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_A 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 0.000 174.747 174.700 0.079 0.000 1.109 8 T CA 0.000 62.136 62.100 0.060 0.000 1.349 8 T CB 0.000 68.900 68.868 0.053 0.000 0.612 9 S N 0.328 116.087 115.700 0.098 0.000 2.575 9 S HA 0.534 5.003 4.470 -0.003 0.000 0.278 9 S C 0.625 175.299 174.600 0.124 0.000 1.139 9 S CA -0.970 57.314 58.200 0.139 0.000 0.954 9 S CB 1.052 64.374 63.200 0.204 0.000 1.054 9 S HN 0.764 nan 8.310 nan 0.000 0.483 10 L N 3.986 125.242 121.223 0.054 0.000 2.465 10 L HA 0.072 4.411 4.340 -0.003 0.000 0.224 10 L C 1.311 178.153 176.870 -0.046 0.000 1.145 10 L CA 0.946 55.793 54.840 0.011 0.000 0.834 10 L CB -0.419 41.593 42.059 -0.079 0.000 0.944 10 L HN 0.681 nan 8.230 nan 0.000 0.451 11 F N -0.739 119.204 119.950 -0.012 0.000 2.259 11 F HA -0.177 4.349 4.527 -0.002 0.000 0.298 11 F C 2.770 178.545 175.800 -0.041 0.000 1.088 11 F CA 1.376 59.333 58.000 -0.071 0.000 1.358 11 F CB -0.703 38.260 39.000 -0.063 0.000 1.040 11 F HN -0.039 nan 8.300 nan 0.000 0.505 12 T N -0.913 113.759 114.554 0.197 0.000 2.778 12 T HA -0.183 4.165 4.350 -0.003 0.000 0.269 12 T C 1.627 176.366 174.700 0.064 0.000 1.050 12 T CA 1.986 64.158 62.100 0.120 0.000 1.137 12 T CB -0.388 68.549 68.868 0.115 0.000 0.860 12 T HN 0.377 nan 8.240 nan 0.000 0.468 13 T N -1.425 113.174 114.554 0.075 0.000 3.231 13 T HA 0.700 5.048 4.350 -0.003 0.000 0.292 13 T C 0.287 175.058 174.700 0.119 0.000 1.001 13 T CA 0.054 62.190 62.100 0.060 0.000 0.920 13 T CB 0.174 69.062 68.868 0.033 0.000 1.140 13 T HN 0.329 nan 8.240 nan 0.000 0.525 14 A N 1.643 124.552 122.820 0.148 0.000 2.520 14 A HA 0.484 4.802 4.320 -0.003 0.000 0.245 14 A C 0.038 177.924 177.584 0.504 0.000 1.072 14 A CA -0.039 52.160 52.037 0.270 0.000 0.761 14 A CB -0.019 18.944 19.000 -0.063 0.000 1.004 14 A HN 0.492 nan 8.150 nan 0.000 0.499 15 D N 0.945 121.773 120.400 0.713 0.000 2.764 15 D HA 0.113 4.752 4.640 -0.003 0.000 0.227 15 D C 0.847 177.563 176.300 0.693 0.000 1.347 15 D CA -0.410 54.015 54.000 0.708 0.000 0.953 15 D CB 0.542 41.564 40.800 0.371 0.000 1.476 15 D HN 0.651 nan 8.370 nan 0.000 0.585 16 H N 2.485 121.906 119.070 0.586 0.000 2.518 16 H HA -0.093 4.462 4.556 -0.003 0.000 0.289 16 H C 0.337 175.725 175.328 0.100 0.000 1.051 16 H CA 0.772 56.891 56.048 0.118 0.000 1.280 16 H CB -0.123 29.487 29.762 -0.253 0.000 1.380 16 H HN 0.418 nan 8.280 nan 0.000 0.566 17 Y N 0.824 121.032 120.300 -0.153 0.000 2.482 17 Y HA 0.115 4.664 4.550 -0.003 0.000 0.270 17 Y C 0.542 176.124 175.900 -0.530 0.000 1.152 17 Y CA 0.180 58.111 58.100 -0.282 0.000 1.292 17 Y CB 0.542 38.795 38.460 -0.345 0.000 1.070 17 Y HN 0.305 nan 8.280 nan 0.000 0.528 18 H N -0.322 118.877 119.070 0.214 0.000 2.514 18 H HA 0.211 4.766 4.556 -0.003 0.000 0.226 18 H C -0.271 175.086 175.328 0.050 0.000 1.421 18 H CA -0.277 55.838 56.048 0.111 0.000 1.394 18 H CB 0.240 30.037 29.762 0.059 0.000 1.701 18 H HN 0.025 nan 8.280 nan 0.000 0.515 19 T N -0.285 114.331 114.554 0.103 0.000 2.771 19 T HA 0.350 4.698 4.350 -0.003 0.000 0.291 19 T C -2.621 171.944 174.700 -0.224 0.000 0.954 19 T CA -2.050 60.024 62.100 -0.043 0.000 1.045 19 T CB 1.726 70.703 68.868 0.182 0.000 0.917 19 T HN 0.015 nan 8.240 nan 0.000 0.484 20 P HA 0.179 nan 4.420 nan 0.000 0.264 20 P C -0.517 176.645 177.300 -0.229 0.000 1.193 20 P CA -0.149 62.764 63.100 -0.313 0.000 0.763 20 P CB 0.349 31.820 31.700 -0.381 0.000 0.810 21 L N 2.648 123.760 121.223 -0.185 0.000 2.325 21 L HA 0.557 4.896 4.340 -0.003 0.000 0.279 21 L C 1.337 178.115 176.870 -0.155 0.000 1.054 21 L CA -0.517 54.185 54.840 -0.229 0.000 0.804 21 L CB 1.257 43.182 42.059 -0.225 0.000 1.200 21 L HN 0.431 nan 8.230 nan 0.000 0.436 22 G N 1.338 110.039 108.800 -0.165 0.000 2.543 22 G HA2 0.324 4.283 3.960 -0.003 0.000 0.290 22 G HA3 0.324 4.283 3.960 -0.003 0.000 0.290 22 G C -1.570 173.280 174.900 -0.084 0.000 1.310 22 G CA -0.753 44.292 45.100 -0.093 0.000 1.025 22 G HN 0.532 nan 8.290 nan 0.000 0.502 23 P HA -0.059 nan 4.420 nan 0.000 0.223 23 P C 0.780 178.056 177.300 -0.039 0.000 1.151 23 P CA 1.271 64.346 63.100 -0.041 0.000 0.787 23 P CB 0.154 31.835 31.700 -0.031 0.000 0.788 24 D N -0.843 119.532 120.400 -0.041 0.000 2.347 24 D HA -0.007 4.632 4.640 -0.003 0.000 0.215 24 D C 1.508 177.824 176.300 0.026 0.000 0.976 24 D CA 1.094 55.098 54.000 0.008 0.000 0.884 24 D CB -0.683 40.142 40.800 0.042 0.000 0.915 24 D HN 0.282 nan 8.370 nan 0.000 0.526 25 G N 0.322 109.056 108.800 -0.109 0.000 2.176 25 G HA2 -0.228 3.731 3.960 -0.003 0.000 0.232 25 G HA3 -0.228 3.731 3.960 -0.003 0.000 0.232 25 G C 0.438 175.063 174.900 -0.457 0.000 0.986 25 G CA 0.502 45.486 45.100 -0.194 0.000 0.643 25 G HN 0.816 nan 8.290 nan 0.000 0.522 26 T N -2.548 111.636 114.554 -0.618 0.000 2.927 26 T HA 0.797 5.146 4.350 -0.003 0.000 0.286 26 T C -2.208 171.906 174.700 -0.977 0.000 1.040 26 T CA -1.064 60.310 62.100 -1.210 0.000 1.010 26 T CB 3.201 71.317 68.868 -1.254 0.000 1.177 26 T HN -0.033 nan 8.240 nan 0.000 0.546 27 P HA 0.219 nan 4.420 nan 0.000 0.258 27 P C 0.694 177.569 177.300 -0.708 0.000 1.416 27 P CA 0.083 62.687 63.100 -0.826 0.000 0.927 27 P CB -0.408 30.737 31.700 -0.926 0.000 1.444 28 H N 0.178 118.882 119.070 -0.610 0.000 2.423 28 H HA -0.022 4.533 4.556 -0.002 0.000 0.297 28 H C 2.103 177.368 175.328 -0.104 0.000 1.075 28 H CA 0.830 56.686 56.048 -0.321 0.000 1.342 28 H CB 0.076 29.757 29.762 -0.134 0.000 1.395 28 H HN 0.168 nan 8.280 nan 0.000 0.530 29 A N 1.229 124.080 122.820 0.052 0.000 1.902 29 A HA -0.198 4.120 4.320 -0.003 0.000 0.217 29 A C 2.092 179.745 177.584 0.116 0.000 1.181 29 A CA 1.281 53.364 52.037 0.077 0.000 0.623 29 A CB -0.800 18.233 19.000 0.053 0.000 0.818 29 A HN 0.448 nan 8.150 nan 0.000 0.443 30 F N -0.004 119.929 119.950 -0.028 0.000 2.134 30 F HA -0.120 4.405 4.527 -0.003 0.000 0.299 30 F C 1.987 177.918 175.800 0.218 0.000 1.097 30 F CA 1.240 59.271 58.000 0.051 0.000 1.264 30 F CB -0.560 38.453 39.000 0.023 0.000 1.001 30 F HN 0.281 nan 8.300 nan 0.000 0.479 31 F N 0.608 120.478 119.950 -0.134 0.000 2.134 31 F HA -0.217 4.309 4.527 -0.002 0.000 0.299 31 F C 2.393 178.055 175.800 -0.230 0.000 1.097 31 F CA 1.136 58.998 58.000 -0.230 0.000 1.264 31 F CB -0.466 38.483 39.000 -0.086 0.000 1.001 31 F HN 0.063 nan 8.300 nan 0.000 0.479 32 E N 0.464 120.698 120.200 0.056 0.000 2.072 32 E HA -0.180 4.168 4.350 -0.003 0.000 0.191 32 E C 2.294 178.870 176.600 -0.039 0.000 0.985 32 E CA 0.959 57.360 56.400 0.002 0.000 0.801 32 E CB -0.191 29.529 29.700 0.034 0.000 0.750 32 E HN 0.347 nan 8.360 nan 0.000 0.452 33 A N 0.871 123.657 122.820 -0.057 0.000 1.898 33 A HA -0.141 4.177 4.320 -0.003 0.000 0.216 33 A C 2.112 179.595 177.584 -0.168 0.000 1.181 33 A CA 0.909 52.902 52.037 -0.073 0.000 0.620 33 A CB -0.421 18.567 19.000 -0.020 0.000 0.819 33 A HN 0.229 nan 8.150 nan 0.000 0.442 34 L N -0.234 120.787 121.223 -0.336 0.000 2.093 34 L HA -0.064 4.274 4.340 -0.003 0.000 0.208 34 L C 2.400 179.094 176.870 -0.293 0.000 1.085 34 L CA 1.901 56.455 54.840 -0.477 0.000 0.755 34 L CB -0.616 40.977 42.059 -0.775 0.000 0.904 34 L HN 0.404 nan 8.230 nan 0.000 0.435 35 R N -0.022 120.369 120.500 -0.182 0.000 2.081 35 R HA -0.164 4.174 4.340 -0.003 0.000 0.235 35 R C 1.696 177.974 176.300 -0.037 0.000 1.131 35 R CA 1.924 57.975 56.100 -0.082 0.000 0.960 35 R CB -0.711 29.560 30.300 -0.049 0.000 0.856 35 R HN 0.402 nan 8.270 nan 0.000 0.436 36 D N 0.625 121.002 120.400 -0.040 0.000 2.104 36 D HA -0.189 4.450 4.640 -0.003 0.000 0.194 36 D C 1.760 178.063 176.300 0.005 0.000 0.994 36 D CA 1.405 55.400 54.000 -0.008 0.000 0.830 36 D CB -0.260 40.537 40.800 -0.006 0.000 0.959 36 D HN 0.487 nan 8.370 nan 0.000 0.452 37 E N 0.342 120.532 120.200 -0.017 0.000 2.150 37 E HA -0.110 4.239 4.350 -0.003 0.000 0.193 37 E C 1.830 178.501 176.600 0.119 0.000 0.985 37 E CA 0.875 57.298 56.400 0.039 0.000 0.814 37 E CB -0.009 29.696 29.700 0.008 0.000 0.752 37 E HN 0.166 nan 8.360 nan 0.000 0.466 38 A N 0.872 123.754 122.820 0.103 0.000 2.172 38 A HA -0.165 4.154 4.320 -0.003 0.000 0.216 38 A C 1.672 179.321 177.584 0.107 0.000 1.154 38 A CA 1.091 53.236 52.037 0.180 0.000 0.701 38 A CB -0.372 18.718 19.000 0.149 0.000 0.789 38 A HN 0.337 nan 8.150 nan 0.000 0.465 39 E N -0.979 119.264 120.200 0.072 0.000 2.274 39 E HA -0.086 4.263 4.350 -0.003 0.000 0.194 39 E C 1.520 178.149 176.600 0.047 0.000 0.996 39 E CA 1.401 57.833 56.400 0.052 0.000 0.840 39 E CB -0.059 29.664 29.700 0.039 0.000 0.772 39 E HN 0.590 nan 8.360 nan 0.000 0.491 40 T N -0.385 114.204 114.554 0.059 0.000 3.046 40 T HA 0.030 4.378 4.350 -0.003 0.000 0.242 40 T C 0.717 175.442 174.700 0.042 0.000 1.018 40 T CA 0.612 62.740 62.100 0.047 0.000 1.131 40 T CB 0.506 69.406 68.868 0.053 0.000 0.904 40 T HN -0.067 nan 8.240 nan 0.000 0.459 41 T N 3.569 118.168 114.554 0.073 0.000 3.064 41 T HA 0.271 4.619 4.350 -0.003 0.000 0.367 41 T C -2.099 172.614 174.700 0.022 0.000 1.202 41 T CA -1.153 60.956 62.100 0.015 0.000 1.133 41 T CB 1.973 70.850 68.868 0.016 0.000 1.074 41 T HN 0.068 nan 8.240 nan 0.000 0.519 42 P HA 0.135 nan 4.420 nan 0.000 0.229 42 P C 0.051 177.315 177.300 -0.059 0.000 1.160 42 P CA 0.508 63.626 63.100 0.029 0.000 0.777 42 P CB 0.595 32.304 31.700 0.014 0.000 0.814 43 I N -0.599 119.813 120.570 -0.263 0.000 2.512 43 I HA 0.518 4.687 4.170 -0.003 0.000 0.287 43 I C 0.082 175.860 176.117 -0.564 0.000 1.069 43 I CA -0.837 60.270 61.300 -0.323 0.000 1.056 43 I CB 2.383 40.257 38.000 -0.209 0.000 1.229 43 I HN -0.177 nan 8.210 nan 0.000 0.429 44 G N 4.784 113.067 108.800 -0.861 0.000 2.533 44 G HA2 0.386 4.344 3.960 -0.003 0.000 0.304 44 G HA3 0.386 4.344 3.960 -0.003 0.000 0.304 44 G C -2.052 172.884 174.900 0.060 0.000 1.263 44 G CA -0.489 44.208 45.100 -0.672 0.000 0.964 44 G HN 0.598 nan 8.290 nan 0.000 0.479 45 W N 2.074 123.313 121.300 -0.103 0.000 2.338 45 W HA 0.583 5.241 4.660 -0.002 0.000 0.307 45 W C -0.380 176.026 176.519 -0.189 0.000 1.167 45 W CA -0.638 56.518 57.345 -0.316 0.000 1.208 45 W CB 1.795 30.948 29.460 -0.512 0.000 1.228 45 W HN 0.472 nan 8.180 nan 0.000 0.499 46 S N 3.766 119.053 115.700 -0.688 0.000 2.489 46 S HA 0.142 4.611 4.470 -0.003 0.000 0.291 46 S C 0.841 175.077 174.600 -0.607 0.000 1.151 46 S CA -0.401 57.513 58.200 -0.477 0.000 1.082 46 S CB 1.462 64.404 63.200 -0.430 0.000 1.019 46 S HN 0.574 nan 8.310 nan 0.000 0.492 47 E N 2.341 122.416 120.200 -0.207 0.000 2.347 47 E HA 0.094 4.442 4.350 -0.003 0.000 0.196 47 E C 1.006 177.565 176.600 -0.069 0.000 1.008 47 E CA 0.356 56.703 56.400 -0.087 0.000 0.852 47 E CB -0.387 29.320 29.700 0.012 0.000 0.783 47 E HN 0.699 nan 8.360 nan 0.000 0.505 48 A N 0.169 122.962 122.820 -0.045 0.000 2.466 48 A HA 0.077 4.396 4.320 -0.003 0.000 0.238 48 A C -0.333 177.286 177.584 0.058 0.000 1.074 48 A CA -0.081 51.904 52.037 -0.088 0.000 0.774 48 A CB -0.389 18.560 19.000 -0.085 0.000 1.015 48 A HN 0.384 nan 8.150 nan 0.000 0.498 49 Y N -0.483 119.844 120.300 0.044 0.000 3.825 49 Y HA -0.256 4.293 4.550 -0.003 0.000 0.221 49 Y C 1.635 177.575 175.900 0.066 0.000 1.195 49 Y CA 1.219 59.295 58.100 -0.039 0.000 1.699 49 Y CB -1.671 36.654 38.460 -0.226 0.000 1.531 49 Y HN 2.110 nan 8.280 nan 0.000 0.640 50 G N -1.599 107.275 108.800 0.123 0.000 2.179 50 G HA2 0.149 4.107 3.960 -0.003 0.000 0.260 50 G HA3 0.149 4.107 3.960 -0.003 0.000 0.260 50 G C 0.608 175.593 174.900 0.142 0.000 0.977 50 G CA 0.571 45.749 45.100 0.130 0.000 0.641 50 G HN 2.094 nan 8.290 nan 0.000 0.533 51 G N -0.257 108.570 108.800 0.045 0.000 3.367 51 G HA2 0.574 4.532 3.960 -0.003 0.000 0.686 51 G HA3 0.574 4.532 3.960 -0.003 0.000 0.686 51 G C -0.667 173.778 174.900 -0.758 0.000 1.146 51 G CA 0.382 45.236 45.100 -0.409 0.000 0.913 51 G HN 2.684 nan 8.290 nan 0.000 0.554 52 H N -0.737 117.364 119.070 -1.615 0.000 2.967 52 H HA 0.560 5.115 4.556 -0.003 0.000 0.318 52 H C -1.299 173.464 175.328 -0.942 0.000 1.375 52 H CA -1.609 53.793 56.048 -1.076 0.000 1.132 52 H CB 0.517 30.071 29.762 -0.348 0.000 1.848 52 H HN 0.593 nan 8.280 nan 0.000 0.524 53 W N 1.044 122.221 121.300 -0.203 0.000 2.315 53 W HA 0.510 5.169 4.660 -0.003 0.000 0.316 53 W C -0.248 176.237 176.519 -0.055 0.000 1.211 53 W CA -0.771 56.539 57.345 -0.059 0.000 1.201 53 W CB 1.540 31.065 29.460 0.108 0.000 1.184 53 W HN 0.243 nan 8.180 nan 0.000 0.544 54 V N 4.802 124.824 119.914 0.181 0.000 2.334 54 V HA 0.221 4.340 4.120 -0.003 0.000 0.281 54 V C -0.344 175.817 176.094 0.112 0.000 1.016 54 V CA -0.956 61.402 62.300 0.096 0.000 0.832 54 V CB 1.053 32.832 31.823 -0.073 0.000 0.999 54 V HN 0.282 nan 8.190 nan 0.000 0.439 55 V N 5.008 124.989 119.914 0.111 0.000 2.334 55 V HA 0.476 4.594 4.120 -0.003 0.000 0.267 55 V C 0.931 177.080 176.094 0.092 0.000 1.040 55 V CA 0.402 62.737 62.300 0.059 0.000 0.866 55 V CB 0.880 32.695 31.823 -0.013 0.000 1.019 55 V HN 0.954 nan 8.190 nan 0.000 0.468 56 A N 3.826 126.722 122.820 0.126 0.000 2.167 56 A HA 0.523 4.841 4.320 -0.003 0.000 0.208 56 A C 1.363 179.017 177.584 0.117 0.000 1.198 56 A CA 0.562 52.671 52.037 0.120 0.000 0.863 56 A CB 0.038 19.097 19.000 0.098 0.000 0.904 56 A HN 0.832 nan 8.150 nan 0.000 0.484 57 G N -1.891 106.974 108.800 0.108 0.000 2.432 57 G HA2 0.294 4.253 3.960 -0.003 0.000 0.257 57 G HA3 0.294 4.253 3.960 -0.003 0.000 0.257 57 G C 0.426 175.412 174.900 0.144 0.000 1.238 57 G CA -0.107 45.065 45.100 0.120 0.000 0.838 57 G HN 0.299 nan 8.290 nan 0.000 0.547 58 Y N 1.842 122.178 120.300 0.061 0.000 2.114 58 Y HA -0.229 4.319 4.550 -0.003 0.000 0.284 58 Y C 2.890 178.799 175.900 0.016 0.000 1.143 58 Y CA 2.587 60.726 58.100 0.065 0.000 1.135 58 Y CB 0.115 38.624 38.460 0.083 0.000 0.980 58 Y HN 