.465 54.405 54.000 -0.100 0.000 0.870 299 D CB 0.203 40.956 40.800 -0.078 0.000 0.917 299 D HN 0.288 nan 8.370 nan 0.000 0.524 300 I N 0.624 121.062 120.570 -0.220 0.000 2.385 300 I HA 0.135 4.304 4.170 -0.001 0.000 0.294 300 I C 0.344 176.246 176.117 -0.358 0.000 0.988 300 I CA -0.185 60.897 61.300 -0.364 0.000 1.265 300 I CB 1.759 39.355 38.000 -0.673 0.000 1.388 300 I HN -0.361 nan 8.210 nan 0.000 0.480 301 T N 7.384 121.755 114.554 -0.306 0.000 2.772 301 T HA 0.573 4.922 4.350 -0.001 0.000 0.288 301 T C -0.056 174.522 174.700 -0.204 0.000 0.994 301 T CA -0.563 61.412 62.100 -0.208 0.000 0.951 301 T CB 0.556 69.362 68.868 -0.103 0.000 0.933 301 T HN 0.332 nan 8.240 nan 0.000 0.447 302 M N 3.020 122.492 119.600 -0.213 0.000 2.367 302 M HA 0.491 4.970 4.480 -0.001 0.000 0.339 302 M C 0.016 176.338 176.300 0.038 0.000 1.177 302 M CA -0.770 54.507 55.300 -0.040 0.000 1.068 302 M CB 1.550 34.071 32.600 -0.131 0.000 1.602 302 M HN 0.299 nan 8.290 nan 0.000 0.457 303 K N 1.532 122.028 120.400 0.160 0.000 2.208 303 K HA 0.570 4.890 4.320 -0.001 0.000 0.247 303 K C -2.658 173.976 176.600 0.058 0.000 0.953 303 K CA -1.878 54.454 56.287 0.075 0.000 0.837 303 K CB 0.947 33.499 32.500 0.086 0.000 1.131 303 K HN 0.230 nan 8.250 nan 0.000 0.431 304 P HA -0.059 nan 4.420 nan 0.000 0.264 304 P C 0.536 177.856 177.300 0.032 0.000 1.193 304 P CA 1.062 64.159 63.100 -0.006 0.000 0.763 304 P CB 0.539 32.227 31.700 -0.021 0.000 0.810 305 G N 1.703 110.524 108.800 0.035 0.000 2.254 305 G HA2 -0.215 3.744 3.960 -0.001 0.000 0.225 305 G HA3 -0.215 3.744 3.960 -0.001 0.000 0.225 305 G C 0.144 175.093 174.900 0.082 0.000 1.003 305 G CA -0.363 44.768 45.100 0.052 0.000 0.622 305 G HN 0.556 nan 8.290 nan 0.000 0.507 306 Q N 0.595 120.473 119.800 0.129 0.000 2.317 306 Q HA 0.604 4.943 4.340 -0.001 0.000 0.229 306 Q C -0.333 175.736 176.000 0.114 0.000 0.984 306 Q CA 0.327 56.241 55.803 0.185 0.000 0.911 306 Q CB 1.036 30.003 28.738 0.383 0.000 1.217 306 Q HN 0.205 nan 8.270 nan 0.000 0.501 307 T N 0.523 115.076 114.554 -0.002 0.000 2.856 307 T HA 0.635 4.984 4.350 -0.001 0.000 0.283 307 T C -1.190 173.512 174.700 0.002 0.000 1.008 307 T CA -0.636 61.358 62.100 -0.178 0.000 0.997 307 T CB 1.441 69.803 68.868 -0.842 0.000 0.992 307 T HN 0.622 nan 8.240 nan 0.000 0.454 308 A N 3.743 126.598 122.820 0.057 0.000 2.318 308 A HA 0.764 5.084 4.320 -0.001 0.000 0.317 308 A C -0.448 177.148 177.584 0.020 0.000 1.159 308 A CA -0.750 51.379 52.037 0.153 0.000 0.799 308 A CB 0.700 19.792 19.000 0.153 0.000 1.194 308 A HN 0.651 nan 8.150 nan 0.000 0.479 309 M N 3.011 122.699 119.600 0.146 0.000 2.157 309 M HA 0.336 4.815 4.480 -0.001 0.000 0.354 309 M C -0.744 175.619 176.300 0.105 0.000 1.170 309 M CA -0.423 54.944 55.300 0.112 0.000 1.060 309 M CB 0.728 33.556 32.600 0.380 0.000 1.615 309 M HN 0.561 nan 8.290 nan 0.000 0.460 310 L N 3.515 124.631 121.223 -0.179 0.000 2.268 310 L HA 0.191 4.530 4.340 -0.001 0.000 0.289 310 L C -0.657 175.974 176.870 -0.399 0.000 1.064 310 L CA -0.416 54.225 54.840 -0.331 0.000 0.824 310 L CB 0.271 41.931 42.059 -0.664 0.000 1.202 310 L HN 0.637 nan 8.230 nan 0.000 0.433 311 W N 4.015 125.117 121.300 -0.330 0.000 1.606 311 W HA 0.256 4.915 4.660 -0.002 0.000 0.455 311 W C 1.075 177.494 176.519 -0.165 0.000 0.711 311 W CA -0.678 56.515 57.345 -0.254 0.000 1.876 311 W CB -0.662 28.701 29.460 -0.162 0.000 1.776 311 W HN 0.470 nan 8.180 nan 0.000 0.229 312 F N 2.115 122.042 119.950 -0.039 0.000 2.115 312 F HA -0.261 4.265 4.527 -0.002 0.000 0.300 312 F C -0.015 175.737 175.800 -0.081 0.000 1.092 312 F CA 0.830 58.803 58.000 -0.046 0.000 1.245 