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 1kya_1_D DATA FIRST_RESID 1 DATA SEQUENCE GIGPVADLTI TNAAVSPDGF SRQAVVVNGG TPGPLITGNM GDRFQLNVID DATA SEQUENCE NLTNHTMLKS TSIHWHGFFQ KGTNWADGPA FINQcPISSG HSFLYDFQVP DATA SEQUENCE DQAGTFWYHS HLSTQYcDGL RGPFVVYDPN DPAADLYDVD NDDTVITLVD DATA SEQUENCE WYHVAAKLGP AFPLGADATL INGKGRSPST TTADLSVISV TPGKRYRFRL DATA SEQUENCE VSLScDPNYT FSIDGHNMTI IETDSINTAP LVVDSIQIFA AQRYSFVLEA DATA SEQUENCE NQAVDNYWIR ANPNFGNVGF TGGINSAILR YDGAAAVEPT TTQTTSTAPL DATA SEQUENCE NEVNLHPLVA TAVPGSPVAG GVDLAINMAF NFNGTNFFIN GASFTPPTVP DATA SEQUENCE VLLQIISGAQ NAQDLLPSGS VYSLPSNADI EISFPATAAA PGAPHPFHLH DATA SEQUENCE GHAFAVVRSA GSTVYNYDNP IFRDVVSTGT PAAGDNVTIR FRTDNPGPWF DATA SEQUENCE LHCHIDFHLE AGFAVVFAED IPDVASANPV PQAWSDLcPT YDARDPSDQ 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 1 G HA2 0.000 nan 3.960 nan 0.000 0.244 1 G HA3 0.000 3.960 3.960 0.000 0.000 0.244 1 G C 0.000 174.912 174.900 0.020 0.000 0.946 1 G CA 0.000 45.133 45.100 0.054 0.000 0.502 2 I N 0.146 120.713 120.570 -0.004 0.000 2.291 2 I HA 0.589 4.759 4.170 0.000 0.000 0.292 2 I C 1.067 177.144 176.117 -0.067 0.000 1.064 2 I CA -0.429 60.851 61.300 -0.033 0.000 1.269 2 I CB 0.320 38.299 38.000 -0.035 0.000 1.418 2 I HN 0.784 nan 8.210 nan 0.000 0.485 3 G N 6.744 115.505 108.800 -0.066 0.000 3.365 3 G HA2 -0.081 3.879 3.960 0.000 0.000 0.238 3 G HA3 -0.081 3.879 3.960 0.000 0.000 0.238 3 G C -1.434 173.356 174.900 -0.184 0.000 1.264 3 G CA -0.444 44.592 45.100 -0.107 0.000 0.876 3 G HN 0.615 nan 8.290 nan 0.000 0.610 4 P HA -0.068 nan 4.420 nan 0.000 0.217 4 P C 0.725 177.774 177.300 -0.418 0.000 1.148 4 P CA 1.583 64.297 63.100 -0.643 0.000 0.834 4 P CB -0.104 31.076 31.700 -0.866 0.000 0.783 5 V N -4.029 115.717 119.914 -0.279 0.000 2.384 5 V HA 0.868 4.988 4.120 0.000 0.000 0.287 5 V C -0.524 175.489 176.094 -0.136 0.000 1.020 5 V CA -1.012 61.167 62.300 -0.201 0.000 0.850 5 V CB 0.889 32.609 31.823 -0.172 0.000 0.987 5 V HN 0.077 nan 8.190 nan 0.000 0.436 6 A N 3.516 126.271 122.820 -0.108 0.000 2.586 6 A HA 0.710 5.030 4.320 0.000 0.000 0.291 6 A C -1.535 176.031 177.584 -0.031 0.000 1.062 6 A CA -0.733 51.264 52.037 -0.067 0.000 0.666 6 A CB 1.550 20.504 19.000 -0.075 0.000 1.281 6 A HN 0.779 nan 8.150 nan 0.000 0.421 7 D N 0.810 121.209 120.400 -0.002 0.000 2.163 7 D HA 0.568 5.208 4.640 0.000 0.000 0.248 7 D C -0.858 175.477 176.300 0.058 0.000 1.035 7 D CA 0.120 54.142 54.000 0.037 0.000 0.872 7 D CB 1.676 42.499 40.800 0.039 0.000 1.183 7 D HN 0.399 nan 8.370 nan 0.000 0.445 8 L N 2.010 123.295 