0.642 nan 8.280 nan 0.000 0.499 59 K N -0.567 119.963 120.400 0.218 0.000 2.147 59 K HA -0.191 4.128 4.320 -0.003 0.000 0.205 59 K C 1.512 178.101 176.600 -0.018 0.000 1.049 59 K CA 1.874 58.210 56.287 0.082 0.000 0.936 59 K CB -0.287 32.269 32.500 0.093 0.000 0.722 59 K HN 0.262 nan 8.250 nan 0.000 0.446 60 E N 1.369 121.562 120.200 -0.012 0.000 2.107 60 E HA -0.015 4.334 4.350 -0.003 0.000 0.191 60 E C 1.964 178.507 176.600 -0.096 0.000 0.982 60 E CA 1.007 57.375 56.400 -0.052 0.000 0.809 60 E CB -0.171 29.502 29.700 -0.045 0.000 0.756 60 E HN 0.322 nan 8.360 nan 0.000 0.459 61 I N 0.917 121.432 120.570 -0.091 0.000 2.226 61 I HA -0.302 3.867 4.170 -0.003 0.000 0.245 61 I C 2.261 178.294 176.117 -0.140 0.000 1.100 61 I CA 1.141 62.375 61.300 -0.110 0.000 1.374 61 I CB -0.272 37.705 38.000 -0.037 0.000 1.057 61 I HN 0.180 nan 8.210 nan 0.000 0.413 62 Q N 0.571 120.252 119.800 -0.199 0.000 2.084 62 Q HA -0.212 4.126 4.340 -0.003 0.000 0.202 62 Q C 2.475 178.425 176.000 -0.082 0.000 0.978 62 Q CA 1.835 57.532 55.803 -0.176 0.000 0.844 62 Q CB -0.284 28.301 28.738 -0.255 0.000 0.898 62 Q HN 0.573 nan 8.270 nan 0.000 0.426 63 A N 0.494 123.263 122.820 -0.086 0.000 1.902 63 A HA -0.136 4.182 4.320 -0.003 0.000 0.217 63 A C 2.374 179.897 177.584 -0.102 0.000 1.181 63 A CA 1.458 53.459 52.037 -0.060 0.000 0.623 63 A CB -0.647 18.325 19.000 -0.048 0.000 0.818 63 A HN 0.203 nan 8.150 nan 0.000 0.443 64 V N -0.354 119.423 119.914 -0.229 0.000 2.323 64 V HA -0.193 3.926 4.120 -0.003 0.000 0.244 64 V C 2.342 178.185 176.094 -0.418 0.000 1.041 64 V CA 1.819 63.793 62.300 -0.543 0.000 1.025 64 V CB -0.519 30.859 31.823 -0.742 0.000 0.656 64 V HN 0.619 nan 8.190 nan 0.000 0.451 65 I N -0.344 120.098 120.570 -0.214 0.000 2.614 65 I HA -0.193 3.975 4.170 -0.003 0.000 0.258 65 I C 2.356 178.471 176.117 -0.002 0.000 1.189 65 I CA 1.051 62.306 61.300 -0.076 0.000 1.462 65 I CB -0.008 38.018 38.000 0.042 0.000 1.092 65 I HN 0.352 nan 8.210 nan 0.000 0.442 66 Q N 0.008 119.811 119.800 0.005 0.000 2.398 66 Q HA 0.033 4.372 4.340 -0.003 0.000 0.204 66 Q C 0.562 176.586 176.000 0.041 0.000 0.932 66 Q CA 0.267 56.088 55.803 0.029 0.000 0.916 66 Q CB -0.297 28.468 28.738 0.045 0.000 1.024 66 Q HN 0.330 nan 8.270 nan 0.000 0.504 67 N N 1.643 120.383 118.700 0.067 0.000 2.555 67 N HA -0.006 4.733 4.740 -0.003 0.000 0.244 67 N C 0.410 176.044 175.510 0.208 0.000 1.114 67 N CA 0.212 53.355 53.050 0.157 0.000 0.963 67 N CB 0.711 39.369 38.487 0.285 0.000 1.276 67 N HN 0.040 nan 8.380 nan 0.000 0.510 68 T N -0.087 114.538 114.554 0.118 0.000 3.100 68 T HA 0.034 4.383 4.350 -0.003 0.000 0.253 68 T C 1.498 176.246 174.700 0.081 0.000 1.118 68 T CA 0.371 62.534 62.100 0.106 0.000 1.058 68 T CB 0.273 69.172 68.868 0.053 0.000 0.953 68 T HN 0.421 nan 8.240 nan 0.000 0.515 69 K N 1.479 121.918 120.400 0.066 0.000 2.062 69 K HA 0.213 4.531 4.320 -0.003 0.000 0.205 69 K C 2.223 178.804 176.600 -0.031 0.000 1.051 69 K CA 1.043 57.341 56.287 0.017 0.000 0.941 69 K CB -0.314 32.192 32.500 0.009 0.000 0.719 69 K HN 0.355 nan 8.250 nan 0.000 0.440 70 A N -0.139 122.640 122.820 -0.068 0.000 2.303 70 A HA 0.271 4.590 4.320 -0.003 0.000 0.217 70 A C -0.146 177.103 177.584 -0.557 0.000 1.205 70 A CA -0.264 51.579 52.037 -0.323 0.000 0.875 70 A CB 0.227 18.945 19.000 -0.471 0.000 0.910 70 A HN 0.182 nan 8.150 nan 0.000 0.501 71 F N -0.475 119.465 119.950 -0.016 0.000 2.507 71 F HA 0.583 5.108 4.527 -0.002 0.000 0.325 71 F C 0.393 176.181 175.800 -0.020 0.000 1.116 71 F CA -0.635 57.353 58.000 -0.021 0.000 0.930 71 F CB 2.117 41.101 39.000 -0.027 0.000 1.146 71 F HN -0.068 nan 8.300 nan 0.000 0.447 72 S N 1.361 117.141 115.700 0.134 0.000 2.503 72 S HA 0.358 4.827 4.470 -0.003 0.000 0.301 72 S C 0.280 174.888 174.600 0.013 0.000 1.087 72 S CA -0.659 57.578 58.200 0.062 0.000 1.042 72 S CB 1.011 64.227 63.200 0.027 0.000 1.043 72 S HN 0.649 nan 8.310 nan 0.000 0.489 73 N N 2.161 120.839 118.700 -0.037 0.000 2.521 73 N HA 0.115 4.854 4.740 -0.003 0.000 0.188 73 N C 1.018 176.460 175.510 -0.113 0.000 1.146 73 N CA 0.126 53.082 53.050 -0.157 0.000 0.893 73 N CB 0.120 38.374 38.487 -0.389 0.000 0.975 73 N HN 0.418 nan 8.380 nan 0.000 0.451 74 K N -0.528 119.841 120.400 -0.051 0.000 2.360 74 K HA 0.036 4.355 4.320 -0.003 0.000 0.201 74 K C 1.441 178.009 176.600 -0.053 0.000 1.046 74 K CA 0.561 56.823 56.287 -0.041 0.000 0.945 74 K CB -0.447 32.045 32.500 -0.014 0.000 0.750 74 K HN 0.177 nan 8.250 nan 0.000 0.464 75 G N 0.573 109.337 108.800 -0.060 0.000 3.434 75 G HA2 0.016 3.975 3.960 -0.003 0.000 0.258 75 G HA3 0.016 3.975 3.960 -0.003 0.000 0.258 75 G C 1.237 176.075 174.900 -0.103 0.000 1.128 75 G CA -0.143 44.920 45.100 -0.060 0.000 0.792 75 G HN 0.093 nan 8.290 nan 0.000 0.539 76 V N 1.613 121.436 119.914 -0.152 0.000 2.317 76 V HA -0.081 4.037 4.120 -0.003 0.000 0.251 76 V C 1.648 177.596 176.094 -0.244 0.000 1.065 76 V CA 2.400 64.572 62.300 -0.213 0.000 1.049 76 V CB -0.293 31.378 31.823 -0.254 0.000 0.651 76 V HN 0.480 nan 8.190 nan 0.000 0.450 77 T N -1.910 112.486 114.554 -0.263 0.000 2.797 77 T HA 0.545 4.894 4.350 -0.003 0.000 0.279 77 T C -1.095 173.563 174.700 -0.069 0.000 0.991 77 T CA -0.494 61.410 62.100 -0.327 0.000 0.979 77 T CB 1.446 69.867 68.868 -0.745 0.000 0.943 77 T HN 0.299 nan 8.240 nan 0.000 0.444 78 F N 3.867 123.697 119.950 -0.201 0.000 2.787 78 F HA 0.505 5.030 4.527 -0.003 0.000 0.340 78 F C -2.966 172.709 175.800 -0.209 0.000 1.232 78 F CA -2.119 55.752 58.000 -0.214 0.000 1.051 78 F CB 1.855 40.718 39.000 -0.228 0.000 1.330 78 F HN 0.421 nan 8.300 nan 0.000 0.522 79 P HA 0.062 nan 4.420 nan 0.000 0.269 79 P C -0.752 176.390 177.300 -0.263 0.000 1.215 79 P CA -0.213 62.436 63.100 -0.752 0.000 0.780 79 P CB 0.571 31.835 31.700 -0.727 0.000 0.898 80 R N 2.506 122.905 120.500 -0.168 0.000 2.538 80 R HA 0.001 4.339 4.340 -0.003 0.000 0.282 80 R C -0.243 176.068 176.300 0.019 0.000 1.009 80 R CA 0.098 56.159 56.100 -0.064 0.000 1.063 80 R CB -0.082 30.186 30.300 -0.055 0.000 0.945 80 R HN 0.376 nan 8.270 nan 0.000 0.414 81 Y N 2.029 122.240 120.300 -0.149 0.000 2.457 81 Y HA -0.058 4.491 4.550 -0.003 0.000 0.341 81 Y C 0.627 176.401 175.900 -0.210 0.000 1.240 81 Y CA -0.249 57.748 58.100 -0.172 0.000 1.437 81 Y CB 0.439 38.808 38.460 -0.152 0.000 1.328 81 Y HN 0.543 nan 8.280 nan 0.000 0.588 82 E N 1.153 121.281 120.200 -0.120 0.000 1.932 82 E HA 0.134 4.482 4.350 -0.003 0.000 0.275 82 E C -0.027 176.253 176.600 -0.533 0.000 1.159 82 E CA -0.010 56.257 56.400 -0.222 0.000 0.905 82 E CB -0.278 29.328 29.700 -0.156 0.000 1.059 82 E HN 0.580 nan 8.360 nan 0.000 0.400 83 T N 1.655 115.846 114.554 -0.605 0.000 3.339 83 T HA 0.486 4.834 4.350 -0.003 0.000 0.292 83 T C 1.027 175.386 174.700 -0.567 0.000 1.012 83 T CA -0.125 61.247 62.100 -1.213 0.000 0.937 83 T CB 0.004 68.569 68.868 -0.504 0.000 1.164 83 T HN 0.540 nan 8.240 nan 0.000 0.509 84 G N 2.532 111.174 108.800 -0.264 0.000 2.611 84 G HA2 -0.347 3.611 3.960 -0.003 0.000 0.301 84 G HA3 -0.347 3.611 3.960 -0.003 0.000 0.301 84 G C 0.427 175.320 174.900 -0.011 0.000 1.233 84 G CA 0.551 45.694 45.100 0.072 0.000 0.993 84 G HN 0.484 nan 8.290 nan 0.000 0.553 85 E N 0.518 120.645 120.200 -0.122 0.000 2.476 85 E HA 0.387 4.735 4.350 -0.003 0.000 0.191 85 E C 0.518 176.869 176.600 -0.415 0.000 1.064 85 E CA -0.129 56.091 56.400 -0.301 0.000 0.866 85 E CB -0.095 29.371 29.700 -0.391 0.000 0.952 85 E HN 0.314 nan 8.360 nan 0.000 0.492 86 F N 0.413 120.388 119.950 0.041 0.000 2.408 86 F HA 0.407 4.933 4.527 -0.002 0.000 0.325 86 F C 0.870 176.657 175.800 -0.022 0.000 1.082 86 F CA -0.770 57.253 58.000 0.038 0.000 1.032 86 F CB 0.981 40.063 39.000 0.137 0.000 1.259 86 F HN -0.239 nan 8.300 nan 0.000 0.503 87 E N 0.781 121.076 120.200 0.158 0.000 2.263 87 E HA 0.454 4.803 4.350 -0.003 0.000 0.264 87 E C -1.277 175.329 176.600 0.010 0.000 0.923 87 E CA -0.974 55.450 56.400 0.040 0.000 0.802 87 E CB 2.146 31.846 29.700 -0.001 0.000 1.228 87 E HN 0.384 nan 8.360 nan 0.000 0.417 88 L N 2.636 123.839 121.223 -0.032 0.000 2.385 88 L HA 0.197 4.535 4.340 -0.003 0.000 0.281 88 L C 0.172 176.972 176.870 -0.117 0.000 1.106 88 L CA -0.312 54.494 54.840 -0.057 0.000 0.856 88 L CB -0.067 41.950 42.059 -0.069 0.000 1.186 88 L HN 0.435 nan 8.230 nan 0.000 0.453 89 M N 4.576 124.040 119.600 -0.226 0.000 2.248 89 M HA 0.058 4.536 4.480 -0.003 0.000 0.345 89 M C 0.818 176.977 176.300 -0.234 0.000 1.243 89 M CA 1.172 56.221 55.300 -0.418 0.000 1.090 89 M CB 0.327 32.316 32.600 -1.018 0.000 1.683 89 M HN 0.757 nan 8.290 nan 0.000 0.450 90 M N 1.364 120.916 119.600 -0.079 0.000 2.813 90 M HA -0.407 4.071 4.480 -0.003 0.000 0.143 90 M C 1.231 177.705 176.300 0.291 0.000 0.703 90 M CA 1.891 57.306 55.300 0.190 0.000 0.548 90 M CB -2.015 30.659 32.600 0.122 0.000 2.012 90 M HN 0.775 nan 8.290 nan 0.000 0.256 91 A N -0.155 122.724 122.820 0.099 0.000 1.972 91 A HA 0.168 4.486 4.320 -0.003 0.000 0.219 91 A C 1.871 179.371 177.584 -0.140 0.000 1.169 91 A CA 2.139 54.161 52.037 -0.025 0.000 0.635 91 A CB -0.839 18.115 19.000 -0.077 0.000 0.810 91 A HN 0.876 nan 8.150 nan 0.000 0.446 92 G N -1.154 107.603 108.800 -0.071 0.000 3.371 92 G HA2 0.418 4.377 3.960 -0.003 0.000 0.248 92 G HA3 0.418 4.377 3.960 -0.003 0.000 0.248 92 G C 0.236 175.128 174.900 -0.012 0.000 1.161 92 G CA -0.239 44.813 45.100 -0.080 0.000 0.796 92 G HN 0.574 nan 8.290 nan 0.000 0.539 93 Q N 0.070 119.913 119.800 0.072 0.000 2.433 93 Q HA 0.430 4.768 4.340 -0.003 0.000 0.279 93 Q C -1.366 174.756 176.000 0.202 0.000 1.105 93 Q CA -0.967 54.924 55.803 0.146 0.000 0.815 93 Q CB 2.221 31.090 28.738 0.218 0.000 1.403 93 Q HN 0.045 nan 8.270 nan 0.000 0.435 94 D N 0.289 120.783 120.400 0.157 0.000 2.384 94 D HA 0.270 4.909 4.640 -0.003 0.000 0.250 94 D C -0.802 175.586 176.300 0.147 0.000 1.029 94 D CA -0.429 53.650 54.000 0.131 0.000 0.990 94 D CB 1.099 41.950 40.800 0.084 0.000 1.175 94 D HN 0.321 nan 8.370 nan 0.000 0.532 95 D N 0.567 121.030 120.400 0.105 0.000 2.357 95 D HA 0.109 4.748 4.640 -0.003 0.000 0.242 95 D C -0.967 175.371 176.300 0.063 0.000 1.153 95 D CA -0.950 53.114 54.000 0.106 0.000 0.918 95 D CB 0.643 41.490 40.800 0.078 0.000 1.181 95 D HN 0.147 nan 8.370 nan 0.000 0.435 96 P HA -0.028 nan 4.420 nan 0.000 0.231 96 P C 1.395 178.702 177.300 0.012 0.000 1.168 96 P CA 0.247 63.361 63.100 0.024 0.000 0.779 96 P CB 0.451 32.149 31.700 -0.003 0.000 0.844 97 V N 1.564 121.499 119.914 0.035 0.000 2.252 97 V HA -0.300 3.819 4.120 -0.003 0.000 0.249 97 V C 2.865 179.012 176.094 0.089 0.000 1.056 97 V CA 2.334 64.650 62.300 0.027 0.000 1.022 97 V CB -1.552 30.349 31.823 0.129 0.000 0.641 97 V HN 0.348 nan 8.190 nan 0.000 0.445 98 H N 0.873 119.995 119.070 0.087 0.000 2.319 98 H HA -0.247 4.308 4.556 -0.003 0.000 0.299 98 H C 2.419 177.784 175.328 0.062 0.000 1.092 98 H CA 2.459 58.573 56.048 0.110 0.000 1.302 98 H CB -0.049 29.759 29.762 0.076 0.000 1.373 98 H HN 0.450 nan 8.280 nan 0.000 0.497 99 K N 1.208 121.491 120.400 -0.196 0.000 2.057 99 K HA -0.130 4.188 4.320 -0.003 0.000 0.207 99 K C 2.485 178.985 176.600 -0.166 0.000 1.049 99 K CA 1.909 58.048 56.287 -0.247 0.000 0.931 99 K CB -0.015 32.449 32.500 -0.060 0.000 0.714 99 K HN 0.485 nan 8.250 nan 0.000 0.440 100 K N -0.871 119.444 120.400 -0.142 0.000 2.097 100 K HA -0.168 4.151 4.320 -0.003 0.000 0.205 100 K C 1.875 178.410 176.600 -0.109 0.000 1.050 100 K CA 1.373 57.566 56.287 -0.157 0.000 0.938 100 K CB -0.473 31.885 32.500 -0.237 0.000 0.718 100 K HN 0.249 nan 8.250 nan 0.000 0.442 101 Y N 1.482 121.802 120.300 0.034 0.000 2.220 101 Y HA -0.049 4.500 4.550 -0.003 0.000 0.291 101 Y C 2.889 178.901 175.900 0.186 0.000 1.129 101 Y CA 0.901 59.104 58.100 0.172 0.000 1.161 101 Y CB 0.038 38.568 38.460 0.117 0.000 0.997 101 Y HN 0.033 nan 8.280 nan 0.000 0.522 102 R N 0.707 121.281 120.500 0.123 0.000 2.115 102 R HA -0.188 4.150 4.340 -0.003 0.000 0.230 102 R C 1.938 178.281 176.300 0.072 0.000 1.111 102 R CA 1.512 57.648 56.100 0.059 0.000 0.976 102 R CB -0.181 30.011 30.300 -0.181 0.000 0.870 102 R HN 0.390 nan 8.270 nan 0.000 0.445 103 Q N 0.127 119.942 119.800 0.026 0.000 2.291 103 Q HA -0.117 4.222 4.340 -0.003 0.000 0.206 103 Q C 1.937 177.971 176.000 0.057 0.000 0.976 103 Q CA 1.102 56.921 55.803 0.027 0.000 0.875 103 Q CB 0.031 28.765 28.738 -0.006 0.000 0.927 103 Q HN 0.434 nan 8.270 nan 0.000 0.450 104 L N -0.253 121.026 121.223 0.095 0.000 2.217 104 L HA -0.079 4.260 4.340 -0.003 0.000 0.211 104 L C 1.722 178.616 176.870 0.040 0.000 1.107 104 L CA 0.674 55.549 54.840 0.059 0.000 0.783 104 L CB -0.028 42.069 42.059 0.063 0.000 0.919 104 L HN 0.187 nan 8.230 nan 0.000 0.442 105 V N -5.581 114.400 119.914 0.111 0.000 3.276 105 V HA 0.413 4.532 4.120 -0.003 0.000 0.319 105 V C 1.881 178.131 176.094 0.261 0.000 1.427 105 V CA 0.346 62.753 62.300 0.178 0.000 1.102 105 V CB -0.035 31.951 31.823 0.271 0.000 1.020 105 V HN 0.121 nan 8.190 nan 0.000 0.456 106 A N 1.409 124.328 122.820 0.164 0.000 1.877 106 A HA -0.144 4.174 4.320 -0.003 0.000 0.216 106 A C 2.241 179.920 177.584 0.159 0.000 1.186 106 A CA 2.284 54.414 52.037 0.155 0.000 0.620 106 A CB -0.427 18.621 19.000 0.081 0.000 0.822 106 A HN 0.534 nan 8.150 nan 0.000 0.443 107 K N -0.583 119.877 120.400 0.100 0.000 2.009 107 K HA -0.122 4.197 4.320 -0.003 0.000 0.210 107 K C -0.801 175.828 176.600 0.049 0.000 1.049 107 K CA 1.918 58.241 56.287 0.060 0.000 0.929 107 K CB -0.950 31.565 32.500 0.026 0.000 0.714 107 K HN 0.343 nan 8.250 nan 0.000 0.440 108 P HA -0.130 nan 4.420 nan 0.000 0.225 108 P C 0.319 177.487 177.300 -0.220 0.000 1.148 108 P CA 1.155 64.186 63.100 -0.114 0.000 0.779 108 P CB 0.141 31.722 31.700 -0.197 0.000 0.780 109 F N -1.234 