312 F CB -1.590 37.373 39.000 -0.061 0.000 0.995 312 F HN 0.066 nan 8.300 nan 0.000 0.481 313 P HA -0.190 nan 4.420 nan 0.000 0.219 313 P C 1.511 178.682 177.300 -0.215 0.000 1.146 313 P CA 1.283 64.268 63.100 -0.192 0.000 0.808 313 P CB -0.044 31.366 31.700 -0.483 0.000 0.779 314 I N -0.915 119.569 120.570 -0.144 0.000 2.400 314 I HA -0.047 4.122 4.170 -0.001 0.000 0.248 314 I C 2.196 178.346 176.117 0.053 0.000 1.109 314 I CA 1.156 62.410 61.300 -0.076 0.000 1.425 314 I CB -1.956 36.020 38.000 -0.040 0.000 1.094 314 I HN -0.105 nan 8.210 nan 0.000 0.425 315 A N 0.546 123.456 122.820 0.149 0.000 1.972 315 A HA -0.132 4.187 4.320 -0.001 0.000 0.219 315 A C 2.414 180.232 177.584 0.388 0.000 1.169 315 A CA 1.712 53.928 52.037 0.297 0.000 0.635 315 A CB -0.698 18.489 19.000 0.312 0.000 0.810 315 A HN 0.400 nan 8.150 nan 0.000 0.446 316 S N -0.895 114.921 115.700 0.193 0.000 2.603 316 S HA 0.012 4.481 4.470 -0.001 0.000 0.229 316 S C 1.455 175.928 174.600 -0.211 0.000 0.972 316 S CA 0.646 58.834 58.200 -0.020 0.000 0.935 316 S CB -0.143 62.979 63.200 -0.131 0.000 0.769 316 S HN 0.595 nan 8.310 nan 0.000 0.536 317 R N 0.709 121.199 120.500 -0.017 0.000 2.543 317 R HA 0.173 4.512 4.340 -0.001 0.000 0.323 317 R C -0.463 175.907 176.300 0.115 0.000 1.002 317 R CA -0.185 55.911 56.100 -0.006 0.000 1.106 317 R CB 0.367 30.625 30.300 -0.069 0.000 1.280 317 R HN 0.154 nan 8.270 nan 0.000 0.549 318 D N 1.389 121.920 120.400 0.219 0.000 2.401 318 D HA -0.006 4.633 4.640 -0.001 0.000 0.254 318 D C 0.733 177.115 176.300 0.137 0.000 1.192 318 D CA 0.304 54.406 54.000 0.170 0.000 0.885 318 D CB 0.844 41.754 40.800 0.184 0.000 1.147 318 D HN 0.098 nan 8.370 nan 0.000 0.478 319 R N 1.496 122.042 120.500 0.078 0.000 2.189 319 R HA -0.095 4.245 4.340 -0.001 0.000 0.223 319 R C 1.990 178.283 176.300 -0.012 0.000 1.092 319 R CA 1.042 57.172 56.100 0.051 0.000 0.989 319 R CB 0.001 30.325 30.300 0.040 0.000 0.876 319 R HN 0.415 nan 8.270 nan 0.000 0.457 320 S N -0.635 115.041 115.700 -0.040 0.000 2.562 320 S HA 0.121 4.591 4.470 -0.001 0.000 0.221 320 S C 1.598 176.060 174.600 -0.231 0.000 0.975 320 S CA 0.503 58.647 58.200 -0.094 0.000 0.918 320 S CB 0.639 63.805 63.200 -0.055 0.000 0.772 320 S HN 0.308 nan 8.310 nan 0.000 0.531 321 A N 0.021 122.627 122.820 -0.356 0.000 2.138 321 A HA 0.634 4.953 4.320 -0.001 0.000 0.203 321 A C 0.041 177.000 177.584 -1.041 0.000 1.286 321 A CA -0.144 51.389 52.037 -0.841 0.000 0.929 321 A CB 0.336 18.473 19.000 -1.439 0.000 0.975 321 A HN 0.448 nan 8.150 nan 0.000 0.480 322 F N 1.078 120.930 119.950 -0.163 0.000 2.539 322 F HA 0.429 4.956 4.527 -0.001 0.000 0.318 322 F C -1.049 174.727 175.800 -0.040 0.000 1.135 322 F CA -1.299 56.652 58.000 -0.081 0.000 0.915 322 F CB 1.447 40.424 39.000 -0.039 0.000 1.176 322 F HN -0.106 nan 8.300 nan 0.000 0.440 323 D N 1.413 121.876 120.400 0.106 0.000 2.389 323 D HA 0.173 4.812 4.640 -0.001 0.000 0.247 323 D C 0.222 176.583 176.300 0.102 0.000 1.128 323 D CA 0.387 54.430 54.000 0.072 0.000 0.884 323 D CB 1.066 41.890 40.800 0.039 0.000 1.194 323 D HN 0.588 nan 8.370 nan 0.000 0.441 324 S N 1.968 117.716 115.700 0.081 0.000 3.524 324 S HA -0.118 4.351 4.470 -0.001 0.000 0.377 324 S C -1.417 173.247 174.600 0.106 0.000 0.949 324 S CA 0.106 58.353 58.200 0.079 0.000 1.264 324 S CB -0.600 62.635 63.200 0.058 0.000 0.918 324 S HN 0.555 nan 8.310 nan 0.000 0.517 325 P HA -0.079 nan 4.420 nan 0.000 0.222 325 P C 0.584 177.991 177.300 0.179 0.000 1.147 325 P CA 0.953 64.135 63.100 0.137 0.000 0.790 325 P CB 0.092 31.873 31.700 0.134 0.000 0.780 326 D N -0.548 119.959 120.400 0.179 0.000 2.340 