121.223 0.103 0.000 2.366 8 L HA 0.234 4.574 4.340 0.000 0.000 0.266 8 L C -0.057 176.906 176.870 0.156 0.000 1.010 8 L CA -0.520 54.397 54.840 0.129 0.000 0.879 8 L CB 1.311 43.462 42.059 0.155 0.000 1.228 8 L HN 0.098 nan 8.230 nan 0.000 0.439 9 T N 4.065 118.697 114.554 0.131 0.000 2.723 9 T HA 0.399 4.749 4.350 0.000 0.000 0.297 9 T C 0.296 175.081 174.700 0.142 0.000 0.925 9 T CA -0.271 61.906 62.100 0.128 0.000 1.030 9 T CB 0.579 69.506 68.868 0.099 0.000 0.905 9 T HN 0.153 nan 8.240 nan 0.000 0.502 10 I N 4.974 125.638 120.570 0.157 0.000 2.342 10 I HA 0.426 4.596 4.170 0.000 0.000 0.291 10 I C 0.998 177.199 176.117 0.139 0.000 1.010 10 I CA -0.482 60.915 61.300 0.163 0.000 1.308 10 I CB 0.278 38.388 38.000 0.184 0.000 1.400 10 I HN 0.700 nan 8.210 nan 0.000 0.488 11 T N 2.708 117.342 114.554 0.132 0.000 2.754 11 T HA 0.519 4.869 4.350 0.000 0.000 0.296 11 T C -0.529 174.243 174.700 0.118 0.000 1.205 11 T CA -1.017 61.152 62.100 0.115 0.000 1.009 11 T CB 1.716 70.642 68.868 0.097 0.000 1.368 11 T HN 0.460 nan 8.240 nan 0.000 0.509 12 N N -0.403 118.360 118.700 0.106 0.000 2.456 12 N HA 0.763 5.503 4.740 0.000 0.000 0.296 12 N C -1.015 174.552 175.510 0.095 0.000 1.102 12 N CA -0.664 52.450 53.050 0.107 0.000 0.924 12 N CB 1.801 40.346 38.487 0.097 0.000 1.186 12 N HN 1.062 nan 8.380 nan 0.000 0.492 13 A N 0.386 123.266 122.820 0.101 0.000 2.594 13 A HA 0.707 5.027 4.320 0.000 0.000 0.296 13 A C -1.365 176.272 177.584 0.089 0.000 1.056 13 A CA -0.762 51.325 52.037 0.083 0.000 0.693 13 A CB 0.579 19.626 19.000 0.077 0.000 1.278 13 A HN 0.684 nan 8.150 nan 0.000 0.408 14 A N 0.410 123.268 122.820 0.062 0.000 2.401 14 A HA 0.665 4.985 4.320 0.000 0.000 0.259 14 A C -0.010 177.606 177.584 0.054 0.000 1.103 14 A CA 0.020 52.087 52.037 0.050 0.000 0.789 14 A CB 0.548 19.556 19.000 0.013 0.000 1.035 14 A HN 2.198 nan 8.150 nan 0.000 0.491 15 V N 1.606 121.565 119.914 0.075 0.000 3.188 15 V HA 0.762 4.882 4.120 0.000 0.000 0.305 15 V C -0.376 175.755 176.094 0.063 0.000 1.232 15 V CA 0.306 62.640 62.300 0.057 0.000 1.043 15 V CB 2.820 34.680 31.823 0.061 0.000 1.068 15 V HN 1.579 nan 8.190 nan 0.000 0.439 16 S N 2.687 118.396 115.700 0.014 0.000 2.606 16 S HA 0.392 4.862 4.470 0.000 0.000 0.156 16 S C -1.891 172.704 174.600 -0.008 0.000 1.308 16 S CA -0.303 57.919 58.200 0.037 0.000 1.228 16 S CB 1.063 64.268 63.200 0.009 0.000 1.568 16 S HN 0.692 nan 8.310 nan 0.000 0.397 17 P HA -0.090 nan 4.420 nan 0.000 0.219 17 P C 0.439 177.707 177.300 -0.053 0.000 1.146 17 P CA 1.473 64.469 63.100 -0.174 0.000 