118.774 119.950 0.096 0.000 2.653 109 F HA 0.136 4.662 4.527 -0.003 0.000 0.304 109 F C 1.340 177.195 175.800 0.092 0.000 1.092 109 F CA -0.305 57.760 58.000 0.109 0.000 1.279 109 F CB -0.444 38.608 39.000 0.087 0.000 1.044 109 F HN -0.208 nan 8.300 nan 0.000 0.564 110 S N 1.570 117.373 115.700 0.173 0.000 2.584 110 S HA 0.084 4.553 4.470 -0.003 0.000 0.270 110 S C -1.291 173.308 174.600 -0.002 0.000 1.346 110 S CA -1.012 57.233 58.200 0.076 0.000 1.018 110 S CB 0.789 64.005 63.200 0.026 0.000 0.899 110 S HN 0.001 nan 8.310 nan 0.000 0.542 111 P HA -0.213 nan 4.420 nan 0.000 0.216 111 P C 1.374 178.444 177.300 -0.384 0.000 1.150 111 P CA 1.747 64.407 63.100 -0.733 0.000 0.837 111 P CB -0.095 31.129 31.700 -0.794 0.000 0.786 112 E N 0.447 120.547 120.200 -0.167 0.000 2.106 112 E HA -0.114 4.234 4.350 -0.003 0.000 0.192 112 E C 2.055 178.639 176.600 -0.026 0.000 0.984 112 E CA 1.136 57.492 56.400 -0.074 0.000 0.806 112 E CB -0.832 28.835 29.700 -0.054 0.000 0.750 112 E HN 0.116 nan 8.360 nan 0.000 0.458 113 A N 1.622 124.436 122.820 -0.009 0.000 1.897 113 A HA -0.123 4.196 4.320 -0.003 0.000 0.215 113 A C 2.531 180.154 177.584 0.066 0.000 1.181 113 A CA 1.919 53.951 52.037 -0.009 0.000 0.620 113 A CB -1.116 17.881 19.000 -0.005 0.000 0.821 113 A HN 0.498 nan 8.150 nan 0.000 0.443 114 T N -2.385 112.302 114.554 0.221 0.000 2.915 114 T HA -0.122 4.226 4.350 -0.003 0.000 0.269 114 T C 1.227 176.178 174.700 0.418 0.000 1.071 114 T CA 1.389 63.764 62.100 0.458 0.000 1.132 114 T CB -0.406 68.768 68.868 0.510 0.000 0.878 114 T HN 0.320 nan 8.240 nan 0.000 0.479 115 D N 1.566 122.144 120.400 0.297 0.000 2.218 115 D HA 0.017 4.655 4.640 -0.003 0.000 0.204 115 D C 1.809 178.170 176.300 0.102 0.000 0.976 115 D CA 0.606 54.746 54.000 0.233 0.000 0.853 115 D CB -0.223 40.678 40.800 0.169 0.000 0.939 115 D HN 0.426 nan 8.370 nan 0.000 0.481 116 L N -0.470 120.741 121.223 -0.019 0.000 2.622 116 L HA -0.021 4.317 4.340 -0.003 0.000 0.233 116 L C 1.346 178.057 176.870 -0.266 0.000 1.156 116 L CA 0.197 54.933 54.840 -0.174 0.000 0.866 116 L CB -0.306 41.578 42.059 -0.292 0.000 0.980 116 L HN -0.040 nan 8.230 nan 0.000 0.448 117 F N -0.996 118.966 119.950 0.020 0.000 2.746 117 F HA 0.005 4.530 4.527 -0.003 0.000 0.297 117 F C 2.356 178.166 175.800 0.016 0.000 1.113 117 F CA 0.156 58.162 58.000 0.011 0.000 1.367 117 F CB -0.269 38.736 39.000 0.008 0.000 1.111 117 F HN -0.047 nan 8.300 nan 0.000 0.590 118 T N 0.089 114.745 114.554 0.170 0.000 2.565 118 T HA -0.332 4.017 4.350 -0.003 0.000 0.265 118 T C 1.856 176.607 174.700 0.084 0.000 1.082 118 T CA 2.167 64.334 62.100 0.112 0.000 1.173 118 T CB -0.316 68.600 68.868 0.080 0.000 0.864 118 T HN 0.163 nan 8.240 nan 0.000 0.425 119 E N 0.973 121.208 120.200 0.058 0.000 2.110 119 E HA -0.160 4.189 4.350 -0.003 0.000 0.193 119 E C 2.266 178.897 176.600 0.053 0.000 0.988 119 E CA 1.559 57.985 56.400 0.043 0.000 0.804 119 E CB -0.417 29.297 29.700 0.023 0.000 0.745 119 E HN 0.631 nan 8.360 nan 0.000 0.458 120 Q N -0.214 119.630 119.800 0.073 0.000 2.096 120 Q HA -0.170 4.169 4.340 -0.003 0.000 0.204 120 Q C 2.209 178.259 176.000 0.084 0.000 0.982 120 Q CA 1.736 57.591 55.803 0.088 0.000 0.850 120 Q CB -0.167 28.658 28.738 0.145 0.000 0.901 120 Q HN 0.404 nan 8.270 nan 0.000 0.422 121 L N -0.019 121.263 121.223 0.099 0.000 2.093 121 L HA -0.128 4.211 4.340 -0.003 0.000 0.208 121 L C 2.823 179.718 176.870 0.042 0.000 1.085 121 L CA 1.113 55.993 54.840 0.066 0.000 0.755 121 L CB -0.401 41.700 42.059 0.071 0.000 0.904 121 L HN 0.232 nan 8.230 nan 0.000 0.435 122 R N 0.041 120.568 120.500 0.044 0.000 2.073 122 R HA -0.234 4.104 4.340 -0.003 0.000 0.234 122 R C 2.371 178.683 176.300 0.021 0.000 1.134 122 R CA 1.756 57.873 56.100 0.029 0.000 0.952 122 R CB -0.093 30.226 30.300 0.030 0.000 0.850 122 R HN 0.195 nan 8.270 nan 0.000 0.433 123 Q N 0.079 119.895 119.800 0.026 0.000 2.084 123 Q HA -0.121 4.217 4.340 -0.003 0.000 0.202 123 Q C 2.022 178.033 176.000 0.019 0.000 0.978 123 Q CA 2.194 58.010 55.803 0.022 0.000 0.844 123 Q CB -0.295 28.458 28.738 0.026 0.000 0.898 123 Q HN 0.269 nan 8.270 nan 0.000 0.426 124 S N -1.426 114.288 115.700 0.022 0.000 2.356 124 S HA -0.152 4.316 4.470 -0.003 0.000 0.223 124 S C 1.845 176.442 174.600 -0.005 0.000 1.032 124 S CA 1.739 59.949 58.200 0.016 0.000 1.005 124 S CB -0.593 62.619 63.200 0.020 0.000 0.867 124 S HN 0.610 nan 8.310 nan 0.000 0.449 125 T N 2.729 117.273 114.554 -0.017 0.000 2.746 125 T HA -0.058 4.291 4.350 -0.003 0.000 0.267 125 T C 1.825 176.490 174.700 -0.058 0.000 1.039 125 T CA 1.380 63.445 62.100 -0.057 0.000 1.142 125 T CB -0.495 68.346 68.868 -0.045 0.000 0.866 125 T HN 0.424 nan 8.240 nan 0.000 0.444 126 N N 1.131 119.819 118.700 -0.021 0.000 2.142 126 N HA -0.097 4.642 4.740 -0.003 0.000 0.186 126 N C 1.521 177.041 175.510 0.016 0.000 1.023 126 N CA 1.110 54.156 53.050 -0.007 0.000 0.852 126 N CB -0.317 38.171 38.487 0.002 0.000 0.998 126 N HN 0.366 nan 8.380 nan 0.000 0.424 127 D N 1.011 121.424 120.400 0.021 0.000 2.144 127 D HA -0.065 4.573 4.640 -0.003 0.000 0.199 127 D C 2.191 178.532 176.300 0.068 0.000 0.984 127 D CA 0.457 54.481 54.000 0.040 0.000 0.834 127 D CB -0.260 40.561 40.800 0.034 0.000 0.955 127 D HN 0.235 nan 8.370 nan 0.000 0.465 128 L N 0.338 121.591 121.223 0.050 0.000 2.056 128 L HA -0.087 4.251 4.340 -0.003 0.000 0.207 128 L C 2.482 179.506 176.870 0.257 0.000 1.078 128 L CA 0.632 55.532 54.840 0.100 0.000 0.749 128 L CB -0.227 41.809 42.059 -0.038 0.000 0.901 128 L HN 0.004 nan 8.230 nan 0.000 0.433 129 I N -0.250 120.387 120.570 0.111 0.000 2.286 129 I HA -0.289 3.880 4.170 -0.003 0.000 0.248 129 I C 1.992 178.295 176.117 0.310 0.000 1.115 129 I CA 1.041 62.483 61.300 0.236 0.000 1.392 129 I CB -0.403 37.609 38.000 0.021 0.000 1.065 129 I HN 0.269 nan 8.210 nan 0.000 0.418 130 D N 1.208 121.710 120.400 0.170 0.000 2.149 130 D HA -0.169 4.469 4.640 -0.003 0.000 0.198 130 D C 2.268 178.635 176.300 0.112 0.000 0.990 130 D CA 1.462 55.532 54.000 0.116 0.000 0.839 130 D CB -0.151 40.693 40.800 0.073 0.000 0.948 130 D HN 0.347 nan 8.370 nan 0.000 0.460 131 A N 0.451 123.359 122.820 0.147 0.000 1.986 131 A HA -0.180 4.139 4.320 -0.003 0.000 0.220 131 A C 1.910 179.460 177.584 -0.056 0.000 1.171 131 A CA 1.454 53.532 52.037 0.068 0.000 0.640 131 A CB -0.149 18.921 19.000 0.116 0.000 0.811 131 A HN 0.213 nan 8.150 nan 0.000 0.451 132 R N -2.048 118.391 120.500 -0.102 0.000 2.541 132 R HA 0.376 4.715 4.340 -0.003 0.000 0.332 132 R C 1.454 177.740 176.300 -0.023 0.000 0.951 132 R CA 0.131 56.048 56.100 -0.305 0.000 1.136 132 R CB -0.088 29.587 30.300 -1.043 0.000 1.449 132 R HN 0.516 nan 8.270 nan 0.000 0.531 133 I N 1.911 122.559 120.570 0.130 0.000 2.335 133 I HA -0.251 3.917 4.170 -0.003 0.000 0.251 133 I C 1.275 177.545 176.117 0.255 0.000 1.129 133 I CA 1.735 63.177 61.300 0.237 0.000 1.402 133 I CB 0.264 38.343 38.000 0.132 0.000 1.069 133 I HN 0.209 nan 8.210 nan 0.000 0.424 134 E N 0.138 120.405 120.200 0.111 0.000 2.482 134 E HA -0.084 4.265 4.350 -0.003 0.000 0.196 134 E C 1.933 178.541 176.600 0.013 0.000 1.047 134 E CA 0.464 56.902 56.400 0.062 0.000 0.869 134 E CB 0.135 29.849 29.700 0.023 0.000 0.836 134 E HN 0.563 nan 8.360 nan 0.000 0.520 135 L N -0.908 120.306 121.223 -0.015 0.000 2.416 135 L HA 0.163 4.501 4.340 -0.003 0.000 0.216 135 L C 1.663 178.373 176.870 -0.267 0.000 1.098 135 L CA 0.486 55.250 54.840 -0.128 0.000 0.840 135 L CB -0.036 41.919 42.059 -0.174 0.000 0.981 135 L HN 0.276 nan 8.230 nan 0.000 0.462 136 G N 1.171 109.707 108.800 -0.439 0.000 2.162 136 G HA2 -0.288 3.670 3.960 -0.003 0.000 0.260 136 G HA3 -0.288 3.670 3.960 -0.003 0.000 0.260 136 G C 0.043 174.115 174.900 -1.380 0.000 0.976 136 G CA 0.790 45.289 45.100 -1.003 0.000 0.655 136 G HN 0.545 nan 8.290 nan 0.000 0.533 137 E N -1.783 117.812 120.200 -1.009 0.000 2.401 137 E HA 0.755 5.104 4.350 -0.003 0.000 0.280 137 E C -0.161 176.290 176.600 -0.247 0.000 1.039 137 E CA -0.159 55.933 56.400 -0.513 0.000 0.814 137 E CB 1.044 30.574 29.700 -0.285 0.000 1.275 137 E HN 1.736 nan 8.360 nan 0.000 0.448 138 G N 0.314 109.106 108.800 -0.014 0.000 2.355 138 G HA2 0.369 4.328 3.960 -0.003 0.000 0.296 138 G HA3 0.369 4.328 3.960 -0.003 0.000 0.296 138 G C -1.902 173.169 174.900 0.285 0.000 1.507 138 G CA -0.665 44.425 45.100 -0.016 0.000 0.823 138 G HN 0.610 nan 8.290 nan 0.000 0.569 139 D N 0.822 121.401 120.400 0.298 0.000 2.380 139 D HA 0.485 5.124 4.640 -0.003 0.000 0.230 139 D C 1.464 178.016 176.300 0.420 0.000 1.154 139 D CA 0.318 54.516 54.000 0.330 0.000 0.859 139 D CB 1.465 42.425 40.800 0.267 0.000 1.045 139 D HN 0.587 nan 8.370 nan 0.000 0.495 140 A N 3.954 126.992 122.820 0.364 0.000 2.024 140 A HA -0.097 4.221 4.320 -0.003 0.000 0.220 140 A C 1.983 179.633 177.584 0.111 0.000 1.164 140 A CA 1.907 54.030 52.037 0.144 0.000 0.643 140 A CB -0.213 18.834 19.000 0.079 0.000 0.806 140 A HN 0.630 nan 8.150 nan 0.000 0.451 141 A N -0.349 122.558 122.820 0.145 0.000 1.835 141 A HA -0.025 4.293 4.320 -0.003 0.000 0.213 141 A C 2.494 180.095 177.584 0.028 0.000 1.210 141 A CA 2.376 54.438 52.037 0.042 0.000 0.605 141 A CB -1.414 17.563 19.000 -0.037 0.000 0.860 141 A HN 0.777 nan 8.150 nan 0.000 0.447 142 T N -3.994 110.608 114.554 0.080 0.000 2.821 142 T HA -0.208 4.140 4.350 -0.003 0.000 0.267 142 T C 1.662 176.452 174.700 0.151 0.000 1.046 142 T CA 1.709 63.860 62.100 0.085 0.000 1.139 142 T CB -0.445 68.495 68.868 0.120 0.000 0.871 142 T HN 0.665 nan 8.240 nan 0.000 0.454 143 W N 1.440 122.736 121.300 -0.008 0.000 2.453 143 W HA 0.350 5.009 4.660 -0.001 0.000 0.289 143 W C 1.482 177.971 176.519 -0.050 0.000 1.215 143 W CA 0.341 57.671 57.345 -0.025 0.000 1.297 143 W CB -0.286 29.165 29.460 -0.015 0.000 1.113 143 W HN 0.273 nan 8.180 nan 0.000 0.551 144 L N -0.624 120.413 121.223 -0.311 0.000 2.738 144 L HA 0.292 4.631 4.340 -0.003 0.000 0.175 144 L C 2.583 179.373 176.870 -0.133 0.000 1.125 144 L CA 0.737 55.300 54.840 -0.461 0.000 0.857 144 L CB -1.380 40.095 42.059 -0.974 0.000 1.300 144 L HN -0.165 nan 8.230 nan 0.000 0.499 145 A N 0.815 123.640 122.820 0.008 0.000 1.948 145 A HA -0.224 4.094 4.320 -0.003 0.000 0.220 145 A C 1.907 179.428 177.584 -0.104 0.000 1.177 145 A CA 2.279 54.267 52.037 -0.081 0.000 0.636 145 A CB -0.627 18.253 19.000 -0.201 0.000 0.815 145 A HN 0.474 nan 8.150 nan 0.000 0.449 146 N N -0.324 118.334 118.700 -0.069 0.000 2.250 146 N HA -0.064 4.674 4.740 -0.003 0.000 0.181 146 N C 1.593 177.083 175.510 -0.033 0.000 1.017 146 N CA 1.192 54.210 53.050 -0.053 0.000 0.866 146 N CB -0.277 38.185 38.487 -0.041 0.000 0.985 146 N HN 0.467 nan 8.380 nan 0.000 0.429 147 E N 0.809 120.990 120.200 -0.030 0.000 2.107 147 E HA 0.026 4.375 4.350 -0.003 0.000 0.191 147 E C 2.161 178.747 176.600 -0.022 0.000 0.982 147 E CA 0.238 56.628 56.400 -0.016 0.000 0.809 147 E CB -0.099 29.599 29.700 -0.003 0.000 0.756 147 E HN 0.396 nan 8.360 nan 0.000 0.459 148 I N 2.004 122.547 120.570 -0.045 0.000 2.127 148 I HA -0.218 3.950 4.170 -0.003 0.000 0.241 148 I C -0.472 175.625 176.117 -0.033 0.000 1.075 148 I CA 1.403 62.679 61.300 -0.039 0.000 1.334 148 I CB -1.434 36.539 38.000 -0.045 0.000 1.040 148 I HN 0.099 nan 8.210 nan 0.000 0.405 149 P HA -0.090 nan 4.420 nan 0.000 0.220 149 P C 1.435 178.720 177.300 -0.026 0.000 1.152 149 P CA 1.697 64.774 63.100 -0.038 0.000 0.812 149 P CB 0.054 31.732 31.700 -0.035 0.000 0.792 150 A N 0.991 123.809 122.820 -0.004 0.000 1.908 150 A HA -0.189 4.129 4.320 -0.003 0.000 0.218 150 A C 2.443 180.052 177.584 0.042 0.000 1.181 150 A CA 1.547 53.605 52.037 0.035 0.000 0.627 150 A CB -1.176 17.860 19.000 0.061 0.000 0.818 150 A HN 0.079 nan 8.150 nan 0.000 0.445 151 R N -1.285 119.233 120.500 0.030 0.000 2.075 151 R HA -0.045 4.293 4.340 -0.003 0.000 0.232 151 R C 2.158 178.462 176.300 0.008 0.000 1.126 151 R CA 1.280 57.401 56.100 0.036 0.000 0.963 151 R CB -0.542 29.777 30.300 0.032 0.000 0.858 151 R HN 0.489 nan 8.270 nan 0.000 0.435 152 L N 0.774 121.981 121.223 -0.027 0.000 1.989 152 L HA -0.176 4.162 4.340 -0.003 0.000 0.211 152 L C 1.919 178.727 176.870 -0.104 0.000 1.071 152 L CA 2.041 56.833 54.840 -0.081 0.000 0.749 152 L CB -0.803 41.174 42.059 -0.137 0.000 0.890 152 L HN 0.099 nan 8.230 nan 0.000 0.431 153 T N 0.082 114.580 114.554 -0.094 0.000 2.720 153 T HA -0.214 4.135 4.350 -0.003 0.000 0.268 153 T C 1.915 176.541 174.700 -0.123 0.000 1.037 153 T CA 1.498 63.534 62.100 -0.107 0.000 1.144 153 T CB -0.701 68.103 68.868 -0.107 0.000 0.864 153 T HN 0.553 nan 8.240 nan 0.000 0.444 154 A N 1.687 124.439 122.820 -0.113 0.000 1.908 154 A HA -0.085 4.234 4.320 -0.003 0.000 0.218 154 A C 2.234 179.801 177.584 -0.028 0.000 1.181 154 A CA 1.264 53.228 52.037 -0.121 0.000 0.627 154 A CB -0.677 18.324 19.000 0.002 0.000 0.818 154 A HN 0.415 nan 8.150 nan 0.000 0.445 155 I N -0.123 120.449 120.570 0.004 0.000 2.226 155 I HA -0.212 3.956 4.170 -0.003 0.000 0.245 155 I C 2.455 178.599 176.117 0.045 0.000 1.100 155 I CA 1.123 62.450 61.300 0.045 0.000 1.374 155 I CB -1.453 36.594 38.000 0.078 0.000 1.057 155 I HN 0.296 nan 8.210 nan 0.000 0.413 156 L N 0.023 121.243 121.223 -0.004 0.000 2.083 156 L HA -0.176 4.162 4.340 -0.003 0.000 0.209 156 L C 2.266 179.148 176.870 0.020 0.000 1.083 156 L CA 1.234 56.069 54.840 -0.008 0.000 0.752 156 L CB -0.368 41.647 42.059 -0.072 0.000 0.899 156 L HN 0.213 nan 8.230 nan 0.000 0.433 157 L N -0.764 120.464 121.223 0.008 0.000 2.592 157 L HA 0.205 4.543 4.340 -0.003 0.000 0.227 157 L C 1.284 178.225 176.870 0.117 0.000 1.127 157 L CA 0.371 55.251 54.840 0.066 0.000 0.884 157 L CB -0.264 41.791 42.059 -0.005 0.000 1.065 157 L HN 0.439 nan 8.230 nan 0.000 0.457 158 G N 1.062 109.910 