326 D HA 0.054 4.693 4.640 -0.001 0.000 0.220 326 D C 0.097 176.525 176.300 0.214 0.000 1.039 326 D CA 0.366 54.532 54.000 0.276 0.000 0.866 326 D CB -0.331 40.578 40.800 0.182 0.000 0.913 326 D HN 0.311 nan 8.370 nan 0.000 0.523 327 N N -0.066 118.681 118.700 0.078 0.000 2.361 327 N HA 0.355 5.094 4.740 -0.001 0.000 0.302 327 N C -0.361 175.030 175.510 -0.198 0.000 1.074 327 N CA -0.508 52.499 53.050 -0.070 0.000 0.850 327 N CB 2.230 40.708 38.487 -0.015 0.000 1.228 327 N HN -0.128 nan 8.380 nan 0.000 0.491 328 I N 2.193 122.550 120.570 -0.356 0.000 2.278 328 I HA 0.097 4.267 4.170 -0.001 0.000 0.296 328 I C -0.513 175.523 176.117 -0.135 0.000 1.121 328 I CA -0.398 60.709 61.300 -0.322 0.000 1.267 328 I CB 0.121 37.885 38.000 -0.394 0.000 1.447 328 I HN 0.188 nan 8.210 nan 0.000 0.509 329 V N 7.649 127.524 119.914 -0.065 0.000 2.322 329 V HA 0.079 4.198 4.120 -0.001 0.000 0.258 329 V C 1.414 177.506 176.094 -0.004 0.000 1.074 329 V CA -0.299 61.987 62.300 -0.022 0.000 0.909 329 V CB 0.696 32.524 31.823 0.009 0.000 1.090 329 V HN 0.697 nan 8.190 nan 0.000 0.486 330 I N 2.013 122.576 120.570 -0.012 0.000 2.567 330 I HA -0.116 4.053 4.170 -0.001 0.000 0.257 330 I C 1.841 177.969 176.117 0.017 0.000 1.184 330 I CA 1.548 62.853 61.300 0.008 0.000 1.451 330 I CB -0.091 37.912 38.000 0.005 0.000 1.089 330 I HN 0.674 nan 8.210 nan 0.000 0.441 331 E N 2.634 122.837 120.200 0.004 0.000 2.465 331 E HA -0.028 4.321 4.350 -0.001 0.000 0.191 331 E C 0.729 177.344 176.600 0.025 0.000 1.053 331 E CA -0.389 56.013 56.400 0.003 0.000 0.869 331 E CB -0.285 29.401 29.700 -0.024 0.000 0.977 331 E HN 0.561 nan 8.360 nan 0.000 0.483 332 R N 1.245 121.771 120.500 0.044 0.000 2.480 332 R HA 0.085 4.424 4.340 -0.001 0.000 0.303 332 R C -0.922 175.425 176.300 0.079 0.000 0.985 332 R CA 0.863 57.004 56.100 0.069 0.000 1.051 332 R CB 0.241 30.601 30.300 0.100 0.000 0.935 332 R HN 0.050 nan 8.270 nan 0.000 0.410 333 T N 5.879 120.472 114.554 0.066 0.000 3.579 333 T HA 0.292 4.641 4.350 -0.001 0.000 0.360 333 T C -2.367 172.358 174.700 0.041 0.000 1.285 333 T CA -1.200 60.936 62.100 0.061 0.000 1.127 333 T CB 0.940 69.837 68.868 0.049 0.000 1.244 333 T HN 0.679 nan 8.240 nan 0.000 0.476 334 P HA 0.456 nan 4.420 nan 0.000 0.274 334 P C -1.001 176.357 177.300 0.097 0.000 1.260 334 P CA -0.474 62.657 63.100 0.052 0.000 0.793 334 P CB 0.527 32.242 31.700 0.025 0.000 1.048 335 N N 0.290 119.067 118.700 0.129 0.000 2.710 335 N HA 0.094 4.833 4.740 -0.001 0.000 0.244 335 N C -0.677 174.967 175.510 0.223 0.000 1.321 335 N CA -0.296 52.912 53.050 0.262 0.000 0.758 335 N CB 0.441 39.086 38.487 0.263 0.000 1.284 335 N HN 0.248 nan 8.380 nan 0.000 0.530 336 R N 2.006 122.639 120.500 0.221 0.000 4.680 336 R HA 0.114 4.453 4.340 -0.001 0.000 0.222 336 R C 0.108 176.620 176.300 0.353 0.000 1.803 336 R CA -0.481 55.698 56.100 0.132 0.000 1.560 336 R CB -0.763 29.571 30.300 0.056 0.000 1.412 336 R HN 0.568 nan 8.270 nan 0.000 0.815 337 H N -1.791 117.526 119.070 0.411 0.000 2.660 337 H HA 0.115 4.670 4.556 -0.001 0.000 0.374 337 H C 0.607 175.998 175.328 0.105 0.000 1.291 337 H CA -0.600 55.639 56.048 0.318 0.000 1.437 337 H CB 0.731 30.502 29.762 0.016 0.000 1.509 337 H HN 0.107 nan 8.280 nan 0.000 0.614 338 L N 1.064 122.388 121.223 0.168 0.000 2.818 338 L HA 0.179 4.518 4.340 -0.001 0.000 0.243 338 L C 1.335 177.876 176.870 -0.548 0.000 1.185 338 L CA -0.015 54.677 54.840 -0.246 0.000 0.988 338 L CB 0.159 42.012 42.059 -0.344 0.000 1.292 338 L HN 0.659 nan 8.230 nan 0.000 0.519 339 S N 0.433 116.099 115.700 -0.058 0.000 2.442 339 S HA -0.012 4.457 4.470 -0.001 0.000 0.236 