0.808 17 P CB -0.039 31.398 31.700 -0.438 0.000 0.779 18 D N -2.436 118.000 120.400 0.060 0.000 2.440 18 D HA 0.169 4.809 4.640 0.000 0.000 0.216 18 D C 1.323 177.725 176.300 0.170 0.000 1.150 18 D CA 0.194 54.280 54.000 0.143 0.000 0.832 18 D CB -0.084 40.875 40.800 0.265 0.000 0.992 18 D HN 0.247 nan 8.370 nan 0.000 0.502 19 G N 0.312 109.193 108.800 0.135 0.000 2.232 19 G HA2 -0.242 3.718 3.960 0.000 0.000 0.226 19 G HA3 -0.242 3.718 3.960 0.000 0.000 0.226 19 G C -0.211 174.778 174.900 0.148 0.000 0.996 19 G CA -0.069 45.104 45.100 0.121 0.000 0.626 19 G HN 0.357 nan 8.290 nan 0.000 0.509 20 F N 2.998 122.955 119.950 0.011 0.000 2.405 20 F HA 0.736 5.263 4.527 0.000 0.000 0.355 20 F C 0.559 176.351 175.800 -0.015 0.000 1.121 20 F CA -0.622 57.316 58.000 -0.103 0.000 1.112 20 F CB 1.712 40.414 39.000 -0.496 0.000 1.126 20 F HN 0.100 nan 8.300 nan 0.000 0.481 21 S N 6.168 121.484 115.700 -0.641 0.000 2.528 21 S HA 0.651 5.121 4.470 0.000 0.000 0.277 21 S C -0.572 173.688 174.600 -0.567 0.000 1.297 21 S CA -0.459 57.481 58.200 -0.434 0.000 1.052 21 S CB 0.011 63.027 63.200 -0.306 0.000 0.917 21 S HN 0.818 nan 8.310 nan 0.000 0.492 22 R N 3.031 123.447 120.500 -0.140 0.000 2.594 22 R HA 0.408 4.748 4.340 0.000 0.000 0.265 22 R C -1.443 174.929 176.300 0.120 0.000 1.070 22 R CA -0.858 55.240 56.100 -0.002 0.000 0.909 22 R CB 0.347 30.758 30.300 0.185 0.000 1.243 22 R HN 0.400 nan 8.270 nan 0.000 0.455 23 Q N 1.084 120.941 119.800 0.097 0.000 2.392 23 Q HA 0.605 4.945 4.340 0.000 0.000 0.262 23 Q C -0.374 175.735 176.000 0.182 0.000 1.003 23 Q CA 0.637 56.511 55.803 0.117 0.000 0.888 23 Q CB 1.574 30.363 28.738 0.084 0.000 1.260 23 Q HN 0.840 nan 8.270 nan 0.000 0.435 24 A N 1.112 124.052 122.820 0.200 0.000 2.536 24 A HA 0.559 4.879 4.320 0.000 0.000 0.293 24 A C -1.362 176.350 177.584 0.212 0.000 1.119 24 A CA -0.644 51.548 52.037 0.258 0.000 0.654 24 A CB 1.002 20.279 19.000 0.461 0.000 1.291 24 A HN 0.333 nan 8.150 nan 0.000 0.439 25 V N 0.699 120.751 119.914 0.231 0.000 2.406 25 V HA 0.521 4.641 4.120 0.000 0.000 0.272 25 V C -0.239 175.979 176.094 0.206 0.000 1.043 25 V CA -0.317 62.102 62.300 0.198 0.000 0.915 25 V CB 0.913 32.853 31.823 0.195 0.000 0.988 25 V HN 0.664 nan 8.190 nan 0.000 0.466 26 V N 5.710 125.727 119.914 0.172 0.000 2.715 26 V HA 0.539 4.659 4.120 0.000 0.000 0.310 26 V C -0.442 175.749 176.094 0.162 0.000 1.054 26 V CA -0.482 61.911 62.300 0.155 0.000 0.928 26 V CB 2.655 34.552 31.823 0.123 0.000 1.007 26 V HN 0.610 nan 8.190 nan 0.000 0.437 27 V N 5.188 125.204 119.914 0.171 