108.800 0.080 0.000 2.176 158 G HA2 -0.266 3.692 3.960 -0.003 0.000 0.252 158 G HA3 -0.266 3.692 3.960 -0.003 0.000 0.252 158 G C -0.046 174.920 174.900 0.109 0.000 1.024 158 G CA 0.049 45.202 45.100 0.088 0.000 0.755 158 G HN 0.240 nan 8.290 nan 0.000 0.507 159 L N -0.419 120.866 121.223 0.103 0.000 2.332 159 L HA 0.566 4.905 4.340 -0.003 0.000 0.269 159 L C -1.951 175.011 176.870 0.154 0.000 1.016 159 L CA -2.643 52.282 54.840 0.140 0.000 0.809 159 L CB 1.517 43.602 42.059 0.043 0.000 1.280 159 L HN -0.160 nan 8.230 nan 0.000 0.447 160 P HA 0.107 nan 4.420 nan 0.000 0.271 160 P C -2.164 175.274 177.300 0.230 0.000 1.226 160 P CA -0.945 62.270 63.100 0.192 0.000 0.765 160 P CB 0.399 32.208 31.700 0.181 0.000 0.835 161 P HA -0.104 nan 4.420 nan 0.000 0.221 161 P C 0.674 178.043 177.300 0.115 0.000 1.150 161 P CA 1.247 64.432 63.100 0.142 0.000 0.800 161 P CB 0.074 31.826 31.700 0.087 0.000 0.787 162 E N -0.259 119.982 120.200 0.068 0.000 2.365 162 E HA -0.016 4.333 4.350 -0.003 0.000 0.188 162 E C -0.217 176.339 176.600 -0.073 0.000 1.102 162 E CA 0.520 56.924 56.400 0.007 0.000 0.927 162 E CB -0.405 29.299 29.700 0.007 0.000 1.073 162 E HN 0.300 nan 8.360 nan 0.000 0.467 163 D N -0.942 119.372 120.400 -0.143 0.000 2.623 163 D HA 0.103 4.742 4.640 -0.003 0.000 0.252 163 D C 1.471 177.222 176.300 -0.915 0.000 1.294 163 D CA -0.061 53.649 54.000 -0.484 0.000 0.824 163 D CB 0.571 41.057 40.800 -0.524 0.000 1.070 163 D HN 0.191 nan 8.370 nan 0.000 0.487 164 G N 0.701 109.246 108.800 -0.425 0.000 2.503 164 G HA2 -0.318 3.641 3.960 -0.003 0.000 0.221 164 G HA3 -0.318 3.641 3.960 -0.003 0.000 0.221 164 G C 1.377 176.054 174.900 -0.372 0.000 1.131 164 G CA 0.815 45.749 45.100 -0.278 0.000 0.756 164 G HN 0.213 nan 8.290 nan 0.000 0.572 165 D N -0.008 120.183 120.400 -0.349 0.000 2.178 165 D HA -0.064 4.574 4.640 -0.003 0.000 0.201 165 D C 2.672 178.719 176.300 -0.422 0.000 0.980 165 D CA 1.379 55.202 54.000 -0.296 0.000 0.842 165 D CB -0.408 40.259 40.800 -0.222 0.000 0.948 165 D HN 0.260 nan 8.370 nan 0.000 0.472 166 T N 0.412 114.561 114.554 -0.676 0.000 2.737 166 T HA -0.143 4.205 4.350 -0.003 0.000 0.265 166 T C 1.722 175.722 174.700 -1.166 0.000 1.038 166 T CA 0.881 62.447 62.100 -0.891 0.000 1.144 166 T CB -0.353 67.906 68.868 -1.016 0.000 0.866 166 T HN 0.151 nan 8.240 nan 0.000 0.434 167 Y N 1.599 121.404 120.300 -0.824 0.000 2.181 167 Y HA 0.046 4.595 4.550 -0.003 0.000 0.288 167 Y C 2.559 178.309 175.900 -0.249 0.000 1.146 167 Y CA 0.128 57.849 58.100 -0.631 0.000 1.164 167 Y CB -0.792 37.484 38.460 -0.307 0.000 0.982 167 Y HN 0.094 nan 8.280 nan 0.000 0.515 168 R N 0.069 120.520 120.500 -0.081 0.000 2.096 168 R HA -0.164 4.175 4.340 -0.003 0.000 0.235 168 R C 2.413 178.756 176.300 0.072 0.000 1.127 168 R CA 1.429 57.538 56.100 0.016 0.000 0.968 168 R CB -0.296 29.983 30.300 -0.036 0.000 0.861 168 R HN 0.285 nan 8.270 nan 0.000 0.440 169 R N 0.129 120.597 120.500 -0.053 0.000 2.096 169 R HA -0.152 4.186 4.340 -0.003 0.000 0.235 169 R C 1.657 178.123 176.300 0.276 0.000 1.127 169 R CA 1.448 57.584 56.100 0.061 0.000 0.968 169 R CB -0.085 30.180 30.300 -0.058 0.000 0.861 169 R HN 0.227 nan 8.270 nan 0.000 0.440 170 W N 0.030 121.412 121.300 0.136 0.000 2.379 170 W HA -0.069 4.590 4.660 -0.001 0.000 0.307 170 W C 2.105 178.730 176.519 0.176 0.000 1.200 170 W CA 0.281 57.718 57.345 0.153 0.000 1.297 170 W CB -1.129 28.412 29.460 0.135 0.000 1.140 170 W HN -0.034 nan 8.180 nan 0.000 0.507 171 V N 0.019 120.171 119.914 0.396 0.000 2.332 171 V HA -0.311 3.808 4.120 -0.003 0.000 0.248 171 V C 2.155 178.363 176.094 0.190 0.000 1.055 171 V CA 1.973 64.417 62.300 0.240 0.000 1.038 171 V CB -1.017 30.919 31.823 0.189 0.000 0.651 171 V HN 0.306 nan 8.190 nan 0.000 0.450 172 W N 0.700 122.056 121.300 0.094 0.000 2.358 172 W HA -0.223 4.436 4.660 -0.002 0.000 0.303 172 W C 2.456 179.030 176.519 0.092 0.000 1.208 172 W CA 2.000 59.399 57.345 0.090 0.000 1.274 172 W CB -0.209 29.290 29.460 0.064 0.000 1.138 172 W HN 0.319 nan 8.180 nan 0.000 0.515 173 A N 0.620 123.594 122.820 0.256 0.000 1.933 173 A HA -0.187 4.131 4.320 -0.003 0.000 0.218 173 A C 1.991 179.579 177.584 0.006 0.000 1.175 173 A CA 1.833 53.967 52.037 0.162 0.000 0.628 173 A CB -1.016 18.145 19.000 0.269 0.000 0.814 173 A HN 0.329 nan 8.150 nan 0.000 0.444 174 I N -0.090 120.473 120.570 -0.011 0.000 2.315 174 I HA -0.189 3.979 4.170 -0.003 0.000 0.248 174 I C 2.650 178.495 176.117 -0.452 0.000 1.117 174 I CA 1.837 63.032 61.300 -0.174 0.000 1.404 174 I CB -0.205 37.723 38.000 -0.121 0.000 1.071 174 I HN 0.568 nan 8.210 nan 0.000 0.419 175 T N -4.205 110.016 114.554 -0.554 0.000 3.023 175 T HA 0.071 4.419 4.350 -0.003 0.000 0.249 175 T C 1.308 175.475 174.700 -0.888 0.000 1.050 175 T CA 0.497 62.097 62.100 -0.834 0.000 1.088 175 T CB -0.032 68.359 68.868 -0.794 0.000 0.946 175 T HN 0.324 nan 8.240 nan 0.000 0.480 176 H N -0.648 118.022 119.070 -0.667 0.000 3.794 176 H HA 0.492 5.047 4.556 -0.002 0.000 0.258 176 H C 0.048 175.082 175.328 -0.490 0.000 1.120 176 H CA -0.391 55.225 56.048 -0.719 0.000 1.166 176 H CB 0.834 29.728 29.762 -1.446 0.000 1.517 176 H HN 0.080 nan 8.280 nan 0.000 0.615 177 V N 3.050 122.809 119.914 -0.258 0.000 2.584 177 V HA -0.126 3.992 4.120 -0.003 0.000 0.303 177 V C 1.116 177.218 176.094 0.013 0.000 1.035 177 V CA 0.723 63.048 62.300 0.041 0.000 1.172 177 V CB 0.731 32.629 31.823 0.125 0.000 0.896 177 V HN 0.450 nan 8.190 nan 0.000 0.486 178 E N 2.789 123.031 120.200 0.071 0.000 2.076 178 E HA -0.054 4.294 4.350 -0.003 0.000 0.190 178 E C 1.145 177.761 176.600 0.027 0.000 0.979 178 E CA 0.348 56.769 56.400 0.036 0.000 0.807 178 E CB -0.209 29.529 29.700 0.065 0.000 0.761 178 E HN 0.742 nan 8.360 nan 0.000 0.454 179 N N 1.927 120.658 118.700 0.052 0.000 2.420 179 N HA -0.006 4.732 4.740 -0.003 0.000 0.262 179 N C -1.963 173.568 175.510 0.034 0.000 1.144 179 N CA -1.320 51.755 53.050 0.042 0.000 0.952 179 N CB 1.633 40.153 38.487 0.055 0.000 1.081 179 N HN -0.237 nan 8.380 nan 0.000 0.480 180 P HA -0.154 nan 4.420 nan 0.000 0.214 180 P C 0.538 177.857 177.300 0.032 0.000 1.163 180 P CA 1.576 64.683 63.100 0.011 0.000 0.889 180 P CB 0.313 32.014 31.700 0.002 0.000 0.790 181 E N 0.012 120.234 120.200 0.037 0.000 2.058 181 E HA -0.199 4.150 4.350 -0.003 0.000 0.194 181 E C 1.978 178.618 176.600 0.067 0.000 0.997 181 E CA 1.354 57.783 56.400 0.049 0.000 0.801 181 E CB -0.942 28.784 29.700 0.042 0.000 0.746 181 E HN 0.432 nan 8.360 nan 0.000 0.450 182 E N 0.195 120.437 120.200 0.070 0.000 2.110 182 E HA -0.140 4.209 4.350 -0.003 0.000 0.193 182 E C 2.225 178.893 176.600 0.113 0.000 0.988 182 E CA 0.988 57.441 56.400 0.090 0.000 0.804 182 E CB -0.329 29.426 29.700 0.092 0.000 0.745 182 E HN 0.394 nan 8.360 nan 0.000 0.458 183 G N 1.300 110.160 108.800 0.100 0.000 2.433 183 G HA2 -0.247 3.711 3.960 -0.003 0.000 0.216 183 G HA3 -0.247 3.711 3.960 -0.003 0.000 0.216 183 G C 1.718 176.701 174.900 0.139 0.000 1.186 183 G CA 0.833 45.999 45.100 0.109 0.000 0.779 183 G HN 0.353 nan 8.290 nan 0.000 0.543 184 A N 1.264 124.154 122.820 0.116 0.000 1.972 184 A HA -0.002 4.317 4.320 -0.003 0.000 0.219 184 A C 2.172 179.864 177.584 0.180 0.000 1.169 184 A CA 2.186 54.317 52.037 0.157 0.000 0.635 184 A CB -0.395 18.669 19.000 0.108 0.000 0.810 184 A HN 0.537 nan 8.150 nan 0.000 0.446 185 E N 0.259 120.539 120.200 0.133 0.000 2.150 185 E HA -0.099 4.249 4.350 -0.003 0.000 0.193 185 E C 1.589 178.261 176.600 0.120 0.000 0.985 185 E CA 1.456 57.923 56.400 0.112 0.000 0.814 185 E CB -0.442 29.313 29.700 0.092 0.000 0.752 185 E HN 0.608 nan 8.360 nan 0.000 0.466 186 I N -0.215 120.449 120.570 0.158 0.000 2.406 186 I HA -0.074 4.094 4.170 -0.003 0.000 0.249 186 I C 1.926 178.130 176.117 0.144 0.000 1.122 186 I CA 0.626 62.038 61.300 0.188 0.000 1.431 186 I CB -0.219 37.928 38.000 0.246 0.000 1.087 186 I HN 0.142 nan 8.210 nan 0.000 0.424 187 F N 2.095 122.069 119.950 0.040 0.000 2.186 187 F HA -0.109 4.416 4.527 -0.003 0.000 0.299 187 F C 2.431 178.174 175.800 -0.096 0.000 1.090 187 F CA 1.141 59.121 58.000 -0.034 0.000 1.307 187 F CB -0.277 38.732 39.000 0.016 0.000 1.019 187 F HN -0.020 nan 8.300 nan 0.000 0.489 188 A N 0.051 122.820 122.820 -0.086 0.000 2.024 188 A HA -0.200 4.118 4.320 -0.003 0.000 0.220 188 A C 2.120 179.555 177.584 -0.248 0.000 1.164 188 A CA 1.860 53.808 52.037 -0.148 0.000 0.643 188 A CB -0.792 18.223 19.000 0.025 0.000 0.806 188 A HN 0.579 nan 8.150 nan 0.000 0.451 189 E N -0.547 119.527 120.200 -0.210 0.000 2.072 189 E HA -0.141 4.207 4.350 -0.003 0.000 0.191 189 E C 2.023 178.324 176.600 -0.498 0.000 0.985 189 E CA 1.044 57.354 56.400 -0.150 0.000 0.801 189 E CB -0.268 29.473 29.700 0.068 0.000 0.750 189 E HN 0.698 nan 8.360 nan 0.000 0.452 190 L N 0.876 121.421 121.223 -1.129 0.000 2.012 190 L HA -0.196 4.142 4.340 -0.003 0.000 0.210 190 L C 2.318 178.597 176.870 -0.986 0.000 1.073 190 L CA 1.144 54.941 54.840 -1.737 0.000 0.748 190 L CB -0.195 40.924 42.059 -1.566 0.000 0.891 190 L HN -0.017 nan 8.230 nan 0.000 0.431 191 V N 0.598 119.970 119.914 -0.904 0.000 2.332 191 V HA -0.328 3.790 4.120 -0.003 0.000 0.248 191 V C 2.904 178.749 176.094 -0.414 0.000 1.055 191 V CA 1.785 63.676 62.300 -0.681 0.000 1.038 191 V CB -1.132 30.346 31.823 -0.575 0.000 0.651 191 V HN 0.658 nan 8.190 nan 0.000 0.450 192 A N -1.334 121.317 122.820 -0.282 0.000 1.902 192 A HA -0.245 4.074 4.320 -0.003 0.000 0.217 192 A C 2.109 179.607 177.584 -0.144 0.000 1.181 192 A CA 1.771 53.718 52.037 -0.150 0.000 0.623 192 A CB -0.816 18.150 19.000 -0.057 0.000 0.818 192 A HN 0.690 nan 8.150 nan 0.000 0.443 193 H N -0.801 118.113 119.070 -0.260 0.000 2.387 193 H HA -0.055 4.499 4.556 -0.003 0.000 0.299 193 H C 2.537 177.679 175.328 -0.310 0.000 1.090 193 H CA 1.120 57.074 56.048 -0.157 0.000 1.332 193 H CB -0.018 29.767 29.762 0.038 0.000 1.386 193 H HN 0.565 nan 8.280 nan 0.000 0.516 194 A N 1.384 123.933 122.820 -0.452 0.000 1.898 194 A HA -0.163 4.156 4.320 -0.003 0.000 0.216 194 A C 2.430 179.758 177.584 -0.426 0.000 1.181 194 A CA 1.030 52.612 52.037 -0.758 0.000 0.620 194 A CB -0.364 18.028 19.000 -1.014 0.000 0.819 194 A HN 0.303 nan 8.150 nan 0.000 0.442 195 R N -0.863 119.456 120.500 -0.302 0.000 2.083 195 R HA -0.110 4.229 4.340 -0.003 0.000 0.237 195 R C 2.293 178.506 176.300 -0.144 0.000 1.137 195 R CA 1.952 57.940 56.100 -0.188 0.000 0.951 195 R CB -0.806 29.412 30.300 -0.137 0.000 0.851 195 R HN 0.541 nan 8.270 nan 0.000 0.434 196 T N 2.066 116.535 114.554 -0.142 0.000 2.746 196 T HA -0.111 4.237 4.350 -0.003 0.000 0.267 196 T C 1.685 176.334 174.700 -0.084 0.000 1.039 196 T CA 0.881 62.919 62.100 -0.104 0.000 1.142 196 T CB -0.179 68.620 68.868 -0.115 0.000 0.866 196 T HN 0.121 nan 8.240 nan 0.000 0.444 197 L N 1.020 122.180 121.223 -0.105 0.000 2.017 197 L HA -0.037 4.301 4.340 -0.003 0.000 0.208 197 L C 2.258 179.088 176.870 -0.067 0.000 1.073 197 L CA 1.829 56.627 54.840 -0.069 0.000 0.745 197 L CB -0.870 41.132 42.059 -0.095 0.000 0.894 197 L HN 0.316 nan 8.230 nan 0.000 0.432 198 I N 0.334 120.839 120.570 -0.108 0.000 2.226 198 I HA -0.274 3.895 4.170 -0.003 0.000 0.245 198 I C 2.797 178.889 176.117 -0.043 0.000 1.100 198 I CA 1.208 62.465 61.300 -0.072 0.000 1.374 198 I CB -0.462 37.484 38.000 -0.089 0.000 1.057 198 I HN 0.300 nan 8.210 nan 0.000 0.413 199 A N 0.389 123.181 122.820 -0.047 0.000 1.930 199 A HA -0.179 4.140 4.320 -0.003 0.000 0.217 199 A C 2.231 179.803 177.584 -0.020 0.000 1.175 199 A CA 1.419 53.438 52.037 -0.030 0.000 0.627 199 A CB -0.420 18.560 19.000 -0.034 0.000 0.815 199 A HN 0.412 nan 8.150 nan 0.000 0.443 200 E N -0.358 119.829 120.200 -0.021 0.000 2.106 200 E HA -0.143 4.205 4.350 -0.003 0.000 0.192 200 E C 2.081 178.680 176.600 -0.002 0.000 0.984 200 E CA 0.662 57.056 56.400 -0.009 0.000 0.806 200 E CB -0.276 29.422 29.700 -0.004 0.000 0.750 200 E HN 0.359 nan 8.360 nan 0.000 0.458 201 R N 0.977 121.475 120.500 -0.003 0.000 2.115 201 R HA -0.039 4.300 4.340 -0.003 0.000 0.230 201 R C 2.236 178.536 176.300 0.000 0.000 1.111 201 R CA 0.646 56.748 56.100 0.003 0.000 0.976 201 R CB -0.600 29.704 30.300 0.007 0.000 0.870 201 R HN 0.041 nan 8.270 nan 0.000 0.445 202 R N 0.787 121.285 120.500 -0.004 0.000 2.103 202 R HA -0.119 4.219 4.340 -0.003 0.000 0.242 202 R C 1.997 178.297 176.300 -0.001 0.000 1.142 202 R CA 2.485 58.584 56.100 -0.003 0.000 0.960 202 R CB -0.567 29.730 30.300 -0.005 0.000 0.858 202 R HN 0.421 nan 8.270 nan 0.000 0.439 203 T N -3.753 110.800 114.554 -0.001 0.000 3.039 203 T HA 0.117 4.466 4.350 -0.003 0.000 0.250 203 T C 0.832 175.533 174.700 0.002 0.000 1.052 203 T CA 0.196 62.296 62.100 0.000 0.000 1.125 203 T CB 0.013 68.880 68.868 -0.001 0.000 0.908 203 T HN 0.099 nan 8.240 nan 0.000 0.473 204 N N 2.627 121.329 118.700 0.003 0.000 2.844 204 N HA 0.356 5.095 4.740 -0.003 0.000 0.268 204 N C -3.125 172.390 175.510 0.007 0.000 1.574 204 N CA -1.293 51.760 53.050 0.005 0.000 0.838 204 N CB 1.354 39.845 38.487 0.007 0.000 1.177 204 N HN 0.228 nan 8.380 nan 0.000 0.495 205 P HA 0.228 nan 4.420 nan 0.000 0.270 205 P C 0.265 177.570 177.300 0.008 0.000 1.223 205 P CA -0.071 63.033 63.100 0.006 0.000 0.785 205 P CB 1.107 32.808 31.700 0.002 0.000 0.923 206 G N 0.654 109.460 108.800 0.010 0.000 3.257 206 G HA2 0.190 4.149 3.960 -0.003 0.000 0.205 206 G HA3 0.190 4.149 3.960 -0.003 0.000 0.205 206 G C 0.047 174.950 174.900 0.005 0.000 1.234 206 G CA -0.414 44.692 45.100 0.011 0.000 0.918 206 G HN 0.398 nan 8.290 nan 0.000 0.602 207 N N 1.236 119.939 118.700 0.005 0.000 2.214 207 N HA 0.101 4.839 4.740 -0.003 0.000 0.214 207 N C -0.213 175.299 175.510 0.003 0.000 1.132 207 N CA -0.039 53.009 53.050 -0.003 0.000 0.856 207 N