339 S C 1.488 175.945 174.600 -0.239 0.000 1.007 339 S CA 1.024 59.101 58.200 -0.205 0.000 0.965 339 S CB -0.010 63.055 63.200 -0.225 0.000 0.773 339 S HN 0.412 nan 8.310 nan 0.000 0.504 340 L N 0.780 121.900 121.223 -0.173 0.000 2.910 340 L HA 0.338 4.677 4.340 -0.001 0.000 0.252 340 L C 1.134 177.881 176.870 -0.205 0.000 1.195 340 L CA -0.219 54.524 54.840 -0.160 0.000 1.003 340 L CB -0.366 41.640 42.059 -0.087 0.000 1.328 340 L HN 0.404 nan 8.230 nan 0.000 0.540 341 G N 0.222 108.777 108.800 -0.408 0.000 2.693 341 G HA2 -0.244 3.715 3.960 -0.001 0.000 0.226 341 G HA3 -0.244 3.715 3.960 -0.001 0.000 0.226 341 G C -0.802 174.040 174.900 -0.096 0.000 1.354 341 G CA -0.374 44.552 45.100 -0.290 0.000 0.873 341 G HN 0.403 nan 8.290 nan 0.000 0.562 342 H N -0.436 118.570 119.070 -0.108 0.000 3.114 342 H HA 0.555 5.111 4.556 -0.001 0.000 0.325 342 H C 0.558 175.865 175.328 -0.035 0.000 1.206 342 H CA 1.208 57.205 56.048 -0.085 0.000 1.316 342 H CB 1.209 30.906 29.762 -0.109 0.000 1.981 342 H HN 2.751 nan 8.280 nan 0.000 0.527 343 G N 2.701 111.167 108.800 -0.556 0.000 2.484 343 G HA2 -0.251 3.708 3.960 -0.001 0.000 0.225 343 G HA3 -0.251 3.708 3.960 -0.001 0.000 0.225 343 G C 1.243 176.041 174.900 -0.170 0.000 1.250 343 G CA 0.279 45.206 45.100 -0.288 0.000 0.926 343 G HN 0.921 nan 8.290 nan 0.000 0.581 344 I N -2.450 118.038 120.570 -0.137 0.000 2.493 344 I HA 0.108 4.277 4.170 -0.001 0.000 0.254 344 I C 1.860 177.837 176.117 -0.233 0.000 1.160 344 I CA 2.274 63.468 61.300 -0.178 0.000 1.445 344 I CB -0.275 37.567 38.000 -0.262 0.000 1.086 344 I HN 0.456 nan 8.210 nan 0.000 0.433 345 H N 0.712 119.734 119.070 -0.081 0.000 2.520 345 H HA 0.334 4.889 4.556 -0.001 0.000 0.284 345 H C 0.485 175.797 175.328 -0.027 0.000 1.037 345 H CA -0.495 55.528 56.048 -0.043 0.000 1.168 345 H CB 0.054 29.753 29.762 -0.104 0.000 1.497 345 H HN 0.234 nan 8.280 nan 0.000 0.547 346 R N 0.954 121.464 120.500 0.017 0.000 2.566 346 R HA -0.071 4.268 4.340 -0.001 0.000 0.273 346 R C -0.198 176.073 176.300 -0.047 0.000 0.981 346 R CA -0.100 55.976 56.100 -0.041 0.000 1.091 346 R CB 0.072 30.310 30.300 -0.104 0.000 0.924 346 R HN 0.390 nan 8.270 nan 0.000 0.411 347 C N 6.343 125.598 119.300 -0.075 0.000 2.106 347 C HA -0.104 4.355 4.460 -0.001 0.000 0.402 347 C C 2.085 176.984 174.990 -0.152 0.000 1.548 347 C CA -0.183 58.773 59.018 -0.104 0.000 1.432 347 C CB -1.320 26.349 27.740 -0.119 0.000 2.584 347 C HN 0.885 nan 8.230 nan 0.000 0.604 348 L N 6.194 127.310 121.223 -0.179 0.000 2.131 348 L HA 0.146 4.485 4.340 -0.001 0.000 0.210 348 L C 2.177 178.848 176.870 -0.332 0.000 1.092 348 L CA 2.455 57.129 54.840 -0.277 0.000 0.759 348 L CB -0.604 41.196 42.059 -0.431 0.000 0.903 348 L HN 0.855 nan 8.230 nan 0.000 0.435 349 G N -1.907 106.723 108.800 -0.284 0.000 3.181 349 G HA2 0.194 4.153 3.960 -0.001 0.000 0.219 349 G HA3 0.194 4.153 3.960 -0.001 0.000 0.219 349 G C 1.471 176.336 174.900 -0.058 0.000 1.182 349 G CA 0.436 45.472 45.100 -0.107 0.000 0.791 349 G HN 0.575 nan 8.290 nan 0.000 0.537 350 A N 1.179 123.892 122.820 -0.179 0.000 1.884 350 A HA -0.194 4.125 4.320 -0.001 0.000 0.219 350 A C 1.981 179.492 177.584 -0.122 0.000 1.197 350 A CA 2.055 53.967 52.037 -0.208 0.000 0.637 350 A CB -0.755 18.045 19.000 -0.333 0.000 0.827 350 A HN 0.564 nan 8.150 nan 0.000 0.450 351 H N -1.529 117.594 119.070 0.088 0.000 2.357 351 H HA -0.021 4.534 4.556 -0.001 0.000 0.301 351 H C 1.968 177.372 175.328 0.125 0.000 1.082 351 H CA 1.146 57.256 56.048 0.102 0.000 1.342 351 H CB -0.176 29.654 29.762 0.113 0.000 1.389 351 H HN 0.409 nan 8.280 nan 0.000 0.511 352 L N 0.694 122.077 