0.000 2.357 27 V HA 0.448 4.568 4.120 0.000 0.000 0.284 27 V C 0.293 176.480 176.094 0.156 0.000 1.018 27 V CA -0.677 61.741 62.300 0.196 0.000 0.841 27 V CB 1.047 33.044 31.823 0.290 0.000 0.991 27 V HN 0.998 nan 8.190 nan 0.000 0.437 28 N N 4.115 122.894 118.700 0.132 0.000 2.708 28 N HA -0.224 4.516 4.740 0.000 0.000 0.249 28 N C 1.140 176.701 175.510 0.085 0.000 1.097 28 N CA 1.855 54.966 53.050 0.101 0.000 0.710 28 N CB -1.176 37.370 38.487 0.098 0.000 1.032 28 N HN 1.455 nan 8.380 nan 0.000 0.551 29 G N -3.261 105.591 108.800 0.087 0.000 2.232 29 G HA2 -0.062 3.898 3.960 0.000 0.000 0.226 29 G HA3 -0.062 3.898 3.960 0.000 0.000 0.226 29 G C 0.297 175.235 174.900 0.063 0.000 0.996 29 G CA 0.332 45.474 45.100 0.069 0.000 0.626 29 G HN 1.014 nan 8.290 nan 0.000 0.509 30 G N -1.095 107.748 108.800 0.072 0.000 2.519 30 G HA2 0.616 4.577 3.960 0.000 0.000 0.307 30 G HA3 0.616 4.577 3.960 0.000 0.000 0.307 30 G C 0.556 175.491 174.900 0.059 0.000 1.266 30 G CA 0.974 46.103 45.100 0.048 0.000 0.970 30 G HN 0.274 nan 8.290 nan 0.000 0.481 31 T N 1.627 116.187 114.554 0.009 0.000 2.590 31 T HA 0.024 4.374 4.350 0.000 0.000 0.257 31 T C -1.583 173.130 174.700 0.021 0.000 1.080 31 T CA 1.032 63.143 62.100 0.019 0.000 1.180 31 T CB -0.657 68.134 68.868 -0.127 0.000 0.865 31 T HN 0.256 nan 8.240 nan 0.000 0.403 32 P HA 0.159 nan 4.420 nan 0.000 0.258 32 P C 0.224 177.544 177.300 0.034 0.000 1.214 32 P CA 0.097 63.184 63.100 -0.021 0.000 0.872 32 P CB -0.218 31.441 31.700 -0.067 0.000 0.890 33 G N 5.887 114.728 108.800 0.068 0.000 2.720 33 G HA2 0.116 4.076 3.960 0.000 0.000 0.237 33 G HA3 0.116 4.076 3.960 0.000 0.000 0.237 33 G C -2.358 172.683 174.900 0.234 0.000 1.239 33 G CA -0.758 44.461 45.100 0.199 0.000 0.847 33 G HN 0.276 nan 8.290 nan 0.000 0.593 34 P HA 0.104 nan 4.420 nan 0.000 0.268 34 P C 0.016 177.464 177.300 0.247 0.000 1.205 34 P CA -0.567 62.651 63.100 0.197 0.000 0.771 34 P CB 0.690 32.477 31.700 0.145 0.000 0.858 35 L N 4.794 126.116 121.223 0.165 0.000 2.477 35 L HA 0.150 4.490 4.340 0.000 0.000 0.272 35 L C -0.563 176.355 176.870 0.079 0.000 1.157 35 L CA 0.495 55.430 54.840 0.158 0.000 0.889 35 L CB -0.797 41.331 42.059 0.117 0.000 1.158 35 L HN 0.238 nan 8.230 nan 0.000 0.473 36 I N 5.311 125.884 120.570 0.006 0.000 2.353 36 I HA 0.439 4.609 4.170 0.000 0.000 0.293 36 I C 0.342 176.257 176.117 -0.336 0.000 0.992 36 I CA -0.253 60.863 61.300 -0.307 0.000 1.268 36 I CB 1.468 39.005 38.000 -0.772 0.000 1.387 36 I HN 0.812 nan 8.210 nan 0.000 0.478 37 T N 1.791 116.246 114.554 -0.165 