CB 0.597 39.075 38.487 -0.014 0.000 1.020 207 N HN 0.671 nan 8.380 nan 0.000 0.509 208 D N 0.048 120.459 120.400 0.018 0.000 2.398 208 D HA 0.082 4.720 4.640 -0.003 0.000 0.247 208 D C 1.464 177.773 176.300 0.014 0.000 1.227 208 D CA -0.469 53.548 54.000 0.029 0.000 0.980 208 D CB 1.464 42.292 40.800 0.047 0.000 1.106 208 D HN -0.112 nan 8.370 nan 0.000 0.493 209 I N -0.609 119.970 120.570 0.016 0.000 2.315 209 I HA -0.235 3.934 4.170 -0.003 0.000 0.248 209 I C 2.394 178.514 176.117 0.005 0.000 1.117 209 I CA 0.711 62.014 61.300 0.005 0.000 1.404 209 I CB -0.223 37.793 38.000 0.026 0.000 1.071 209 I HN 0.233 nan 8.210 nan 0.000 0.419 210 M N 0.304 119.933 119.600 0.049 0.000 2.086 210 M HA -0.160 4.318 4.480 -0.003 0.000 0.261 210 M C 2.594 178.901 176.300 0.011 0.000 1.067 210 M CA 1.652 56.986 55.300 0.058 0.000 1.116 210 M CB -1.246 31.432 32.600 0.130 0.000 1.348 210 M HN 0.114 nan 8.290 nan 0.000 0.407 211 S N -0.097 115.612 115.700 0.016 0.000 2.374 211 S HA -0.192 4.276 4.470 -0.003 0.000 0.227 211 S C 1.957 176.547 174.600 -0.016 0.000 1.037 211 S CA 1.537 59.739 58.200 0.003 0.000 1.024 211 S CB -0.384 62.820 63.200 0.008 0.000 0.861 211 S HN 0.423 nan 8.310 nan 0.000 0.456 212 R N 1.050 121.534 120.500 -0.027 0.000 2.073 212 R HA -0.120 4.218 4.340 -0.003 0.000 0.234 212 R C 2.327 178.582 176.300 -0.074 0.000 1.134 212 R CA 1.959 58.032 56.100 -0.044 0.000 0.952 212 R CB -0.499 29.773 30.300 -0.045 0.000 0.850 212 R HN 0.452 nan 8.270 nan 0.000 0.433 213 V N -1.317 118.519 119.914 -0.131 0.000 2.515 213 V HA -0.109 4.009 4.120 -0.003 0.000 0.250 213 V C 2.174 178.212 176.094 -0.093 0.000 1.058 213 V CA 1.471 63.647 62.300 -0.206 0.000 1.064 213 V CB -0.616 30.910 31.823 -0.495 0.000 0.675 213 V HN 0.264 nan 8.190 nan 0.000 0.461 214 I N -0.258 120.282 120.570 -0.050 0.000 2.493 214 I HA -0.116 4.052 4.170 -0.003 0.000 0.254 214 I C 2.349 178.464 176.117 -0.004 0.000 1.160 214 I CA 1.421 62.715 61.300 -0.012 0.000 1.445 214 I CB -0.226 37.770 38.000 -0.005 0.000 1.086 214 I HN 0.295 nan 8.210 nan 0.000 0.433 215 M N -0.479 119.113 119.600 -0.013 0.000 2.428 215 M HA 0.163 4.641 4.480 -0.003 0.000 0.239 215 M C 0.926 177.224 176.300 -0.003 0.000 1.121 215 M CA 0.328 55.625 55.300 -0.005 0.000 1.019 215 M CB -0.483 32.113 32.600 -0.008 0.000 1.485 215 M HN -0.032 nan 8.290 nan 0.000 0.484 216 S N 1.355 117.051 115.700 -0.008 0.000 2.634 216 S HA 0.456 4.924 4.470 -0.003 0.000 0.261 216 S C 0.304 174.919 174.600 0.025 0.000 1.271 216 S CA -0.348 57.852 58.200 0.001 0.000 0.985 216 S CB 1.187 64.379 63.200 -0.012 0.000 0.968 216 S HN 0.219 nan 8.310 nan 0.000 0.568 217 K N 0.638 121.056 120.400 0.029 0.000 2.525 217 K HA 0.481 4.800 4.320 -0.003 0.000 0.254 217 K C -1.523 175.096 176.600 0.032 0.000 0.934 217 K CA -0.345 55.964 56.287 0.037 0.000 0.802 217 K CB 1.829 34.343 32.500 0.023 0.000 1.295 217 K HN 0.429 nan 8.250 nan 0.000 0.433 218 I N 2.660 123.252 120.570 0.036 0.000 2.382 218 I HA 0.121 4.289 4.170 -0.003 0.000 0.286 218 I C -0.566 175.546 176.117 -0.009 0.000 1.002 218 I CA -0.385 60.914 61.300 -0.002 0.000 1.135 218 I CB 1.436 39.412 38.000 -0.041 0.000 1.288 218 I HN 0.696 nan 8.210 nan 0.000 0.448 219 D N 5.584 125.974 120.400 -0.016 0.000 2.723 219 D HA -0.186 4.452 4.640 -0.003 0.000 0.236 219 D C 1.048 177.348 176.300 0.000 0.000 1.138 219 D CA 1.524 55.516 54.000 -0.012 0.000 0.676 219 D CB -0.899 39.889 40.800 -0.020 0.000 1.069 219 D HN 1.144 nan 8.370 nan 0.000 0.430 220 G N -0.736 108.067 108.800 0.005 0.000 2.258 220 G HA2 -0.320 3.639 3.960 -0.003 0.000 0.233 220 G HA3 -0.320 3.639 3.960 -0.003 0.000 0.233 220 G C 0.179 175.089 174.900 0.017 0.000 1.006 220 G CA 0.623 45.729 45.100 0.009 0.000 0.620 220 G HN 0.580 nan 8.290 nan 0.000 0.511 221 E N 0.931 121.146 120.200 0.025 0.000 2.277 221 E HA 0.679 5.027 4.350 -0.003 0.000 0.266 221 E C 0.608 177.238 176.600 0.050 0.000 0.901 221 E CA 0.139 56.560 56.400 0.035 0.000 0.782 221 E CB 1.412 31.135 29.700 0.038 0.000 1.228 221 E HN 0.625 nan 8.360 nan 0.000 0.424 222 S N 2.550 118.281 115.700 0.051 0.000 2.584 222 S HA 0.276 4.744 4.470 -0.003 0.000 0.270 222 S C 0.386 175.042 174.600 0.094 0.000 1.346 222 S CA -0.687 57.550 58.200 0.062 0.000 1.018 222 S CB 0.198 63.426 63.200 0.047 0.000 0.899 222 S HN 0.484 nan 8.310 nan 0.000 0.542 223 L N 2.346 123.642 121.223 0.123 0.000 2.436 223 L HA 0.279 4.618 4.340 -0.003 0.000 0.265 223 L C 1.173 178.122 176.870 0.132 0.000 1.168 223 L CA -0.660 54.285 54.840 0.175 0.000 0.815 223 L CB 0.635 42.838 42.059 0.241 0.000 1.109 223 L HN 0.980 nan 8.230 nan 0.000 0.462 224 S N 0.005 115.789 115.700 0.140 0.000 2.600 224 S HA 0.006 4.474 4.470 -0.003 0.000 0.265 224 S C 0.861 175.525 174.600 0.107 0.000 1.325 224 S CA -0.454 57.812 58.200 0.110 0.000 1.002 224 S CB 1.168 64.435 63.200 0.111 0.000 0.921 224 S HN 0.773 nan 8.310 nan 0.000 0.554 225 E N 0.591 120.844 120.200 0.089 0.000 2.110 225 E HA -0.228 4.120 4.350 -0.003 0.000 0.193 225 E C 0.814 177.478 176.600 0.107 0.000 0.988 225 E CA 1.572 58.016 56.400 0.072 0.000 0.804 225 E CB -0.221 29.511 29.700 0.053 0.000 0.745 225 E HN 0.740 nan 8.360 nan 0.000 0.458 226 D N 0.797 121.306 120.400 0.181 0.000 2.117 226 D HA -0.158 4.481 4.640 -0.003 0.000 0.197 226 D C 1.506 177.938 176.300 0.219 0.000 0.987 226 D CA 1.049 55.243 54.000 0.323 0.000 0.829 226 D CB -0.332 40.649 40.800 0.302 0.000 0.961 226 D HN 0.221 nan 8.370 nan 0.000 0.460 227 D N 0.005 120.485 120.400 0.134 0.000 2.144 227 D HA -0.067 4.571 4.640 -0.003 0.000 0.199 227 D C 2.317 178.703 176.300 0.144 0.000 0.984 227 D CA 0.354 54.382 54.000 0.047 0.000 0.834 227 D CB -0.198 40.631 40.800 0.049 0.000 0.955 227 D HN 0.235 nan 8.370 nan 0.000 0.465 228 L N 0.374 121.710 121.223 0.190 0.000 2.093 228 L HA -0.095 4.244 4.340 -0.003 0.000 0.208 228 L C 2.454 179.423 176.870 0.165 0.000 1.085 228 L CA 0.613 55.589 54.840 0.226 0.000 0.755 228 L CB -0.253 41.869 42.059 0.106 0.000 0.904 228 L HN 0.019 nan 8.230 nan 0.000 0.435 229 I N -0.157 120.427 120.570 0.023 0.000 2.394 229 I HA -0.170 3.999 4.170 -0.003 0.000 0.251 229 I C 2.553 178.675 176.117 0.009 0.000 1.136 229 I CA 1.223 62.452 61.300 -0.118 0.000 1.425 229 I CB -0.668 37.039 38.000 -0.488 0.000 1.079 229 I HN 0.262 nan 8.210 nan 0.000 0.425 230 G N 0.370 109.189 108.800 0.031 0.000 2.408 230 G HA2 -0.205 3.754 3.960 -0.003 0.000 0.217 230 G HA3 -0.205 3.754 3.960 -0.003 0.000 0.217 230 G C 1.554 176.437 174.900 -0.028 0.000 1.150 230 G CA 0.324 45.420 45.100 -0.006 0.000 0.776 230 G HN 0.234 nan 8.290 nan 0.000 0.542 231 F N -0.313 119.663 119.950 0.043 0.000 2.113 231 F HA 0.062 4.587 4.527 -0.003 0.000 0.297 231 F C 2.255 178.124 175.800 0.116 0.000 1.103 231 F CA 1.089 59.127 58.000 0.062 0.000 1.248 231 F CB -0.283 38.757 39.000 0.067 0.000 0.999 231 F HN 0.155 nan 8.300 nan 0.000 0.475 232 F N 0.869 120.926 119.950 0.178 0.000 2.095 232 F HA -0.249 4.276 4.527 -0.003 0.000 0.298 232 F C 2.406 178.249 175.800 0.071 0.000 1.104 232 F CA 2.144 60.198 58.000 0.090 0.000 1.232 232 F CB -0.882 38.124 39.000 0.011 0.000 0.987 232 F HN -0.178 nan 8.300 nan 0.000 0.475 233 T N 1.242 115.921 114.554 0.210 0.000 2.701 233 T HA -0.200 4.148 4.350 -0.003 0.000 0.263 233 T C 2.174 176.912 174.700 0.063 0.000 1.040 233 T CA 1.748 63.931 62.100 0.138 0.000 1.147 233 T CB -0.566 68.446 68.868 0.240 0.000 0.865 233 T HN 0.397 nan 8.240 nan 0.000 0.426 234 I N 0.634 121.237 120.570 0.055 0.000 2.315 234 I HA -0.095 4.073 4.170 -0.003 0.000 0.248 234 I C 1.920 178.046 176.117 0.016 0.000 1.117 234 I CA 1.182 62.501 61.300 0.031 0.000 1.404 234 I CB -0.045 37.950 38.000 -0.009 0.000 1.071 234 I HN 0.231 nan 8.210 nan 0.000 0.419 235 L N -0.236 121.000 121.223 0.021 0.000 2.093 235 L HA -0.199 4.139 4.340 -0.003 0.000 0.208 235 L C 2.453 179.291 176.870 -0.053 0.000 1.085 235 L CA 0.622 55.473 54.840 0.018 0.000 0.755 235 L CB -0.611 41.504 42.059 0.093 0.000 0.904 235 L HN 0.310 nan 8.230 nan 0.000 0.435 236 L N -0.019 121.115 121.223 -0.148 0.000 2.046 236 L HA -0.189 4.149 4.340 -0.003 0.000 0.208 236 L C 2.324 179.170 176.870 -0.040 0.000 1.077 236 L CA 1.707 56.441 54.840 -0.176 0.000 0.747 236 L CB -0.417 41.472 42.059 -0.283 0.000 0.896 236 L HN 0.096 nan 8.230 nan 0.000 0.432 237 L N -1.024 120.206 121.223 0.011 0.000 2.017 237 L HA -0.137 4.201 4.340 -0.003 0.000 0.208 237 L C 2.542 179.433 176.870 0.035 0.000 1.073 237 L CA 1.373 56.245 54.840 0.053 0.000 0.745 237 L CB -1.429 40.696 42.059 0.109 0.000 0.894 237 L HN 0.430 nan 8.230 nan 0.000 0.432 238 G N -0.406 108.404 108.800 0.017 0.000 2.505 238 G HA2 -0.248 3.710 3.960 -0.003 0.000 0.220 238 G HA3 -0.248 3.710 3.960 -0.003 0.000 0.220 238 G C 1.497 176.397 174.900 0.001 0.000 1.145 238 G CA 0.977 46.078 45.100 0.003 0.000 0.761 238 G HN 0.513 nan 8.290 nan 0.000 0.571 239 G N 0.766 109.563 108.800 -0.006 0.000 2.456 239 G HA2 -0.025 3.933 3.960 -0.003 0.000 0.213 239 G HA3 -0.025 3.933 3.960 -0.003 0.000 0.213 239 G C 1.615 176.512 174.900 -0.006 0.000 1.215 239 G CA 0.764 45.856 45.100 -0.013 0.000 0.805 239 G HN 0.243 nan 8.290 nan 0.000 0.537 240 I N 1.531 122.103 120.570 0.003 0.000 2.361 240 I HA -0.055 4.113 4.170 -0.003 0.000 0.251 240 I C 2.014 178.145 176.117 0.024 0.000 1.133 240 I CA 1.177 62.490 61.300 0.022 0.000 1.413 240 I CB -0.646 37.388 38.000 0.056 0.000 1.073 240 I HN 0.168 nan 8.210 nan 0.000 0.424 241 D N 0.270 120.685 120.400 0.026 0.000 2.628 241 D HA -0.051 4.588 4.640 -0.003 0.000 0.258 241 D C 1.740 178.045 176.300 0.007 0.000 1.165 241 D CA 0.759 54.772 54.000 0.022 0.000 0.991 241 D CB -0.125 40.694 40.800 0.030 0.000 1.104 241 D HN 0.011 nan 8.370 nan 0.000 0.438 242 N N -0.132 118.579 118.700 0.018 0.000 2.011 242 N HA -0.148 4.590 4.740 -0.003 0.000 0.199 242 N C 1.792 177.321 175.510 0.031 0.000 1.047 242 N CA 2.396 55.456 53.050 0.016 0.000 0.863 242 N CB -1.025 37.467 38.487 0.009 0.000 1.056 242 N HN 0.219 nan 8.380 nan 0.000 0.427 243 T N 0.484 115.054 114.554 0.026 0.000 2.720 243 T HA -0.083 4.265 4.350 -0.003 0.000 0.268 243 T C 1.960 176.671 174.700 0.018 0.000 1.037 243 T CA 1.460 63.592 62.100 0.054 0.000 1.144 243 T CB -0.591 68.289 68.868 0.021 0.000 0.864 243 T HN 0.394 nan 8.240 nan 0.000 0.444 244 A N 2.120 124.922 122.820 -0.030 0.000 1.883 244 A HA -0.145 4.173 4.320 -0.003 0.000 0.217 244 A C 2.429 179.935 177.584 -0.130 0.000 1.186 244 A CA 1.189 53.174 52.037 -0.086 0.000 0.624 244 A CB -0.372 18.589 19.000 -0.065 0.000 0.822 244 A HN 0.231 nan 8.150 nan 0.000 0.444 245 R N -1.456 118.985 120.500 -0.099 0.000 2.075 245 R HA -0.082 4.257 4.340 -0.003 0.000 0.232 245 R C 2.006 178.226 176.300 -0.133 0.000 1.126 245 R CA 1.406 57.408 56.100 -0.162 0.000 0.963 245 R CB -1.210 28.990 30.300 -0.167 0.000 0.858 245 R HN 0.691 nan 8.270 nan 0.000 0.435 246 F N 1.667 121.518 119.950 -0.165 0.000 2.051 246 F HA -0.186 4.341 4.527 -0.002 0.000 0.296 246 F C 2.159 177.826 175.800 -0.222 0.000 1.122 246 F CA 1.422 59.347 58.000 -0.125 0.000 1.201 246 F CB -0.273 38.682 39.000 -0.076 0.000 0.978 246 F HN -0.131 nan 8.300 nan 0.000 0.472 247 L N -0.177 120.701 121.223 -0.575 0.000 2.079 247 L HA -0.260 4.079 4.340 -0.003 0.000 0.210 247 L C 2.536 178.811 176.870 -0.990 0.000 1.081 247 L CA 1.430 55.701 54.840 -0.949 0.000 0.752 247 L CB -0.942 40.663 42.059 -0.758 0.000 0.896 247 L HN 0.176 nan 8.230 nan 0.000 0.433 248 S N -0.688 114.675 115.700 -0.561 0.000 2.368 248 S HA -0.172 4.297 4.470 -0.003 0.000 0.225 248 S C 2.203 176.663 174.600 -0.233 0.000 1.030 248 S CA 1.589 59.589 58.200 -0.334 0.000 0.999 248 S CB -0.149 62.915 63.200 -0.227 0.000 0.844 248 S HN 0.359 nan 8.310 nan 0.000 0.459 249 S N 0.933 116.445 115.700 -0.312 0.000 2.382 249 S HA -0.042 4.426 4.470 -0.003 0.000 0.228 249 S C 1.986 176.365 174.600 -0.370 0.000 1.027 249 S CA 0.820 58.863 58.200 -0.263 0.000 0.991 249 S CB -0.315 62.727 63.200 -0.262 0.000 0.823 249 S HN 0.306 nan 8.310 nan 0.000 0.469 250 V N 1.288 120.876 119.914 -0.544 0.000 2.307 250 V HA -0.154 3.965 4.120 -0.003 0.000 0.245 250 V C 1.825 177.891 176.094 -0.047 0.000 1.045 250 V CA 1.677 63.719 62.300 -0.429 0.000 1.024 250 V CB -0.795 30.646 31.823 -0.636 0.000 0.651 250 V HN 0.535 nan 8.190 nan 0.000 0.449 251 F N -1.406 118.497 119.950 -0.078 0.000 2.171 251 F HA -0.259 4.268 4.527 0.000 0.000 0.300 251 F C 2.322 178.266 175.800 0.240 0.000 1.090 251 F CA 1.610 59.666 58.000 0.094 0.000 1.293 251 F CB -0.402 38.543 39.000 -0.091 0.000 1.013 251 F HN 0.335 nan 8.300 nan 0.000 0.486 252 W N 1.946 123.367 121.300 0.202 0.000 2.335 252 W HA -0.259 4.400 4.660 -0.003 0.000 0.311 252 W C 2.657 179.277 176.519 0.168 0.000 1.213 252 W CA 1.840 59.320 57.345 0.225 0.000 1.274 252 W CB -0.456 29.111 29.460 0.179 0.000 1.148 252 W HN -0.187 nan 8.180 nan 0.000 0.498 253 R N 0.652 121.149 120.500 -0.006 0.000 2.083 253 R HA -0.153 4.186 4.340 -0.003 0.000 0.237 253 R C 2.239 178.108 176.300 -0.719 0.000 1.137 253 R CA 2.351 58.127 56.100 -0.540 0.000 0.951 253 R CB -1.229 28.962 30.300 -0.182 0.000 0.851 253 R HN 0.401 nan 8.270 nan 0.000 0.434 254 L N -0.070 121.007 121.223 -0.242 0.000 2.265 254 L HA -0.038 4.300 4.340 -0.003 0.000 0.215 254 L C 2.358 179.001 176.870 -0.379 0.000 1.117 254 L CA 1.003 55.731 54.840 -0.187 0.000 0.782 254 L CB -0.514 41.666 42.059 0.201 0.000 0.914 254 L HN 0.328 nan 8.230 nan 0.000 0.441 255 A N 0.513 123.190 122.820 -0.239 0.000 1.930 255 A HA -0.180 4.138 4.320 -0.003 0.000 0.217 255 A C 2.052 179.419 177.584 -0.362 0.000 1.175 255 A CA 1.433 53.254 52.037 -0.359 0.000 0.627 255 A CB -0.543 18.551 19.000 0.157 0.000 0.815 255 A HN 0.730 nan 8.150 nan 0.000 0.443 256 W N -1.319 