121.223 0.268 0.000 2.046 352 L HA -0.153 4.186 4.340 -0.001 0.000 0.208 352 L C 1.753 178.710 176.870 0.146 0.000 1.077 352 L CA 1.313 56.293 54.840 0.233 0.000 0.747 352 L CB -0.422 41.803 42.059 0.277 0.000 0.896 352 L HN 0.219 nan 8.230 nan 0.000 0.432 353 I N -0.202 120.427 120.570 0.098 0.000 2.208 353 I HA -0.270 3.899 4.170 -0.001 0.000 0.245 353 I C 2.702 178.870 176.117 0.086 0.000 1.097 353 I CA 1.373 62.709 61.300 0.060 0.000 1.363 353 I CB -1.352 36.638 38.000 -0.018 0.000 1.051 353 I HN 0.341 nan 8.210 nan 0.000 0.413 354 R N 0.034 120.590 120.500 0.093 0.000 2.073 354 R HA -0.112 4.227 4.340 -0.001 0.000 0.234 354 R C 2.365 178.739 176.300 0.124 0.000 1.134 354 R CA 1.301 57.469 56.100 0.113 0.000 0.952 354 R CB -0.485 29.888 30.300 0.121 0.000 0.850 354 R HN 0.208 nan 8.270 nan 0.000 0.433 355 V N 1.052 121.045 119.914 0.132 0.000 2.295 355 V HA -0.243 3.876 4.120 -0.001 0.000 0.246 355 V C 2.290 178.451 176.094 0.112 0.000 1.049 355 V CA 1.961 64.336 62.300 0.124 0.000 1.024 355 V CB -0.508 31.401 31.823 0.144 0.000 0.648 355 V HN 0.393 nan 8.190 nan 0.000 0.447 356 E N 0.291 120.556 120.200 0.107 0.000 2.085 356 E HA -0.244 4.105 4.350 -0.001 0.000 0.194 356 E C 2.212 178.860 176.600 0.080 0.000 0.994 356 E CA 1.489 57.937 56.400 0.081 0.000 0.801 356 E CB -0.221 29.515 29.700 0.060 0.000 0.743 356 E HN 0.572 nan 8.360 nan 0.000 0.453 357 A N 1.298 124.184 122.820 0.111 0.000 1.898 357 A HA -0.161 4.158 4.320 -0.001 0.000 0.216 357 A C 2.179 179.827 177.584 0.106 0.000 1.181 357 A CA 1.389 53.499 52.037 0.121 0.000 0.620 357 A CB -0.513 18.640 19.000 0.255 0.000 0.819 357 A HN 0.223 nan 8.150 nan 0.000 0.442 358 R N -0.206 120.362 120.500 0.112 0.000 2.083 358 R HA -0.117 4.222 4.340 -0.001 0.000 0.237 358 R C 1.921 178.276 176.300 0.092 0.000 1.137 358 R CA 2.012 58.174 56.100 0.102 0.000 0.951 358 R CB -0.458 29.900 30.300 0.097 0.000 0.851 358 R HN 0.291 nan 8.270 nan 0.000 0.434 359 V N 1.186 121.151 119.914 0.085 0.000 2.295 359 V HA -0.218 3.901 4.120 -0.001 0.000 0.246 359 V C 2.565 178.707 176.094 0.080 0.000 1.049 359 V CA 1.890 64.235 62.300 0.075 0.000 1.024 359 V CB -0.859 31.006 31.823 0.070 0.000 0.648 359 V HN 0.568 nan 8.190 nan 0.000 0.447 360 A N 0.185 123.054 122.820 0.083 0.000 1.865 360 A HA -0.216 4.103 4.320 -0.001 0.000 0.217 360 A C 2.190 179.895 177.584 0.203 0.000 1.191 360 A CA 2.245 54.349 52.037 0.112 0.000 0.623 360 A CB -0.621 18.426 19.000 0.080 0.000 0.826 360 A HN 0.503 nan 8.150 nan 0.000 0.444 361 I N -0.643 120.046 120.570 0.197 0.000 2.179 361 I HA -0.228 3.941 4.170 -0.001 0.000 0.242 361 I C 2.633 178.856 176.117 0.176 0.000 1.088 361 I CA 1.771 63.221 61.300 0.250 0.000 1.357 361 I CB -0.787 37.314 38.000 0.168 0.000 1.051 361 I HN 0.271 nan 8.210 nan 0.000 0.409 362 T N 0.308 114.932 114.554 0.116 0.000 2.684 362 T HA -0.159 4.190 4.350 -0.001 0.000 0.267 362 T C 1.809 176.543 174.700 0.057 0.000 1.036 362 T CA 1.329 63.474 62.100 0.074 0.000 1.148 362 T CB -0.179 68.726 68.868 0.063 0.000 0.863 362 T HN 0.305 nan 8.240 nan 0.000 0.436 363 E N 0.525 120.766 120.200 0.068 0.000 2.107 363 E HA 0.001 4.350 4.350 -0.001 0.000 0.191 363 E C 1.899 178.525 176.600 0.044 0.000 0.982 363 E CA 0.507 56.932 56.400 0.042 0.000 0.809 363 E CB -0.482 29.239 29.700 0.035 0.000 0.756 363 E HN 0.448 nan 8.360 nan 0.000 0.459 364 F N 1.744 121.610 119.950 -0.140 0.000 2.102 364 F HA -0.118 4.408 4.527 -0.002 0.000 0.298 364 F C 2.059 177.712 175.800 -0.244 0.000 1.105 364 F CA 1.143 58.970 58.000 -0.289 0.000 1.239 364 F CB -0.459 38.313 39.000 -0.381 0.000 0.991 364 F HN -0.090 nan 8.300 