0.000 2.865 37 T HA 0.939 5.289 4.350 0.000 0.000 0.294 37 T C -0.402 174.410 174.700 0.187 0.000 1.119 37 T CA -0.828 61.297 62.100 0.042 0.000 1.007 37 T CB 2.346 71.345 68.868 0.218 0.000 1.225 37 T HN 0.918 nan 8.240 nan 0.000 0.515 38 G N 0.548 109.542 108.800 0.324 0.000 2.356 38 G HA2 0.478 4.438 3.960 0.000 0.000 0.294 38 G HA3 0.478 4.438 3.960 0.000 0.000 0.294 38 G C -2.101 173.010 174.900 0.351 0.000 1.423 38 G CA -0.955 44.316 45.100 0.284 0.000 0.806 38 G HN 0.813 nan 8.290 nan 0.000 0.527 39 N N 0.115 118.944 118.700 0.216 0.000 2.430 39 N HA 0.419 5.159 4.740 0.000 0.000 0.298 39 N C 0.276 175.911 175.510 0.209 0.000 1.130 39 N CA -0.694 52.489 53.050 0.223 0.000 0.894 39 N CB 1.900 40.469 38.487 0.136 0.000 1.209 39 N HN 0.742 nan 8.380 nan 0.000 0.503 40 M N 0.802 120.522 119.600 0.201 0.000 2.261 40 M HA 0.073 4.553 4.480 0.000 0.000 0.350 40 M C 0.977 177.350 176.300 0.123 0.000 1.343 40 M CA 1.505 56.910 55.300 0.175 0.000 1.003 40 M CB -0.297 32.393 32.600 0.150 0.000 1.848 40 M HN 0.899 nan 8.290 nan 0.000 0.456 41 G N 3.154 112.025 108.800 0.118 0.000 2.254 41 G HA2 -0.217 3.743 3.960 0.000 0.000 0.225 41 G HA3 -0.217 3.743 3.960 0.000 0.000 0.225 41 G C -0.279 174.632 174.900 0.018 0.000 1.003 41 G CA 0.097 45.236 45.100 0.065 0.000 0.622 41 G HN 0.704 nan 8.290 nan 0.000 0.507 42 D N 0.536 120.932 120.400 -0.006 0.000 2.400 42 D HA 0.400 5.040 4.640 0.000 0.000 0.238 42 D C 0.848 176.998 176.300 -0.250 0.000 1.157 42 D CA 0.129 54.008 54.000 -0.202 0.000 0.889 42 D CB 0.459 41.000 40.800 -0.431 0.000 1.199 42 D HN 0.423 nan 8.370 nan 0.000 0.436 43 R N 2.016 122.300 120.500 -0.358 0.000 2.207 43 R HA 0.242 4.582 4.340 0.000 0.000 0.334 43 R C -0.922 175.022 176.300 -0.594 0.000 1.013 43 R CA -0.521 55.377 56.100 -0.337 0.000 0.858 43 R CB 0.152 30.318 30.300 -0.223 0.000 1.094 43 R HN 0.202 nan 8.270 nan 0.000 0.457 44 F N 2.812 122.367 119.950 -0.659 0.000 2.411 44 F HA 0.263 4.790 4.527 0.000 0.000 0.350 44 F C 0.438 175.785 175.800 -0.756 0.000 1.114 44 F CA -0.183 57.338 58.000 -0.799 0.000 1.135 44 F CB 1.719 39.992 39.000 -1.213 0.000 1.120 44 F HN 0.330 nan 8.300 nan 0.000 0.495 45 Q N 5.046 124.620 119.800 -0.377 0.000 2.558 45 Q HA 0.407 4.747 4.340 0.000 0.000 0.252 45 Q C -1.319 174.566 176.000 -0.193 0.000 1.015 45 Q CA -0.310 55.338 55.803 -0.259 0.000 0.720 45 Q CB 1.585 30.205 28.738 -0.196 0.000 1.215 45 Q HN 0.594 nan 8.270 nan 0.000 0.500 46 L N 2.189 123.305 121.223 -0.179 0.000 2.262 46 L HA 0.398 4.738 4.340 0.000 0.000 0.288 46 L C -0.101 176.827 176.870 