119.747 121.300 -0.389 0.000 2.915 256 W HA 0.250 4.907 4.660 -0.004 0.000 0.276 256 W C -0.441 175.915 176.519 -0.271 0.000 1.215 256 W CA 0.447 57.594 57.345 -0.330 0.000 1.514 256 W CB -0.230 29.010 29.460 -0.367 0.000 1.017 256 W HN 0.268 nan 8.180 nan 0.000 0.598 257 D N 3.629 123.434 120.400 -0.992 0.000 2.517 257 D HA 0.070 4.708 4.640 -0.003 0.000 0.220 257 D C 1.690 177.734 176.300 -0.426 0.000 1.158 257 D CA -0.124 53.373 54.000 -0.838 0.000 0.992 257 D CB -0.229 39.839 40.800 -1.220 0.000 1.058 257 D HN 0.355 nan 8.370 nan 0.000 0.516 258 I N -0.442 119.981 120.570 -0.246 0.000 2.700 258 I HA -0.095 4.074 4.170 -0.003 0.000 0.261 258 I C 1.690 177.717 176.117 -0.149 0.000 1.219 258 I CA 0.747 61.930 61.300 -0.195 0.000 1.463 258 I CB 0.002 37.926 38.000 -0.127 0.000 1.092 258 I HN 0.204 nan 8.210 nan 0.000 0.452 259 E N 1.506 121.625 120.200 -0.135 0.000 2.033 259 E HA -0.204 4.145 4.350 -0.003 0.000 0.189 259 E C 2.214 178.752 176.600 -0.103 0.000 0.979 259 E CA 1.090 57.434 56.400 -0.093 0.000 0.802 259 E CB -0.051 29.609 29.700 -0.067 0.000 0.763 259 E HN 0.480 nan 8.360 nan 0.000 0.449 260 L N 1.694 122.826 121.223 -0.151 0.000 2.012 260 L HA -0.185 4.153 4.340 -0.003 0.000 0.210 260 L C 2.455 179.260 176.870 -0.108 0.000 1.073 260 L CA 1.893 56.654 54.840 -0.132 0.000 0.748 260 L CB -0.578 41.366 42.059 -0.192 0.000 0.891 260 L HN 0.046 nan 8.230 nan 0.000 0.431 261 R N -0.022 120.386 120.500 -0.154 0.000 2.080 261 R HA -0.232 4.106 4.340 -0.003 0.000 0.236 261 R C 2.520 178.769 176.300 -0.085 0.000 1.137 261 R CA 2.077 58.103 56.100 -0.124 0.000 0.943 261 R CB -0.312 29.870 30.300 -0.195 0.000 0.846 261 R HN 0.621 nan 8.270 nan 0.000 0.431 262 R N -0.003 120.444 120.500 -0.088 0.000 2.120 262 R HA -0.113 4.226 4.340 -0.003 0.000 0.234 262 R C 2.109 178.383 176.300 -0.043 0.000 1.123 262 R CA 1.525 57.586 56.100 -0.066 0.000 0.975 262 R CB -0.444 29.819 30.300 -0.062 0.000 0.866 262 R HN 0.196 nan 8.270 nan 0.000 0.446 263 R N 0.796 121.286 120.500 -0.016 0.000 2.092 263 R HA 0.054 4.393 4.340 -0.003 0.000 0.231 263 R C 2.359 178.696 176.300 0.061 0.000 1.119 263 R CA 1.342 57.472 56.100 0.050 0.000 0.970 263 R CB -0.309 30.034 30.300 0.072 0.000 0.864 263 R HN 0.261 nan 8.270 nan 0.000 0.440 264 L N 0.286 121.524 121.223 0.025 0.000 2.141 264 L HA -0.117 4.222 4.340 -0.003 0.000 0.209 264 L C 2.267 179.144 176.870 0.012 0.000 1.094 264 L CA 1.087 55.949 54.840 0.037 0.000 0.763 264 L CB -0.335 41.741 42.059 0.028 0.000 0.908 264 L HN 0.194 nan 8.230 nan 0.000 0.437 265 I N 0.046 120.602 120.570 -0.024 0.000 2.353 265 I HA -0.206 3.962 4.170 -0.003 0.000 0.248 265 I C 2.700 178.769 176.117 -0.079 0.000 1.119 265 I CA 1.090 62.362 61.300 -0.046 0.000 1.417 265 I CB -0.308 37.657 38.000 -0.058 0.000 1.078 265 I HN 0.167 nan 8.210 nan 0.000 0.421 266 A N -0.806 121.937 122.820 -0.129 0.000 2.016 266 A HA -0.069 4.250 4.320 -0.003 0.000 0.217 266 A C 1.031 178.342 177.584 -0.455 0.000 1.162 266 A CA 1.035 52.901 52.037 -0.285 0.000 0.662 266 A CB -0.232 18.558 19.000 -0.349 0.000 0.812 266 A HN 0.397 nan 8.150 nan 0.000 0.450 267 H N -0.695 118.373 119.070 -0.004 0.000 2.336 267 H HA 0.196 4.751 4.556 -0.002 0.000 0.230 267 H C -2.026 173.307 175.328 0.009 0.000 1.426 267 H CA -1.655 54.395 56.048 0.003 0.000 1.359 267 H CB 0.534 30.298 29.762 0.004 0.000 1.555 267 H HN 0.343 nan 8.280 nan 0.000 0.512 268 P HA -0.192 nan 4.420 nan 0.000 0.219 268 P C 1.378 178.723 177.300 0.074 0.000 1.146 268 P CA 1.118 64.255 63.100 0.061 0.000 0.808 268 P CB 0.446 32.166 31.700 0.033 0.000 0.779 269 E N 0.275 120.529 120.200 0.089 0.000 2.338 269 E HA -0.116 4.232 4.350 -0.003 0.000 0.197 269 E C 1.391 178.032 176.600 0.069 0.000 1.007 269 E CA 0.793 57.238 56.400 0.075 0.000 0.849 269 E CB -0.837 28.907 29.700 0.074 0.000 0.774 269 E HN 0.239 nan 8.360 nan 0.000 0.506 270 L N 0.751 122.024 121.223 0.083 0.000 2.592 270 L HA 0.198 4.536 4.340 -0.003 0.000 0.227 270 L C 2.210 179.121 176.870 0.068 0.000 1.127 270 L CA 0.269 55.146 54.840 0.062 0.000 0.884 270 L CB -0.194 41.895 42.059 0.050 0.000 1.065 270 L HN 0.057 nan 8.230 nan 0.000 0.457 271 I N 0.548 121.162 120.570 0.073 0.000 2.208 271 I HA -0.228 3.941 4.170 -0.003 0.000 0.245 271 I C -0.301 175.863 176.117 0.079 0.000 1.097 271 I CA 1.396 62.741 61.300 0.075 0.000 1.363 271 I CB -1.120 36.923 38.000 0.072 0.000 1.051 271 I HN 0.250 nan 8.210 nan 0.000 0.413 272 P HA -0.135 nan 4.420 nan 0.000 0.216 272 P C 1.206 178.558 177.300 0.086 0.000 1.153 272 P CA 1.509 64.654 63.100 0.076 0.000 0.848 272 P CB -0.052 31.689 31.700 0.068 0.000 0.787 273 N N -0.871 117.876 118.700 0.078 0.000 2.244 273 N HA -0.108 4.630 4.740 -0.003 0.000 0.183 273 N C 1.607 177.173 175.510 0.094 0.000 1.016 273 N CA 1.191 54.291 53.050 0.083 0.000 0.866 273 N CB -0.642 37.883 38.487 0.063 0.000 0.980 273 N HN -0.057 nan 8.380 nan 0.000 0.430 274 A N -0.314 122.558 122.820 0.087 0.000 1.930 274 A HA -0.055 4.263 4.320 -0.003 0.000 0.217 274 A C 2.291 179.953 177.584 0.131 0.000 1.175 274 A CA 1.134 53.226 52.037 0.092 0.000 0.627 274 A CB -0.718 18.329 19.000 0.078 0.000 0.815 274 A HN 0.159 nan 8.150 nan 0.000 0.443 275 V N 0.661 120.659 119.914 0.140 0.000 2.407 275 V HA -0.226 3.893 4.120 -0.003 0.000 0.248 275 V C 2.039 178.249 176.094 0.192 0.000 1.055 275 V CA 2.300 64.715 62.300 0.193 0.000 1.049 275 V CB -0.707 31.214 31.823 0.163 0.000 0.662 275 V HN 0.510 nan 8.190 nan 0.000 0.455 276 D N -0.428 120.065 120.400 0.155 0.000 2.149 276 D HA -0.148 4.490 4.640 -0.003 0.000 0.201 276 D C 2.164 178.548 176.300 0.140 0.000 0.972 276 D CA 1.185 55.289 54.000 0.174 0.000 0.835 276 D CB -0.105 40.820 40.800 0.209 0.000 0.966 276 D HN 0.490 nan 8.370 nan 0.000 0.476 277 E N 0.523 120.808 120.200 0.143 0.000 2.150 277 E HA -0.058 4.291 4.350 -0.003 0.000 0.193 277 E C 2.053 178.744 176.600 0.152 0.000 0.985 277 E CA 0.570 57.043 56.400 0.122 0.000 0.814 277 E CB -0.257 29.499 29.700 0.094 0.000 0.752 277 E HN 0.219 nan 8.360 nan 0.000 0.466 278 L N -0.142 121.219 121.223 0.229 0.000 2.156 278 L HA -0.079 4.260 4.340 -0.003 0.000 0.208 278 L C 2.389 179.559 176.870 0.500 0.000 1.095 278 L CA 0.593 55.681 54.840 0.414 0.000 0.770 278 L CB -0.279 42.033 42.059 0.422 0.000 0.914 278 L HN 0.205 nan 8.230 nan 0.000 0.439 279 L N -0.465 120.878 121.223 0.199 0.000 2.046 279 L HA -0.231 4.108 4.340 -0.003 0.000 0.208 279 L C 2.866 179.516 176.870 -0.368 0.000 1.077 279 L CA 1.250 55.935 54.840 -0.260 0.000 0.747 279 L CB -0.422 41.320 42.059 -0.527 0.000 0.896 279 L HN 0.254 nan 8.230 nan 0.000 0.432 280 R N -0.483 119.766 120.500 -0.418 0.000 2.081 280 R HA -0.229 4.109 4.340 -0.003 0.000 0.235 280 R C 2.325 178.541 176.300 -0.140 0.000 1.131 280 R CA 1.863 57.764 56.100 -0.331 0.000 0.960 280 R CB -0.318 29.873 30.300 -0.182 0.000 0.856 280 R HN 0.217 nan 8.270 nan 0.000 0.436 281 F N -0.802 119.054 119.950 -0.156 0.000 2.234 281 F HA -0.057 4.468 4.527 -0.003 0.000 0.296 281 F C 0.846 176.497 175.800 -0.249 0.000 1.089 281 F CA 1.018 58.872 58.000 -0.244 0.000 1.343 281 F CB 0.313 39.147 39.000 -0.277 0.000 1.040 281 F HN 0.022 nan 8.300 nan 0.000 0.498 282 Y N -0.038 120.519 120.300 0.428 0.000 2.584 282 Y HA 0.352 4.901 4.550 -0.002 0.000 0.254 282 Y C 1.240 177.389 175.900 0.415 0.000 1.177 282 Y CA -0.598 57.806 58.100 0.507 0.000 1.216 282 Y CB -0.406 38.385 38.460 0.552 0.000 1.172 282 Y HN -0.112 nan 8.280 nan 0.000 0.529 283 G N 2.241 111.200 108.800 0.264 0.000 2.115 283 G HA2 -0.032 3.927 3.960 -0.003 0.000 0.244 283 G HA3 -0.032 3.927 3.960 -0.003 0.000 0.244 283 G C -1.777 173.238 174.900 0.192 0.000 1.105 283 G CA -0.554 44.598 45.100 0.087 0.000 0.893 283 G HN 0.200 nan 8.290 nan 0.000 0.443 284 P HA 0.115 nan 4.420 nan 0.000 0.219 284 P C 1.241 178.587 177.300 0.077 0.000 1.154 284 P CA 1.113 64.281 63.100 0.112 0.000 0.826 284 P CB 0.316 32.051 31.700 0.060 0.000 0.795 285 A N -0.148 122.713 122.820 0.068 0.000 2.296 285 A HA 0.606 4.924 4.320 -0.003 0.000 0.264 285 A C 0.088 177.710 177.584 0.063 0.000 1.097 285 A CA 0.363 52.439 52.037 0.064 0.000 0.811 285 A CB -0.088 18.974 19.000 0.102 0.000 1.072 285 A HN -0.037 nan 8.150 nan 0.000 0.495 286 M N -0.038 119.520 119.600 -0.070 0.000 2.520 286 M HA 0.475 4.954 4.480 -0.003 0.000 0.280 286 M C -1.244 174.866 176.300 -0.318 0.000 1.232 286 M CA -0.608 54.490 55.300 -0.336 0.000 0.892 286 M CB 2.408 34.667 32.600 -0.568 0.000 1.728 286 M HN 0.839 nan 8.290 nan 0.000 0.475 287 V N -1.338 118.298 119.914 -0.464 0.000 3.114 287 V HA 1.077 5.195 4.120 -0.003 0.000 0.308 287 V C -0.475 175.433 176.094 -0.311 0.000 1.168 287 V CA -0.548 61.568 62.300 -0.307 0.000 1.015 287 V CB 1.646 33.365 31.823 -0.174 0.000 1.050 287 V HN 0.955 nan 8.190 nan 0.000 0.433 288 G N 1.333 109.997 108.800 -0.226 0.000 2.509 288 G HA2 0.819 4.777 3.960 -0.003 0.000 0.328 288 G HA3 0.819 4.777 3.960 -0.003 0.000 0.328 288 G C -1.072 173.737 174.900 -0.153 0.000 1.194 288 G CA -0.993 43.997 45.100 -0.183 0.000 0.967 288 G HN 0.698 nan 8.290 nan 0.000 0.488 289 R N -0.441 119.997 120.500 -0.104 0.000 2.604 289 R HA 0.323 4.662 4.340 -0.003 0.000 0.281 289 R C -1.608 174.725 176.300 0.054 0.000 1.020 289 R CA -0.923 55.173 56.100 -0.006 0.000 0.899 289 R CB 1.866 32.196 30.300 0.050 0.000 1.205 289 R HN 0.448 nan 8.270 nan 0.000 0.450 290 L N 2.981 124.235 121.223 0.051 0.000 2.276 290 L HA 0.344 4.682 4.340 -0.003 0.000 0.286 290 L C -0.552 176.349 176.870 0.051 0.000 1.061 290 L CA -0.371 54.487 54.840 0.030 0.000 0.807 290 L CB 1.408 43.468 42.059 0.001 0.000 1.177 290 L HN 0.336 nan 8.230 nan 0.000 0.429 291 V N 4.891 124.817 119.914 0.020 0.000 2.555 291 V HA 0.233 4.351 4.120 -0.003 0.000 0.286 291 V C 1.230 177.251 176.094 -0.122 0.000 1.044 291 V CA 0.605 62.818 62.300 -0.145 0.000 1.026 291 V CB 0.797 32.563 31.823 -0.094 0.000 0.981 291 V HN 0.997 nan 8.190 nan 0.000 0.480 292 T N 0.827 115.271 114.554 -0.184 0.000 3.004 292 T HA 0.309 4.657 4.350 -0.003 0.000 0.266 292 T C 0.311 174.940 174.700 -0.119 0.000 0.986 292 T CA -0.077 61.957 62.100 -0.109 0.000 0.902 292 T CB 0.307 69.129 68.868 -0.076 0.000 1.118 292 T HN 0.559 nan 8.240 nan 0.000 0.522 293 Q N 0.945 120.634 119.800 -0.186 0.000 2.340 293 Q HA 0.333 4.672 4.340 -0.003 0.000 0.276 293 Q C -1.431 174.464 176.000 -0.176 0.000 1.048 293 Q CA -0.633 55.078 55.803 -0.152 0.000 0.832 293 Q CB 3.038 31.689 28.738 -0.145 0.000 1.373 293 Q HN 0.493 nan 8.270 nan 0.000 0.409 294 E N 1.682 121.816 120.200 -0.111 0.000 2.465 294 E HA 0.208 4.557 4.350 -0.003 0.000 0.260 294 E C -1.433 175.095 176.600 -0.122 0.000 0.980 294 E CA 0.039 56.382 56.400 -0.096 0.000 0.927 294 E CB 0.797 30.462 29.700 -0.058 0.000 0.934 294 E HN 0.318 nan 8.360 nan 0.000 0.459 295 V N 3.744 123.576 119.914 -0.135 0.000 2.969 295 V HA 0.342 4.460 4.120 -0.003 0.000 0.304 295 V C -1.183 174.851 176.094 -0.099 0.000 1.192 295 V CA -0.465 61.762 62.300 -0.122 0.000 0.962 295 V CB 2.693 34.402 31.823 -0.190 0.000 1.045 295 V HN 0.778 nan 8.190 nan 0.000 0.428 296 T N 5.614 120.125 114.554 -0.072 0.000 2.756 296 T HA 0.627 4.976 4.350 -0.003 0.000 0.290 296 T C -0.704 173.956 174.700 -0.067 0.000 0.985 296 T CA -0.257 61.790 62.100 -0.087 0.000 0.955 296 T CB 1.165 69.989 68.868 -0.072 0.000 0.930 296 T HN 0.628 nan 8.240 nan 0.000 0.451 297 V N 3.676 123.528 119.914 -0.104 0.000 2.407 297 V HA 0.728 4.847 4.120 -0.003 0.000 0.291 297 V C 1.042 177.063 176.094 -0.121 0.000 1.018 297 V CA 0.035 62.286 62.300 -0.083 0.000 0.842 297 V CB 0.530 32.308 31.823 -0.074 0.000 0.996 297 V HN 1.188 nan 8.190 nan 0.000 0.426 298 G N 4.232 112.982 108.800 -0.084 0.000 2.565 298 G HA2 -0.328 3.630 3.960 -0.003 0.000 0.295 298 G HA3 -0.328 3.630 3.960 -0.003 0.000 0.295 298 G C 0.688 175.535 174.900 -0.088 0.000 1.165 298 G CA 0.682 45.734 45.100 -0.081 0.000 0.977 298 G HN 0.823 nan 8.290 nan 0.000 0.546 299 D N 0.324 120.662 120.400 -0.103 0.000 2.369 299 D HA 0.294 4.933 4.640 -0.003 0.000 0.211 299 D C 0.192 176.418 176.300 -0.124 0.000 1.077 299 D CA -0.027 53.918 54.000 -0.092 0.000 0.842 299 D CB 0.103 40.862 40.800 -0.069 0.000 0.947 299 D HN 0.208 nan 8.370 nan 0.000 0.509 300 I N 0.640 121.089 120.570 -0.202 0.000 2.603 300 I HA 0.218 4.386 4.170 -0.003 0.000 0.300 300 I C -0.165 175.755 176.117 -0.328 0.000 1.017 300 I CA -0.413 60.697 61.300 -0.318 0.000 1.098 300 I CB 2.229 39.861 38.000 -0.615 0.000 1.279 300 I HN -0.283 nan 8.210 nan 0.000 0.437 301 T N 6.931 121.326 114.554 -0.265 0.000 2.770 301 T HA 0.580 4.929 4.350 -0.003 0.000 0.283 301 T C -0.144 174.471 174.700 -0.142 0.000 0.988 301 T CA -0.542 61.453 62.100 -0.175 0.000 0.957 301 T CB 0.643 69.466 68.868 -0.075 0.000 0.930 301 T HN 0.318 nan 8.240 nan 0.000 0.443 302 M N 2.991 122.493 119.600 -0.165 0.000 2.478 302 M HA 0.510 4.989 4.480 -0.003 0.000 0.327 302 M C 0.033 176.363 176.300 0.051 0.000 1.187 302 M CA -0.759 54.549 55.300 0.013 0.000 1.022 302 M CB 1.564 34.104 32.600 -0.099 0.000 1.629 302 M HN 0.293 nan 8.290 nan 0.000 0.461 303 K N 1.397 121.888 120.400 0.151 0.000 2.267 303 K HA 0.576 4.895 4.320 -0.003 0.000 0.246 303 K C -2.698 173.932 176.600 0.051 0.000 0.954 303 K CA -1.947 54.380 56.287 0.067 0.000 0.824 303 K CB 1.297 33.843 32.500 0.076 0.000 1.167 303 K HN 0.232 nan 8.250 nan 0.000 0.431 304 P HA -0.096 nan 4.420 nan 0.000 0.264 304 P C 0.575 177.894 177.300 0.030 0.000 1.183 304 P CA 1.244 64.340 63.100 -0.008 0.000 0.763 304 P CB 0.407 32.095 31.700 -0.020 0.000 0.807 305 G N 1.575 110.394 108.800 0.031 0.000 2.258 305 G HA2 -0.220 3.739 3.960 -0.003 0.000 0.233 305 G HA3 -0.220 3.739 3.960 -0.003 0.000 0.233 305 G C 0.158 175.107 174.900 0.082 