nan 0.000 0.474 365 L N -0.111 120.979 121.223 -0.221 0.000 2.217 365 L HA -0.163 4.176 4.340 -0.001 0.000 0.211 365 L C 2.503 179.274 176.870 -0.165 0.000 1.107 365 L CA 1.252 55.941 54.840 -0.251 0.000 0.783 365 L CB -0.684 41.328 42.059 -0.080 0.000 0.919 365 L HN 0.127 nan 8.230 nan 0.000 0.442 366 K N 0.045 120.385 120.400 -0.100 0.000 2.057 366 K HA -0.125 4.195 4.320 -0.001 0.000 0.206 366 K C 2.352 178.901 176.600 -0.085 0.000 1.050 366 K CA 0.953 57.201 56.287 -0.066 0.000 0.935 366 K CB 0.188 32.670 32.500 -0.029 0.000 0.715 366 K HN 0.117 nan 8.250 nan 0.000 0.439 367 R N 0.084 120.517 120.500 -0.112 0.000 2.100 367 R HA 0.117 4.457 4.340 -0.001 0.000 0.220 367 R C 0.718 176.910 176.300 -0.179 0.000 1.091 367 R CA 0.801 56.835 56.100 -0.110 0.000 0.986 367 R CB 0.156 30.409 30.300 -0.079 0.000 0.888 367 R HN 0.234 nan 8.270 nan 0.000 0.444 368 I N 2.706 123.072 120.570 -0.339 0.000 2.782 368 I HA 0.148 4.317 4.170 -0.001 0.000 0.279 368 I C -1.760 174.167 176.117 -0.317 0.000 1.247 368 I CA -1.402 59.649 61.300 -0.416 0.000 1.062 368 I CB 2.228 39.753 38.000 -0.792 0.000 1.421 368 I HN -0.154 nan 8.210 nan 0.000 0.558 369 P HA -0.050 nan 4.420 nan 0.000 0.222 369 P C 0.091 177.428 177.300 0.062 0.000 1.153 369 P CA 1.083 64.164 63.100 -0.032 0.000 0.798 369 P CB 0.487 32.163 31.700 -0.040 0.000 0.796 370 E N 0.321 120.588 120.200 0.112 0.000 2.165 370 E HA 0.536 4.886 4.350 -0.001 0.000 0.266 370 E C -0.542 176.248 176.600 0.316 0.000 0.889 370 E CA -0.698 55.773 56.400 0.118 0.000 0.756 370 E CB 1.090 30.837 29.700 0.079 0.000 1.131 370 E HN 0.129 nan 8.360 nan 0.000 0.411 371 F N -0.400 119.552 119.950 0.004 0.000 2.807 371 F HA 0.733 5.259 4.527 -0.002 0.000 0.316 371 F C -0.978 174.874 175.800 0.088 0.000 1.162 371 F CA -0.890 57.171 58.000 0.102 0.000 0.910 371 F CB 1.430 40.491 39.000 0.101 0.000 1.314 371 F HN 0.323 nan 8.300 nan 0.000 0.454 372 S N 0.485 116.316 115.700 0.217 0.000 2.625 372 S HA 0.686 5.155 4.470 -0.001 0.000 0.271 372 S C -1.562 173.170 174.600 0.220 0.000 1.161 372 S CA -0.914 57.338 58.200 0.087 0.000 0.820 372 S CB 1.436 64.668 63.200 0.053 0.000 1.137 372 S HN 0.846 nan 8.310 nan 0.000 0.470 373 L N 2.325 123.652 121.223 0.174 0.000 2.426 373 L HA 0.286 4.626 4.340 -0.001 0.000 0.271 373 L C 0.222 177.194 176.870 0.170 0.000 1.169 373 L CA -0.359 54.612 54.840 0.217 0.000 0.836 373 L CB 0.349 42.532 42.059 0.206 0.000 1.112 373 L HN 0.661 nan 8.230 nan 0.000 0.465 374 D N 4.971 125.476 120.400 0.175 0.000 2.358 374 D HA 0.046 4.685 4.640 -0.001 0.000 0.258 374 D C -1.385 174.970 176.300 0.091 0.000 1.223 374 D CA -1.551 52.520 54.000 0.117 0.000 0.886 374 D CB 1.333 42.198 40.800 0.108 0.000 1.120 374 D HN 0.275 nan 8.370 nan 0.000 0.482 375 P HA -0.057 nan 4.420 nan 0.000 0.230 375 P C 0.225 177.548 177.300 0.038 0.000 1.158 375 P CA 0.546 63.675 63.100 0.049 0.000 0.769 375 P CB 0.536 32.256 31.700 0.034 0.000 0.807 376 N N -0.351 118.369 118.700 0.034 0.000 2.187 376 N HA 0.126 4.865 4.740 -0.001 0.000 0.212 376 N C 0.199 175.722 175.510 0.022 0.000 1.152 376 N CA 0.165 53.228 53.050 0.021 0.000 0.872 376 N CB 0.992 39.484 38.487 0.007 0.000 1.025 376 N HN 0.290 nan 8.380 nan 0.000 0.514 377 K N 0.674 121.099 120.400 0.040 0.000 2.426 377 K HA 0.315 4.634 4.320 -0.001 0.000 0.251 377 K C -0.618 176.022 176.600 0.066 0.000 0.941 377 K CA -0.674 55.636 56.287 0.039 0.000 0.808 377 K CB 2.274 34.797 32.500 0.039 0.000 1.265 377 K HN -0.149 nan 8.250 nan 0.000 0.432 378 E N 1.144 121.377 120.200 0.054 0.000 2.301 378 E HA 0.186 4.535 4.350 -0.001 0.000 0.275 378 E C -0.277 176.393 176.600 