0.097 0.000 1.035 46 L CA -0.777 54.016 54.840 -0.077 0.000 0.820 46 L CB 0.651 42.580 42.059 -0.217 0.000 1.204 46 L HN 0.362 nan 8.230 nan 0.000 0.424 47 N N 2.890 121.637 118.700 0.077 0.000 2.420 47 N HA 0.223 4.963 4.740 0.000 0.000 0.249 47 N C -0.863 174.767 175.510 0.201 0.000 1.033 47 N CA -0.292 52.827 53.050 0.114 0.000 0.944 47 N CB 1.225 39.743 38.487 0.051 0.000 1.113 47 N HN 0.257 nan 8.380 nan 0.000 0.502 48 V N 5.790 125.897 119.914 0.321 0.000 2.353 48 V HA 0.270 4.390 4.120 0.000 0.000 0.264 48 V C 0.469 176.731 176.094 0.279 0.000 1.049 48 V CA -0.472 62.040 62.300 0.354 0.000 0.896 48 V CB 0.077 32.223 31.823 0.537 0.000 1.025 48 V HN 0.573 nan 8.190 nan 0.000 0.475 49 I N 4.208 124.905 120.570 0.212 0.000 2.291 49 I HA 0.254 4.424 4.170 0.000 0.000 0.290 49 I C 0.044 176.266 176.117 0.175 0.000 1.050 49 I CA -0.299 61.106 61.300 0.175 0.000 1.245 49 I CB 1.073 39.150 38.000 0.128 0.000 1.405 49 I HN 0.486 nan 8.210 nan 0.000 0.478 50 D N 6.641 127.153 120.400 0.187 0.000 2.393 50 D HA 0.105 4.745 4.640 0.000 0.000 0.232 50 D C -0.029 176.354 176.300 0.137 0.000 1.192 50 D CA 0.031 54.136 54.000 0.175 0.000 0.882 50 D CB 0.487 41.406 40.800 0.199 0.000 1.038 50 D HN 0.331 nan 8.370 nan 0.000 0.499 51 N N 4.148 122.921 118.700 0.122 0.000 2.467 51 N HA 0.156 4.896 4.740 0.000 0.000 0.278 51 N C -0.206 175.364 175.510 0.100 0.000 1.306 51 N CA -0.276 52.832 53.050 0.096 0.000 0.905 51 N CB 0.384 38.920 38.487 0.082 0.000 1.236 51 N HN 0.417 nan 8.380 nan 0.000 0.509 52 L N 0.224 121.517 121.223 0.116 0.000 2.452 52 L HA 0.223 4.563 4.340 0.000 0.000 0.267 52 L C 1.569 178.502 176.870 0.105 0.000 1.188 52 L CA 0.313 55.223 54.840 0.116 0.000 0.821 52 L CB 0.783 42.921 42.059 0.132 0.000 1.102 52 L HN 0.199 nan 8.230 nan 0.000 0.470 53 T N -3.818 110.796 114.554 0.100 0.000 3.080 53 T HA 0.103 4.453 4.350 0.000 0.000 0.280 53 T C 0.446 175.207 174.700 0.102 0.000 0.926 53 T CA -0.366 61.788 62.100 0.092 0.000 0.883 53 T CB 0.014 68.926 68.868 0.074 0.000 1.194 53 T HN 0.350 nan 8.240 nan 0.000 0.541 54 N N 1.836 120.601 118.700 0.108 0.000 2.500 54 N HA 0.206 4.946 4.740 0.000 0.000 0.236 54 N C 0.585 176.171 175.510 0.127 0.000 1.022 54 N CA -0.002 53.114 53.050 0.110 0.000 0.935 54 N CB 1.080 39.621 38.487 0.090 0.000 1.147 54 N HN 0.370 nan 8.380 nan 0.000 0.512 55 H N 2.572 121.679 119.070 0.061 0.000 2.352 55 H HA -0.132 4.424 4.556 0.000 0.000 0.299 55 H C 1.673 177.038 175.328 0.061 0.000 1.097 55 H CA 2.759 58.844 56.048 0.061 0.000 1.311 55 H CB 0.143 29.933 29.762 0.046 