0.000 1.006 305 G CA -0.351 44.780 45.100 0.052 0.000 0.620 305 G HN 0.560 nan 8.290 nan 0.000 0.511 306 Q N 0.545 120.421 119.800 0.127 0.000 2.317 306 Q HA 0.601 4.940 4.340 -0.003 0.000 0.229 306 Q C -0.323 175.745 176.000 0.115 0.000 0.984 306 Q CA 0.333 56.249 55.803 0.188 0.000 0.911 306 Q CB 1.025 29.992 28.738 0.382 0.000 1.217 306 Q HN 0.211 nan 8.270 nan 0.000 0.501 307 T N 0.475 115.036 114.554 0.012 0.000 2.885 307 T HA 0.647 4.995 4.350 -0.003 0.000 0.285 307 T C -1.224 173.482 174.700 0.012 0.000 1.019 307 T CA -0.636 61.361 62.100 -0.172 0.000 1.010 307 T CB 1.474 69.839 68.868 -0.838 0.000 1.022 307 T HN 0.625 nan 8.240 nan 0.000 0.466 308 A N 3.627 126.485 122.820 0.063 0.000 2.343 308 A HA 0.770 5.089 4.320 -0.003 0.000 0.316 308 A C -0.505 177.105 177.584 0.043 0.000 1.104 308 A CA -0.761 51.383 52.037 0.179 0.000 0.768 308 A CB 0.804 19.931 19.000 0.212 0.000 1.213 308 A HN 0.653 nan 8.150 nan 0.000 0.456 309 M N 2.935 122.635 119.600 0.167 0.000 2.157 309 M HA 0.331 4.809 4.480 -0.003 0.000 0.354 309 M C -0.729 175.641 176.300 0.118 0.000 1.170 309 M CA -0.384 54.989 55.300 0.121 0.000 1.060 309 M CB 0.742 33.562 32.600 0.367 0.000 1.615 309 M HN 0.567 nan 8.290 nan 0.000 0.460 310 L N 3.543 124.661 121.223 -0.175 0.000 2.282 310 L HA 0.177 4.515 4.340 -0.003 0.000 0.287 310 L C -0.637 175.971 176.870 -0.437 0.000 1.075 310 L CA -0.401 54.232 54.840 -0.345 0.000 0.839 310 L CB 0.148 41.806 42.059 -0.668 0.000 1.219 310 L HN 0.635 nan 8.230 nan 0.000 0.434 311 W N 3.905 124.998 121.300 -0.346 0.000 1.606 311 W HA 0.233 4.891 4.660 -0.002 0.000 0.455 311 W C 1.073 177.473 176.519 -0.199 0.000 0.711 311 W CA -0.599 56.581 57.345 -0.275 0.000 1.876 311 W CB -0.717 28.638 29.460 -0.175 0.000 1.776 311 W HN 0.465 nan 8.180 nan 0.000 0.229 312 F N 2.174 122.105 119.950 -0.032 0.000 2.115 312 F HA -0.257 4.268 4.527 -0.003 0.000 0.300 312 F C 0.020 175.772 175.800 -0.080 0.000 1.092 312 F CA 0.836 58.810 58.000 -0.043 0.000 1.245 312 F CB -1.684 37.283 39.000 -0.054 0.000 0.995 312 F HN 0.071 nan 8.300 nan 0.000 0.481 313 P HA -0.194 nan 4.420 nan 0.000 0.218 313 P C 1.529 178.695 177.300 -0.223 0.000 1.148 313 P CA 1.315 64.309 63.100 -0.176 0.000 0.822 313 P CB -0.068 31.381 31.700 -0.418 0.000 0.784 314 I N -0.821 119.647 120.570 -0.171 0.000 2.333 314 I HA -0.060 4.108 4.170 -0.003 0.000 0.246 314 I C 2.221 178.353 176.117 0.025 0.000 1.106 314 I CA 1.211 62.446 61.300 -0.108 0.000 1.411 314 I CB -1.969 35.982 38.000 -0.080 0.000 1.082 314 I HN -0.099 nan 8.210 nan 0.000 0.420 315 A N 0.586 123.480 122.820 0.124 0.000 1.972 315 A HA -0.141 4.178 4.320 -0.003 0.000 0.219 315 A C 2.427 180.224 177.584 0.354 0.000 1.169 315 A CA 1.782 53.983 52.037 0.272 0.000 0.635 315 A CB -0.721 18.455 19.000 0.293 0.000 0.810 315 A HN 0.406 nan 8.150 nan 0.000 0.446 316 S N -0.840 114.955 115.700 0.158 0.000 2.555 316 S HA 0.001 4.470 4.470 -0.003 0.000 0.230 316 S C 1.430 175.841 174.600 -0.315 0.000 0.978 316 S CA 0.690 58.842 58.200 -0.081 0.000 0.934 316 S CB -0.145 62.964 63.200 -0.151 0.000 0.766 316 S HN 0.601 nan 8.310 nan 0.000 0.533 317 R N 0.749 121.194 120.500 -0.091 0.000 2.543 317 R HA 0.173 4.512 4.340 -0.003 0.000 0.323 317 R C -0.491 175.852 176.300 0.071 0.000 1.002 317 R CA -0.193 55.866 56.100 -0.069 0.000 1.106 317 R CB 0.347 30.579 30.300 -0.114 0.000 1.280 317 R HN 0.140 nan 8.270 nan 0.000 0.549 318 D N 1.500 122.010 120.400 0.184 0.000 2.382 318 D HA -0.001 4.638 4.640 -0.003 0.000 0.259 318 D C 0.763 177.152 176.300 0.148 0.000 1.224 318 D CA 0.257 54.357 54.000 0.166 0.000 0.894 318 D CB 0.817 41.737 40.800 0.200 0.000 1.127 318 D HN 0.091 nan 8.370 nan 0.000 0.487 319 R N 1.661 122.211 120.500 0.084 0.000 2.193 319 R HA -0.111 4.227 4.340 -0.003 0.000 0.229 319 R C 1.994 178.298 176.300 0.007 0.000 1.110 319 R CA 1.175 57.311 56.100 0.060 0.000 0.988 319 R CB -0.033 30.293 30.300 0.043 0.000 0.871 319 R HN 0.433 nan 8.270 nan 0.000 0.458 320 S N -0.570 115.118 115.700 -0.020 0.000 2.527 320 S HA 0.106 4.574 4.470 -0.003 0.000 0.222 320 S C 1.687 176.167 174.600 -0.201 0.000 0.985 320 S CA 0.519 58.674 58.200 -0.075 0.000 0.921 320 S CB 0.597 63.772 63.200 -0.042 0.000 0.772 320 S HN 0.306 nan 8.310 nan 0.000 0.529 321 A N -0.095 122.539 122.820 -0.311 0.000 2.192 321 A HA 0.634 4.952 4.320 -0.003 0.000 0.208 321 A C 0.031 177.017 177.584 -0.997 0.000 1.220 321 A CA -0.163 51.401 52.037 -0.788 0.000 0.900 321 A CB 0.272 18.446 19.000 -1.377 0.000 0.937 321 A HN 0.462 nan 8.150 nan 0.000 0.487 322 F N 0.851 120.700 119.950 -0.170 0.000 2.557 322 F HA 0.395 4.921 4.527 -0.002 0.000 0.316 322 F C -1.093 174.681 175.800 -0.043 0.000 1.141 322 F CA -1.344 56.602 58.000 -0.089 0.000 0.922 322 F CB 1.469 40.438 39.000 -0.051 0.000 1.194 322 F HN -0.103 nan 8.300 nan 0.000 0.443 323 D N 1.415 121.885 120.400 0.115 0.000 2.382 323 D HA 0.164 4.802 4.640 -0.003 0.000 0.245 323 D C 0.228 176.593 176.300 0.108 0.000 1.120 323 D CA 0.347 54.395 54.000 0.079 0.000 0.890 323 D CB 1.095 41.922 40.800 0.044 0.000 1.201 323 D HN 0.595 nan 8.370 nan 0.000 0.433 324 S N 1.834 117.585 115.700 0.084 0.000 3.524 324 S HA -0.120 4.348 4.470 -0.003 0.000 0.377 324 S C -1.402 173.263 174.600 0.108 0.000 0.949 324 S CA 0.078 58.327 58.200 0.083 0.000 1.264 324 S CB -0.662 62.576 63.200 0.064 0.000 0.918 324 S HN 0.551 nan 8.310 nan 0.000 0.517 325 P HA -0.084 nan 4.420 nan 0.000 0.222 325 P C 0.585 177.979 177.300 0.157 0.000 1.147 325 P CA 0.966 64.136 63.100 0.117 0.000 0.790 325 P CB 0.092 31.854 31.700 0.103 0.000 0.780 326 D N -0.930 119.571 120.400 0.167 0.000 2.340 326 D HA 0.069 4.707 4.640 -0.003 0.000 0.220 326 D C 0.464 176.919 176.300 0.258 0.000 1.039 326 D CA 0.320 54.480 54.000 0.266 0.000 0.866 326 D CB -0.074 40.832 40.800 0.175 0.000 0.913 326 D HN 0.273 nan 8.370 nan 0.000 0.523 327 N N 0.608 119.383 118.700 0.124 0.000 2.370 327 N HA 0.316 5.054 4.740 -0.003 0.000 0.303 327 N C -0.227 175.199 175.510 -0.140 0.000 1.103 327 N CA -0.509 52.529 53.050 -0.021 0.000 0.848 327 N CB 2.443 40.937 38.487 0.011 0.000 1.235 327 N HN -0.091 nan 8.380 nan 0.000 0.496 328 I N 2.251 122.642 120.570 -0.299 0.000 2.278 328 I HA 0.078 4.246 4.170 -0.003 0.000 0.296 328 I C -0.127 175.925 176.117 -0.108 0.000 1.121 328 I CA -0.378 60.752 61.300 -0.283 0.000 1.267 328 I CB 0.473 38.245 38.000 -0.380 0.000 1.447 328 I HN 0.060 nan 8.210 nan 0.000 0.509 329 V N 7.642 127.532 119.914 -0.040 0.000 2.304 329 V HA 0.094 4.213 4.120 -0.003 0.000 0.262 329 V C 1.397 177.498 176.094 0.012 0.000 1.061 329 V CA -0.329 61.969 62.300 -0.004 0.000 0.872 329 V CB 0.668 32.506 31.823 0.025 0.000 1.077 329 V HN 0.693 nan 8.190 nan 0.000 0.480 330 I N 1.876 122.448 120.570 0.002 0.000 2.567 330 I HA -0.112 4.057 4.170 -0.003 0.000 0.257 330 I C 1.842 177.974 176.117 0.026 0.000 1.184 330 I CA 1.496 62.808 61.300 0.020 0.000 1.451 330 I CB -0.098 37.912 38.000 0.016 0.000 1.089 330 I HN 0.669 nan 8.210 nan 0.000 0.441 331 E N 2.673 122.881 120.200 0.012 0.000 2.465 331 E HA -0.022 4.327 4.350 -0.003 0.000 0.191 331 E C 0.709 177.327 176.600 0.030 0.000 1.053 331 E CA -0.393 56.013 56.400 0.009 0.000 0.869 331 E CB -0.269 29.421 29.700 -0.017 0.000 0.977 331 E HN 0.557 nan 8.360 nan 0.000 0.483 332 R N 1.175 121.706 120.500 0.050 0.000 2.502 332 R HA 0.093 4.431 4.340 -0.003 0.000 0.292 332 R C -0.906 175.441 176.300 0.080 0.000 0.998 332 R CA 0.890 57.034 56.100 0.074 0.000 1.056 332 R CB 0.282 30.648 30.300 0.110 0.000 0.939 332 R HN 0.058 nan 8.270 nan 0.000 0.411 333 T N 5.868 120.461 114.554 0.065 0.000 3.709 333 T HA 0.261 4.610 4.350 -0.003 0.000 0.378 333 T C -2.437 172.284 174.700 0.035 0.000 1.352 333 T CA -1.188 60.947 62.100 0.057 0.000 1.144 333 T CB 0.860 69.757 68.868 0.047 0.000 1.289 333 T HN 0.678 nan 8.240 nan 0.000 0.476 334 P HA 0.440 nan 4.420 nan 0.000 0.273 334 P C -1.035 176.314 177.300 0.080 0.000 1.250 334 P CA -0.490 62.635 63.100 0.040 0.000 0.793 334 P CB 0.552 32.259 31.700 0.012 0.000 1.011 335 N N 0.750 119.517 118.700 0.113 0.000 2.690 335 N HA 0.113 4.852 4.740 -0.003 0.000 0.255 335 N C -0.587 175.040 175.510 0.195 0.000 1.195 335 N CA -0.314 52.879 53.050 0.238 0.000 0.790 335 N CB 0.495 39.137 38.487 0.259 0.000 1.216 335 N HN 0.253 nan 8.380 nan 0.000 0.528 336 R N 2.049 122.662 120.500 0.188 0.000 4.394 336 R HA 0.102 4.441 4.340 -0.003 0.000 0.257 336 R C 0.061 176.565 176.300 0.339 0.000 1.727 336 R CA -0.504 55.663 56.100 0.112 0.000 1.497 336 R CB -0.647 29.675 30.300 0.036 0.000 1.406 336 R HN 0.594 nan 8.270 nan 0.000 0.745 337 H N -1.866 117.449 119.070 0.408 0.000 2.745 337 H HA 0.066 4.620 4.556 -0.002 0.000 0.373 337 H C 0.636 176.031 175.328 0.111 0.000 1.226 337 H CA -0.430 55.809 56.048 0.319 0.000 1.435 337 H CB 0.712 30.504 29.762 0.050 0.000 1.461 337 H HN 0.098 nan 8.280 nan 0.000 0.616 338 L N 1.180 122.515 121.223 0.186 0.000 2.769 338 L HA 0.164 4.502 4.340 -0.003 0.000 0.240 338 L C 1.456 178.019 176.870 -0.511 0.000 1.163 338 L CA 0.002 54.702 54.840 -0.235 0.000 0.962 338 L CB 0.090 41.951 42.059 -0.329 0.000 1.258 338 L HN 0.654 nan 8.230 nan 0.000 0.513 339 S N 0.552 116.239 115.700 -0.021 0.000 2.440 339 S HA -0.034 4.435 4.470 -0.003 0.000 0.238 339 S C 1.485 175.958 174.600 -0.210 0.000 1.010 339 S CA 1.092 59.187 58.200 -0.175 0.000 0.972 339 S CB -0.031 63.018 63.200 -0.251 0.000 0.774 339 S HN 0.411 nan 8.310 nan 0.000 0.501 340 L N 0.730 121.872 121.223 -0.134 0.000 2.965 340 L HA 0.345 4.683 4.340 -0.003 0.000 0.254 340 L C 1.052 177.815 176.870 -0.179 0.000 1.220 340 L CA -0.243 54.523 54.840 -0.123 0.000 1.023 340 L CB -0.252 41.791 42.059 -0.027 0.000 1.355 340 L HN 0.398 nan 8.230 nan 0.000 0.545 341 G N 0.351 108.908 108.800 -0.406 0.000 2.681 341 G HA2 -0.261 3.698 3.960 -0.003 0.000 0.220 341 G HA3 -0.261 3.698 3.960 -0.003 0.000 0.220 341 G C -0.922 173.920 174.900 -0.097 0.000 1.353 341 G CA -0.329 44.596 45.100 -0.292 0.000 0.872 341 G HN 0.469 nan 8.290 nan 0.000 0.557 342 H N -1.049 117.954 119.070 -0.111 0.000 3.121 342 H HA 0.672 5.226 4.556 -0.003 0.000 0.337 342 H C 0.508 175.816 175.328 -0.034 0.000 1.198 342 H CA 1.893 57.890 56.048 -0.085 0.000 1.274 342 H CB 1.135 30.830 29.762 -0.112 0.000 1.954 342 H HN 2.669 nan 8.280 nan 0.000 0.531 343 G N 2.391 110.884 108.800 -0.511 0.000 2.508 343 G HA2 -0.238 3.721 3.960 -0.003 0.000 0.220 343 G HA3 -0.238 3.721 3.960 -0.003 0.000 0.220 343 G C 1.241 176.041 174.900 -0.168 0.000 1.287 343 G CA 0.127 45.034 45.100 -0.322 0.000 0.916 343 G HN 1.284 nan 8.290 nan 0.000 0.574 344 I N -2.444 118.035 120.570 -0.151 0.000 2.567 344 I HA 0.037 4.206 4.170 -0.003 0.000 0.257 344 I C 1.655 177.640 176.117 -0.220 0.000 1.184 344 I CA 2.031 63.226 61.300 -0.176 0.000 1.451 344 I CB -0.285 37.556 38.000 -0.264 0.000 1.089 344 I HN 0.463 nan 8.210 nan 0.000 0.441 345 H N 1.609 120.636 119.070 -0.071 0.000 2.520 345 H HA 0.302 4.856 4.556 -0.003 0.000 0.284 345 H C 0.340 175.663 175.328 -0.009 0.000 1.037 345 H CA -0.332 55.695 56.048 -0.034 0.000 1.168 345 H CB -0.013 29.688 29.762 -0.102 0.000 1.497 345 H HN 0.301 nan 8.280 nan 0.000 0.547 346 R N 1.277 121.808 120.500 0.051 0.000 2.537 346 R HA -0.080 4.258 4.340 -0.003 0.000 0.281 346 R C -0.033 176.272 176.300 0.009 0.000 0.988 346 R CA 0.106 56.210 56.100 0.008 0.000 1.077 346 R CB 0.098 30.379 30.300 -0.033 0.000 0.932 346 R HN 0.274 nan 8.270 nan 0.000 0.409 347 C N 6.295 125.586 119.300 -0.014 0.000 1.912 347 C HA -0.115 4.344 4.460 -0.003 0.000 0.414 347 C C 2.370 177.325 174.990 -0.059 0.000 1.545 347 C CA -0.088 58.907 59.018 -0.038 0.000 1.468 347 C CB -1.365 26.346 27.740 -0.049 0.000 2.697 347 C HN 0.853 nan 8.230 nan 0.000 0.597 348 L N 5.368 126.515 121.223 -0.126 0.000 2.141 348 L HA 0.035 4.373 4.340 -0.003 0.000 0.209 348 L C 2.140 178.834 176.870 -0.294 0.000 1.094 348 L CA 2.114 56.809 54.840 -0.241 0.000 0.763 348 L CB -0.580 41.220 42.059 -0.432 0.000 0.908 348 L HN 0.985 nan 8.230 nan 0.000 0.437 349 G N -1.882 106.775 108.800 -0.238 0.000 3.314 349 G HA2 0.171 4.130 3.960 -0.003 0.000 0.238 349 G HA3 0.171 4.130 3.960 -0.003 0.000 0.238 349 G C 1.457 176.389 174.900 0.053 0.000 1.184 349 G CA 0.495 45.566 45.100 -0.048 0.000 0.806 349 G HN 0.476 nan 8.290 nan 0.000 0.536 350 A N 0.500 123.345 122.820 0.042 0.000 1.873 350 A HA -0.221 4.097 4.320 -0.003 0.000 0.218 350 A C 2.051 179.697 177.584 0.103 0.000 1.193 350 A CA 1.833 53.904 52.037 0.055 0.000 0.629 350 A CB -0.832 18.201 19.000 0.054 0.000 0.826 350 A HN 0.503 nan 8.150 nan 0.000 0.447 351 H N -0.992 118.131 119.070 0.088 0.000 2.395 351 H HA -0.065 4.490 4.556 -0.002 0.000 0.299 351 H C 2.051 177.446 175.328 0.111 0.000 1.070 351 H CA 1.656 57.764 56.048 0.099 0.000 1.356 351 H CB -0.062 29.767 29.762 0.110 0.000 1.401 351 H HN 0.358 nan 8.280 nan 0.000 0.524 352 L N 1.725 123.045 121.223 0.162 0.000 2.017 352 L HA -0.166 4.173 4.340 -0.003 0.000 0.208 352 L C 2.576 179.445 176.870 -0.002 0.000 1.073 352 L CA 1.795 56.690 54.840 0.092 0.000 0.745 352 L CB -0.787 41.364 42.059 0.153 0.000 0.894 352 L HN 0.428 nan 8.230 nan 0.000 0.432 353 I N -2.498 118.076 120.570 0.007 0.000 2.546 353 I HA -0.148 4.020 4.170 -0.003 0.000 0.255 353 I C 2.405 178.517 176.117 -0.008 0.000 1.163 353 I CA 1.202 62.500 61.300 -0.004 0.000 1.457 353 I CB -0.532 37.455 38.000 -0.022 0.000 1.092 353 I HN 0.106 nan 8.210 nan 0.000 0.434 354 R N 0.874 121.342 120.500 -0.053 0.000 2.075 354 R HA -0.032 4.306 4.340 -0.003 0.000 0.232 354 R C 2.346 178.605 176.300 -0.068 0.000 1.126 354 R CA 1.638 57.706 56.100 -0.052 0.000 0.963 354 R CB -0.598 29.646 30.300 -0.093 0.000 0.858 354 R HN 0.339 nan 8.270 nan 0.000 0.435 