0.117 0.000 1.030 378 E CA -0.389 56.057 56.400 0.078 0.000 0.852 378 E CB 1.255 30.985 29.700 0.051 0.000 1.060 378 E HN 0.503 nan 8.360 nan 0.000 0.401 379 C N 1.506 120.898 119.300 0.153 0.000 2.422 379 C HA 0.396 4.856 4.460 -0.001 0.000 0.364 379 C C 0.657 175.727 174.990 0.133 0.000 1.251 379 C CA -0.290 58.837 59.018 0.182 0.000 2.441 379 C CB 0.271 28.142 27.740 0.219 0.000 2.393 379 C HN 0.718 nan 8.230 nan 0.000 0.606 380 E N 0.810 121.093 120.200 0.138 0.000 2.290 380 E HA 0.233 4.583 4.350 -0.001 0.000 0.274 380 E C -1.698 174.958 176.600 0.094 0.000 0.889 380 E CA -0.452 56.024 56.400 0.128 0.000 0.760 380 E CB 1.122 30.933 29.700 0.186 0.000 1.206 380 E HN 0.824 nan 8.360 nan 0.000 0.419 381 W N 6.959 128.193 121.300 -0.110 0.000 2.390 381 W HA 0.405 5.064 4.660 -0.002 0.000 0.312 381 W C -1.576 174.892 176.519 -0.085 0.000 1.123 381 W CA -0.838 56.420 57.345 -0.146 0.000 1.202 381 W CB 1.335 30.678 29.460 -0.196 0.000 1.251 381 W HN 0.447 nan 8.180 nan 0.000 0.511 382 L N 7.537 128.514 121.223 -0.410 0.000 2.264 382 L HA 0.380 4.719 4.340 -0.001 0.000 0.289 382 L C -0.197 176.508 176.870 -0.274 0.000 1.044 382 L CA -0.175 54.513 54.840 -0.253 0.000 0.807 382 L CB 0.988 42.887 42.059 -0.267 0.000 1.192 382 L HN 0.393 nan 8.230 nan 0.000 0.425 383 M N 4.149 123.757 119.600 0.013 0.000 2.359 383 M HA 0.790 5.269 4.480 -0.001 0.000 0.322 383 M C 0.592 176.799 176.300 -0.154 0.000 1.166 383 M CA -0.043 55.289 55.300 0.053 0.000 1.067 383 M CB 1.593 34.254 32.600 0.103 0.000 1.523 383 M HN 0.813 nan 8.290 nan 0.000 0.467 384 G N 0.332 108.903 108.800 -0.383 0.000 2.339 384 G HA2 -0.058 3.902 3.960 -0.001 0.000 0.275 384 G HA3 -0.058 3.902 3.960 -0.001 0.000 0.275 384 G C -0.503 174.032 174.900 -0.608 0.000 1.323 384 G CA -0.459 43.964 45.100 -1.128 0.000 0.927 384 G HN 0.668 nan 8.290 nan 0.000 0.486 385 Q N -1.188 118.308 119.800 -0.506 0.000 2.297 385 Q HA 0.257 4.597 4.340 -0.001 0.000 0.204 385 Q C 0.407 176.353 176.000 -0.089 0.000 0.962 385 Q CA 1.234 56.979 55.803 -0.097 0.000 0.879 385 Q CB 0.010 28.789 28.738 0.069 0.000 0.947 385 Q HN 0.400 nan 8.270 nan 0.000 0.462 386 V N 1.326 121.183 119.914 -0.096 0.000 2.380 386 V HA 0.611 4.731 4.120 -0.001 0.000 0.286 386 V C -0.835 175.200 176.094 -0.100 0.000 1.015 386 V CA -0.509 61.764 62.300 -0.046 0.000 0.834 386 V CB 1.157 32.982 31.823 0.002 0.000 1.009 386 V HN 0.215 nan 8.190 nan 0.000 0.428 387 A N 3.711 126.479 122.820 -0.086 0.000 2.342 387 A HA 1.042 5.361 4.320 -0.001 0.000 0.323 387 A C 0.191 177.465 177.584 -0.516 0.000 1.125 387 A CA 0.086 51.992 52.037 -0.218 0.000 0.785 387 A CB 1.765 20.838 19.000 0.121 0.000 1.221 387 A HN 1.297 nan 8.150 nan 0.000 0.463 388 G N 0.736 108.807 108.800 -1.214 0.000 2.441 388 G HA2 0.483 4.442 3.960 -0.001 0.000 0.294 388 G HA3 0.483 4.442 3.960 -0.001 0.000 0.294 388 G C -0.875 173.200 174.900 -1.375 0.000 1.393 388 G CA -0.934 43.319 45.100 -1.410 0.000 0.796 388 G HN 0.531 nan 8.290 nan 0.000 0.494 389 M N 0.566 119.676 119.600 -0.816 0.000 2.249 389 M HA 0.190 4.670 4.480 -0.001 0.000 0.340 389 M C 0.974 177.076 176.300 -0.331 0.000 1.166 389 M CA -0.238 54.821 55.300 -0.402 0.000 1.115 389 M CB 1.103 33.594 32.600 -0.181 0.000 1.606 389 M HN 0.530 nan 8.290 nan 0.000 0.448 390 L N 3.337 124.395 121.223 -0.275 0.000 2.500 390 L HA 0.221 4.560 4.340 -0.001 0.000 0.219 390 L C -0.167 176.394 176.870 -0.514 0.000 1.057 390 L CA 1.173 55.791 54.840 -0.369 0.000 0.854 390 L CB 0.221 42.062 42.059 -0.364 0.000 1.078 390 L HN 0.723 nan 8.230 nan 0.000 0.480 391 H N -1.540 117.522 119.070 -0.012 0.000 2.782 391 H HA 0.635 5.190 