355 V N 1.159 120.982 119.914 -0.151 0.000 2.295 355 V HA -0.252 3.867 4.120 -0.003 0.000 0.246 355 V C 2.306 178.399 176.094 -0.001 0.000 1.049 355 V CA 1.978 64.229 62.300 -0.082 0.000 1.024 355 V CB -0.481 31.299 31.823 -0.072 0.000 0.648 355 V HN 0.394 nan 8.190 nan 0.000 0.447 356 E N 0.260 120.461 120.200 0.002 0.000 2.058 356 E HA -0.248 4.100 4.350 -0.003 0.000 0.194 356 E C 2.210 178.834 176.600 0.040 0.000 0.997 356 E CA 1.522 57.933 56.400 0.018 0.000 0.801 356 E CB -0.246 29.454 29.700 -0.001 0.000 0.746 356 E HN 0.564 nan 8.360 nan 0.000 0.450 357 A N 1.311 124.172 122.820 0.069 0.000 1.930 357 A HA -0.174 4.144 4.320 -0.003 0.000 0.217 357 A C 2.195 179.834 177.584 0.090 0.000 1.175 357 A CA 1.452 53.550 52.037 0.101 0.000 0.627 357 A CB -0.537 18.599 19.000 0.227 0.000 0.815 357 A HN 0.230 nan 8.150 nan 0.000 0.443 358 R N -0.276 120.269 120.500 0.076 0.000 2.073 358 R HA -0.108 4.230 4.340 -0.003 0.000 0.234 358 R C 1.946 178.288 176.300 0.069 0.000 1.134 358 R CA 1.937 58.080 56.100 0.071 0.000 0.952 358 R CB -0.431 29.900 30.300 0.052 0.000 0.850 358 R HN 0.302 nan 8.270 nan 0.000 0.433 359 V N 1.144 121.093 119.914 0.059 0.000 2.295 359 V HA -0.221 3.897 4.120 -0.003 0.000 0.246 359 V C 2.550 178.682 176.094 0.063 0.000 1.049 359 V CA 1.909 64.242 62.300 0.055 0.000 1.024 359 V CB -0.839 31.013 31.823 0.048 0.000 0.648 359 V HN 0.558 nan 8.190 nan 0.000 0.447 360 A N 0.078 122.943 122.820 0.075 0.000 1.865 360 A HA -0.216 4.103 4.320 -0.003 0.000 0.217 360 A C 2.190 179.886 177.584 0.186 0.000 1.191 360 A CA 2.230 54.334 52.037 0.111 0.000 0.623 360 A CB -0.607 18.468 19.000 0.126 0.000 0.826 360 A HN 0.508 nan 8.150 nan 0.000 0.444 361 I N -0.718 119.976 120.570 0.206 0.000 2.179 361 I HA -0.224 3.945 4.170 -0.003 0.000 0.242 361 I C 2.652 178.858 176.117 0.148 0.000 1.088 361 I CA 1.756 63.203 61.300 0.245 0.000 1.357 361 I CB -0.790 37.319 38.000 0.182 0.000 1.051 361 I HN 0.268 nan 8.210 nan 0.000 0.409 362 T N 0.396 115.007 114.554 0.095 0.000 2.652 362 T HA -0.174 4.175 4.350 -0.003 0.000 0.267 362 T C 1.802 176.519 174.700 0.029 0.000 1.039 362 T CA 1.410 63.541 62.100 0.052 0.000 1.153 362 T CB -0.207 68.688 68.868 0.045 0.000 0.863 362 T HN 0.310 nan 8.240 nan 0.000 0.428 363 E N 0.532 120.754 120.200 0.036 0.000 2.107 363 E HA -0.013 4.335 4.350 -0.003 0.000 0.191 363 E C 1.905 178.506 176.600 0.001 0.000 0.982 363 E CA 0.533 56.938 56.400 0.009 0.000 0.809 363 E CB -0.488 29.215 29.700 0.004 0.000 0.756 363 E HN 0.467 nan 8.360 nan 0.000 0.459 364 F N 1.715 121.542 119.950 -0.204 0.000 2.102 364 F HA -0.105 4.420 4.527 -0.004 0.000 0.298 364 F C 2.029 177.649 175.800 -0.300 0.000 1.105 364 F CA 1.123 58.902 58.000 -0.370 0.000 1.239 364 F CB -0.438 38.237 39.000 -0.542 0.000 0.991 364 F HN -0.095 nan 8.300 nan 0.000 0.474 365 L N -0.116 120.946 121.223 -0.268 0.000 2.217 365 L HA -0.144 4.194 4.340 -0.003 0.000 0.211 365 L C 2.491 179.248 176.870 -0.189 0.000 1.107 365 L CA 1.120 55.784 54.840 -0.293 0.000 0.783 365 L CB -0.672 41.314 42.059 -0.122 0.000 0.919 365 L HN 0.126 nan 8.230 nan 0.000 0.442 366 K N 0.061 120.388 120.400 -0.123 0.000 2.062 366 K HA -0.107 4.211 4.320 -0.003 0.000 0.205 366 K C 2.320 178.860 176.600 -0.100 0.000 1.051 366 K CA 0.883 57.119 56.287 -0.084 0.000 0.941 366 K CB 0.213 32.684 32.500 -0.047 0.000 0.719 366 K HN 0.129 nan 8.250 nan 0.000 0.440 367 R N 0.044 120.467 120.500 -0.128 0.000 2.127 367 R HA 0.123 4.462 4.340 -0.003 0.000 0.217 367 R C 0.696 176.885 176.300 -0.186 0.000 1.074 367 R CA 0.748 56.773 56.100 -0.124 0.000 0.991 367 R CB 0.215 30.456 30.300 -0.099 0.000 0.895 367 R HN 0.220 nan 8.270 nan 0.000 0.450 368 I N 2.622 122.994 120.570 -0.330 0.000 2.782 368 I HA 0.153 4.322 4.170 -0.003 0.000 0.279 368 I C -1.792 174.138 176.117 -0.312 0.000 1.247 368 I CA -1.389 59.675 61.300 -0.394 0.000 1.062 368 I CB 2.226 39.796 38.000 -0.717 0.000 1.421 368 I HN -0.172 nan 8.210 nan 0.000 0.558 369 P HA -0.068 nan 4.420 nan 0.000 0.225 369 P C -0.146 177.181 177.300 0.045 0.000 1.156 369 P CA 1.107 64.177 63.100 -0.049 0.000 0.787 369 P CB 0.267 31.935 31.700 -0.053 0.000 0.802 370 E N 0.950 121.213 120.200 0.105 0.000 2.185 370 E HA 0.590 4.938 4.350 -0.003 0.000 0.261 370 E C -0.317 176.475 176.600 0.319 0.000 0.879 370 E CA -0.776 55.696 56.400 0.121 0.000 0.756 370 E CB 0.968 30.712 29.700 0.074 0.000 1.152 370 E HN 0.175 nan 8.360 nan 0.000 0.416 371 F N -0.247 119.704 119.950 0.002 0.000 2.773 371 F HA 0.792 5.317 4.527 -0.004 0.000 0.314 371 F C -1.033 174.817 175.800 0.085 0.000 1.160 371 F CA -0.950 57.114 58.000 0.106 0.000 0.920 371 F CB 1.236 40.314 39.000 0.130 0.000 1.323 371 F HN 0.437 nan 8.300 nan 0.000 0.457 372 S N 0.568 116.394 115.700 0.210 0.000 2.643 372 S HA 0.676 5.144 4.470 -0.003 0.000 0.270 372 S C -1.494 173.235 174.600 0.215 0.000 1.166 372 S CA -1.208 57.035 58.200 0.072 0.000 0.815 372 S CB 1.417 64.639 63.200 0.036 0.000 1.139 372 S HN 0.953 nan 8.310 nan 0.000 0.472 373 L N 1.747 123.074 121.223 0.173 0.000 2.439 373 L HA 0.308 4.646 4.340 -0.003 0.000 0.269 373 L C 0.269 177.241 176.870 0.170 0.000 1.179 373 L CA -0.319 54.652 54.840 0.219 0.000 0.828 373 L CB 0.223 42.409 42.059 0.212 0.000 1.106 373 L HN 0.736 nan 8.230 nan 0.000 0.467 374 D N 4.706 125.210 120.400 0.173 0.000 2.358 374 D HA 0.060 4.698 4.640 -0.003 0.000 0.258 374 D C -1.424 174.930 176.300 0.091 0.000 1.223 374 D CA -1.685 52.384 54.000 0.114 0.000 0.886 374 D CB 1.389 42.251 40.800 0.103 0.000 1.120 374 D HN 0.271 nan 8.370 nan 0.000 0.482 375 P HA -0.042 nan 4.420 nan 0.000 0.233 375 P C 0.105 177.427 177.300 0.037 0.000 1.167 375 P CA 0.682 63.811 63.100 0.048 0.000 0.770 375 P CB 0.351 32.071 31.700 0.033 0.000 0.837 376 N N -0.840 117.879 118.700 0.032 0.000 2.236 376 N HA 0.106 4.844 4.740 -0.003 0.000 0.196 376 N C 0.240 175.763 175.510 0.022 0.000 1.114 376 N CA -0.101 52.961 53.050 0.019 0.000 0.859 376 N CB 0.368 38.858 38.487 0.006 0.000 0.982 376 N HN 0.137 nan 8.380 nan 0.000 0.493 377 K N 0.682 121.106 120.400 0.041 0.000 2.385 377 K HA 0.307 4.625 4.320 -0.003 0.000 0.248 377 K C -0.913 175.727 176.600 0.067 0.000 0.955 377 K CA -0.742 55.570 56.287 0.042 0.000 0.816 377 K CB 2.074 34.602 32.500 0.048 0.000 1.250 377 K HN -0.100 nan 8.250 nan 0.000 0.434 378 E N 1.105 121.337 120.200 0.054 0.000 2.266 378 E HA 0.196 4.545 4.350 -0.003 0.000 0.277 378 E C -0.419 176.250 176.600 0.115 0.000 1.018 378 E CA -0.420 56.024 56.400 0.074 0.000 0.840 378 E CB 1.376 31.101 29.700 0.042 0.000 1.082 378 E HN 0.497 nan 8.360 nan 0.000 0.395 379 C N 1.689 121.081 119.300 0.152 0.000 2.443 379 C HA 0.381 4.839 4.460 -0.003 0.000 0.369 379 C C 0.668 175.739 174.990 0.135 0.000 1.241 379 C CA -0.298 58.831 59.018 0.183 0.000 2.413 379 C CB 0.228 28.101 27.740 0.223 0.000 2.451 379 C HN 0.727 nan 8.230 nan 0.000 0.595 380 E N 1.126 121.414 120.200 0.147 0.000 2.263 380 E HA 0.240 4.588 4.350 -0.003 0.000 0.268 380 E C -1.649 175.016 176.600 0.107 0.000 0.884 380 E CA -0.458 56.026 56.400 0.139 0.000 0.766 380 E CB 1.079 30.903 29.700 0.207 0.000 1.196 380 E HN 0.825 nan 8.360 nan 0.000 0.416 381 W N 7.198 128.436 121.300 -0.104 0.000 2.361 381 W HA 0.377 5.035 4.660 -0.003 0.000 0.309 381 W C -1.564 174.898 176.519 -0.095 0.000 1.122 381 W CA -0.860 56.398 57.345 -0.146 0.000 1.208 381 W CB 1.262 30.602 29.460 -0.200 0.000 1.246 381 W HN 0.444 nan 8.180 nan 0.000 0.490 382 L N 7.789 128.758 121.223 -0.423 0.000 2.265 382 L HA 0.351 4.689 4.340 -0.003 0.000 0.288 382 L C -0.131 176.538 176.870 -0.335 0.000 1.058 382 L CA -0.048 54.609 54.840 -0.306 0.000 0.809 382 L CB 0.846 42.711 42.059 -0.324 0.000 1.179 382 L HN 0.382 nan 8.230 nan 0.000 0.429 383 M N 4.283 123.854 119.600 -0.049 0.000 2.342 383 M HA 0.770 5.248 4.480 -0.003 0.000 0.332 383 M C 0.596 176.800 176.300 -0.160 0.000 1.166 383 M CA -0.057 55.259 55.300 0.026 0.000 1.086 383 M CB 1.592 34.247 32.600 0.091 0.000 1.541 383 M HN 0.804 nan 8.290 nan 0.000 0.462 384 G N 0.441 109.022 108.800 -0.364 0.000 2.350 384 G HA2 -0.047 3.911 3.960 -0.003 0.000 0.276 384 G HA3 -0.047 3.911 3.960 -0.003 0.000 0.276 384 G C -0.517 174.032 174.900 -0.586 0.000 1.313 384 G CA -0.528 43.924 45.100 -1.080 0.000 0.903 384 G HN 0.654 nan 8.290 nan 0.000 0.490 385 Q N -1.199 118.311 119.800 -0.483 0.000 2.297 385 Q HA 0.263 4.601 4.340 -0.003 0.000 0.204 385 Q C 0.367 176.315 176.000 -0.087 0.000 0.962 385 Q CA 1.092 56.838 55.803 -0.096 0.000 0.879 385 Q CB 0.025 28.808 28.738 0.075 0.000 0.947 385 Q HN 0.355 nan 8.270 nan 0.000 0.462 386 V N 1.246 121.106 119.914 -0.089 0.000 2.380 386 V HA 0.593 4.711 4.120 -0.003 0.000 0.286 386 V C -0.860 175.170 176.094 -0.107 0.000 1.015 386 V CA -0.558 61.712 62.300 -0.049 0.000 0.834 386 V CB 1.213 33.033 31.823 -0.006 0.000 1.009 386 V HN 0.193 nan 8.190 nan 0.000 0.428 387 A N 3.761 126.524 122.820 -0.094 0.000 2.342 387 A HA 1.036 5.354 4.320 -0.003 0.000 0.323 387 A C 0.190 177.451 177.584 -0.538 0.000 1.125 387 A CA 0.107 52.007 52.037 -0.228 0.000 0.785 387 A CB 1.709 20.785 19.000 0.127 0.000 1.221 387 A HN 1.281 nan 8.150 nan 0.000 0.463 388 G N 0.810 108.884 108.800 -1.209 0.000 2.441 388 G HA2 0.486 4.445 3.960 -0.003 0.000 0.294 388 G HA3 0.486 4.445 3.960 -0.003 0.000 0.294 388 G C -0.907 173.174 174.900 -1.365 0.000 1.393 388 G CA -0.910 43.349 45.100 -1.402 0.000 0.796 388 G HN 0.518 nan 8.290 nan 0.000 0.494 389 M N 0.614 119.722 119.600 -0.820 0.000 2.239 389 M HA 0.212 4.690 4.480 -0.003 0.000 0.348 389 M C 0.957 177.055 176.300 -0.337 0.000 1.239 389 M CA -0.283 54.767 55.300 -0.417 0.000 1.114 389 M CB 1.148 33.625 32.600 -0.205 0.000 1.641 389 M HN 0.529 nan 8.290 nan 0.000 0.453 390 L N 3.435 124.497 121.223 -0.269 0.000 2.500 390 L HA 0.218 4.557 4.340 -0.003 0.000 0.219 390 L C -0.208 176.357 176.870 -0.508 0.000 1.057 390 L CA 1.165 55.797 54.840 -0.346 0.000 0.854 390 L CB 0.218 42.099 42.059 -0.298 0.000 1.078 390 L HN 0.724 nan 8.230 nan 0.000 0.480 391 H N -1.471 117.594 119.070 -0.008 0.000 2.840 391 H HA 0.629 5.183 4.556 -0.003 0.000 0.340 391 H C -1.236 174.156 175.328 0.105 0.000 1.004 391 H CA -0.542 55.533 56.048 0.044 0.000 1.288 391 H CB 1.805 31.588 29.762 0.035 0.000 1.607 391 H HN -0.267 nan 8.280 nan 0.000 0.522 392 V N 5.435 125.508 119.914 0.264 0.000 2.383 392 V HA 0.207 4.325 4.120 -0.003 0.000 0.261 392 V C -2.408 173.886 176.094 0.333 0.000 0.987 392 V CA -1.485 61.011 62.300 0.327 0.000 0.853 392 V CB 0.726 32.759 31.823 0.351 0.000 1.095 392 V HN 0.627 nan 8.190 nan 0.000 0.461 393 P HA 0.326 nan 4.420 nan 0.000 0.271 393 P C -0.410 177.065 177.300 0.291 0.000 1.233 393 P CA 0.276 63.529 63.100 0.255 0.000 0.764 393 P CB 1.338 33.142 31.700 0.174 0.000 0.825 394 I N 2.478 123.251 120.570 0.338 0.000 3.002 394 I HA 0.721 4.890 4.170 -0.003 0.000 0.310 394 I C -0.235 176.069 176.117 0.312 0.000 1.087 394 I CA -1.817 59.721 61.300 0.398 0.000 1.017 394 I CB 2.444 40.802 38.000 0.597 0.000 1.226 394 I HN 0.220 nan 8.210 nan 0.000 0.443 395 I N 1.078 121.817 120.570 0.283 0.000 2.828 395 I HA 0.850 5.018 4.170 -0.003 0.000 0.302 395 I C -1.430 174.817 176.117 0.216 0.000 1.101 395 I CA -0.684 60.643 61.300 0.044 0.000 1.031 395 I CB 2.238 40.233 38.000 -0.008 0.000 1.231 395 I HN 0.814 nan 8.210 nan 0.000 0.427 396 F N 1.931 121.959 119.950 0.129 0.000 2.693 396 F HA 0.787 5.311 4.527 -0.005 0.000 0.309 396 F C -3.076 172.766 175.800 0.069 0.000 1.129 396 F CA -2.352 55.726 58.000 0.130 0.000 0.948 396 F CB 0.544 39.643 39.000 0.165 0.000 1.315 396 F HN 0.264 nan 8.300 nan 0.000 0.447 397 P HA 0.128 nan 4.420 nan 0.000 0.271 397 P C -1.049 176.382 177.300 0.219 0.000 1.216 397 P CA -0.250 62.931 63.100 0.136 0.000 0.771 397 P CB 1.033 32.802 31.700 0.115 0.000 0.864 398 K N 1.448 121.908 120.400 0.099 0.000 2.524 398 K HA 0.316 4.635 4.320 -0.003 0.000 0.279 398 K C 1.063 177.751 176.600 0.146 0.000 0.993 398 K CA 0.431 56.792 56.287 0.124 0.000 1.030 398 K CB 0.115 32.635 32.500 0.033 0.000 0.891 398 K HN 0.641 nan 8.250 nan 0.000 0.488 399 G N 1.839 110.741 108.800 0.170 0.000 3.211 399 G HA2 0.510 4.468 3.960 -0.003 0.000 0.262 399 G HA3 0.510 4.468 3.960 -0.003 0.000 0.262 399 G C -1.236 173.709 174.900 0.075 0.000 1.352 399 G CA -0.615 44.548 45.100 0.106 0.000 1.004 399 G HN 0.309 nan 8.290 nan 0.000 0.559 400 K N 0.012 120.443 120.400 0.050 0.000 2.259 400 K HA 0.549 4.867 4.320 -0.003 0.000 0.249 400 K C -0.008 176.613 176.600 0.036 0.000 0.942 400 K CA -0.581 55.728 56.287 0.038 0.000 0.816 400 K CB 1.887 34.402 32.500 0.026 0.000 1.155 400 K HN 0.392 nan 8.250 nan 0.000 0.428 401 R N 1.640 122.160 120.500 0.034 0.000 2.641 401 R HA 0.195 4.533 4.340 -0.003 0.000 0.269 401 R C 0.808 177.122 176.300 0.024 0.000 1.074 401 R CA -0.184 55.937 56.100 0.034 0.000 1.133 401 R CB 0.324 30.643 30.300 0.032 0.000 1.029 401 R HN 0.500 nan 8.270 nan 0.000 0.488 402 L N 0.026 121.263 121.223 0.023 0.000 2.162 402 L HA 0.031 4.369 4.340 -0.003 0.000 0.205 402 L C 0.937 177.817 176.870 0.016 0.000 1.086 402 L CA 0.900 55.750 54.840 0.017 0.000 0.778 402 L CB 0.067 42.135 42.059 0.014 0.000 0.928 402 L HN 0.474 nan 8.230 nan 0.000 0.446 403 S N -0.822 114.890 115.700 0.020 0.000 2.500 403 S HA 0.446 4.914 4.470 -0.003 0.000 0.301 403 S C -0.765 173.846 174.600 0.018 0.000 1.092 403 S CA -0.532 57.678 58.200 0.018 0.000 1.030 403 S CB 1.115 64.326 63.200 0.018 0.000 1.031 403 S HN 0.373 nan 8.310 nan 0.000 0.483 404 E N 0.000 120.209 120.200 0.014 0.000 2.725 404 E HA 0.000 4.348 4.350 -0.003 0.000 0.291 404 E CA 0.000 56.408 56.400 0.013 0.000 0.976 404 E CB 0.000 29.708 29.700 0.014 0.000 0.812 404 E HN 0.000 nan 8.360 nan 0.000 0.440