4.556 -0.001 0.000 0.347 391 H C -1.219 174.172 175.328 0.104 0.000 1.038 391 H CA -0.592 55.480 56.048 0.040 0.000 1.255 391 H CB 1.837 31.615 29.762 0.028 0.000 1.623 391 H HN -0.272 nan 8.280 nan 0.000 0.525 392 V N 5.245 125.324 119.914 0.275 0.000 2.383 392 V HA 0.196 4.315 4.120 -0.001 0.000 0.261 392 V C -2.421 173.869 176.094 0.325 0.000 0.987 392 V CA -1.442 61.055 62.300 0.330 0.000 0.853 392 V CB 0.649 32.684 31.823 0.353 0.000 1.095 392 V HN 0.627 nan 8.190 nan 0.000 0.461 393 P HA 0.340 nan 4.420 nan 0.000 0.271 393 P C -0.410 177.061 177.300 0.284 0.000 1.226 393 P CA 0.277 63.525 63.100 0.246 0.000 0.765 393 P CB 1.457 33.256 31.700 0.165 0.000 0.835 394 I N 2.332 123.100 120.570 0.330 0.000 3.002 394 I HA 0.723 4.892 4.170 -0.001 0.000 0.310 394 I C -0.291 176.021 176.117 0.326 0.000 1.087 394 I CA -1.824 59.711 61.300 0.391 0.000 1.017 394 I CB 2.469 40.810 38.000 0.569 0.000 1.226 394 I HN 0.229 nan 8.210 nan 0.000 0.443 395 I N 0.978 121.730 120.570 0.304 0.000 2.828 395 I HA 0.853 5.022 4.170 -0.001 0.000 0.302 395 I C -1.441 174.825 176.117 0.247 0.000 1.101 395 I CA -0.702 60.648 61.300 0.084 0.000 1.031 395 I CB 2.264 40.273 38.000 0.014 0.000 1.231 395 I HN 0.815 nan 8.210 nan 0.000 0.427 396 F N 1.751 121.777 119.950 0.126 0.000 2.719 396 F HA 0.745 5.271 4.527 -0.001 0.000 0.309 396 F C -3.068 172.774 175.800 0.070 0.000 1.138 396 F CA -2.320 55.757 58.000 0.130 0.000 0.943 396 F CB 0.608 39.711 39.000 0.171 0.000 1.304 396 F HN 0.256 nan 8.300 nan 0.000 0.445 397 P HA 0.083 nan 4.420 nan 0.000 0.267 397 P C -0.803 176.624 177.300 0.211 0.000 1.209 397 P CA -0.241 62.938 63.100 0.133 0.000 0.763 397 P CB 1.041 32.812 31.700 0.117 0.000 0.816 398 K N 2.165 122.614 120.400 0.083 0.000 2.469 398 K HA 0.381 4.700 4.320 -0.001 0.000 0.274 398 K C 0.314 177.001 176.600 0.146 0.000 0.983 398 K CA -0.153 56.207 56.287 0.122 0.000 0.974 398 K CB 0.158 32.666 32.500 0.014 0.000 0.913 398 K HN 0.526 nan 8.250 nan 0.000 0.493 399 G N 1.467 110.370 108.800 0.171 0.000 3.243 399 G HA2 0.461 4.420 3.960 -0.001 0.000 0.248 399 G HA3 0.461 4.420 3.960 -0.001 0.000 0.248 399 G C -1.476 173.472 174.900 0.081 0.000 1.267 399 G CA -1.095 44.069 45.100 0.108 0.000 0.906 399 G HN 0.754 nan 8.290 nan 0.000 0.592 400 K N -0.309 120.126 120.400 0.058 0.000 2.328 400 K HA 0.674 4.993 4.320 -0.001 0.000 0.246 400 K C -0.607 176.019 176.600 0.044 0.000 0.955 400 K CA -0.929 55.385 56.287 0.045 0.000 0.817 400 K CB 2.489 35.008 32.500 0.031 0.000 1.208 400 K HN 0.392 nan 8.250 nan 0.000 0.432 401 R N 1.155 121.679 120.500 0.040 0.000 2.594 401 R HA 0.145 4.484 4.340 -0.001 0.000 0.272 401 R C 0.869 177.187 176.300 0.030 0.000 1.074 401 R CA -0.269 55.855 56.100 0.040 0.000 1.105 401 R CB 0.370 30.691 30.300 0.036 0.000 1.008 401 R HN 0.581 nan 8.270 nan 0.000 0.472 402 L N 0.086 121.326 121.223 0.030 0.000 2.270 402 L HA 0.049 4.388 4.340 -0.001 0.000 0.210 402 L C 0.785 177.668 176.870 0.021 0.000 1.104 402 L CA 0.781 55.635 54.840 0.023 0.000 0.804 402 L CB 0.154 42.226 42.059 0.022 0.000 0.937 402 L HN 0.464 nan 8.230 nan 0.000 0.450 403 S N -0.026 115.689 115.700 0.024 0.000 2.594 403 S HA 0.460 4.930 4.470 -0.001 0.000 0.296 403 S C -0.623 173.989 174.600 0.020 0.000 1.124 403 S CA -0.426 57.786 58.200 0.021 0.000 1.011 403 S CB 0.897 64.111 63.200 0.022 0.000 1.016 403 S HN 0.294 nan 8.310 nan 0.000 0.485 404 E N 0.000 120.210 120.200 0.016 0.000 2.725 404 E HA 0.000 4.349 4.350 -0.001 0.000 0.291 404 E CA 0.000 56.408 56.400 0.013 0.000 0.976 404 E CB 0.000 29.709 29.700 0.014 0.000 0.812 404 E HN 0.000 nan 8.360 nan 0.000 0.440