0.000 1.377 55 H HN 0.567 nan 8.280 nan 0.000 0.504 56 T N -2.161 112.324 114.554 -0.115 0.000 2.897 56 T HA -0.154 4.196 4.350 0.000 0.000 0.271 56 T C 1.680 176.312 174.700 -0.112 0.000 1.084 56 T CA 1.578 63.583 62.100 -0.158 0.000 1.123 56 T CB -0.197 68.656 68.868 -0.025 0.000 0.865 56 T HN 0.406 nan 8.240 nan 0.000 0.496 57 M N 0.587 120.158 119.600 -0.048 0.000 2.346 57 M HA 0.434 4.914 4.480 0.000 0.000 0.280 57 M C -0.505 175.805 176.300 0.017 0.000 1.075 57 M CA -0.173 55.128 55.300 0.001 0.000 0.989 57 M CB 0.365 32.996 32.600 0.051 0.000 1.447 57 M HN 0.110 nan 8.290 nan 0.000 0.511 58 L N 1.329 122.537 121.223 -0.026 0.000 2.492 58 L HA -0.217 4.123 4.340 0.000 0.000 0.668 58 L C 0.573 177.518 176.870 0.125 0.000 1.022 58 L CA -0.181 54.683 54.840 0.040 0.000 1.371 58 L CB -0.771 41.331 42.059 0.072 0.000 2.041 58 L HN 0.401 nan 8.230 nan 0.000 0.953 59 K N -0.365 120.135 120.400 0.166 0.000 2.442 59 K HA -0.059 4.261 4.320 0.000 0.000 0.200 59 K C 0.893 177.601 176.600 0.181 0.000 1.045 59 K CA 0.938 57.325 56.287 0.168 0.000 0.937 59 K CB -0.075 32.527 32.500 0.169 0.000 0.757 59 K HN 0.491 nan 8.250 nan 0.000 0.474 60 S N -0.052 115.771 115.700 0.206 0.000 2.672 60 S HA 0.352 4.822 4.470 0.000 0.000 0.276 60 S C 0.059 174.756 174.600 0.160 0.000 1.207 60 S CA -0.713 57.616 58.200 0.214 0.000 1.002 60 S CB 1.912 65.304 63.200 0.319 0.000 0.998 60 S HN 0.146 nan 8.310 nan 0.000 0.542 61 T N 0.104 114.736 114.554 0.130 0.000 2.802 61 T HA 0.610 4.960 4.350 0.000 0.000 0.311 61 T C -1.820 172.940 174.700 0.101 0.000 1.405 61 T CA -0.446 61.728 62.100 0.123 0.000 1.016 61 T CB 1.601 70.567 68.868 0.163 0.000 1.352 61 T HN 0.534 nan 8.240 nan 0.000 0.498 62 S N 1.607 117.370 115.700 0.106 0.000 2.543 62 S HA 0.717 5.187 4.470 0.000 0.000 0.273 62 S C -1.708 172.928 174.600 0.060 0.000 1.152 62 S CA -0.638 57.638 58.200 0.126 0.000 0.910 62 S CB 0.663 63.873 63.200 0.017 0.000 1.105 62 S HN 0.621 nan 8.310 nan 0.000 0.465 63 I N 3.938 124.475 120.570 -0.056 0.000 2.433 63 I HA 0.386 4.556 4.170 0.000 0.000 0.292 63 I C -0.440 175.109 176.117 -0.946 0.000 1.001 63 I CA -0.770 60.224 61.300 -0.511 0.000 1.119 63 I CB 1.822 39.418 38.000 -0.674 0.000 1.289 63 I HN 0.727 nan 8.210 nan 0.000 0.438 64 H N 5.311 123.803 119.070 -0.964 0.000 2.458 64 H HA 0.396 4.952 4.556 0.000 0.000 0.330 64 H C -1.648 172.971 175.328 -1.182 0.000 1.111 64 H CA -0.722 54.785 56.048 -0.900 0.000 1.245 64 H CB 0.923 30.465 29.762 -0.366 0.000 1.456 64 H HN 0.391 nan 8.280 nan 0.000 0.488 65 W N 4.898 125.575 121.300 -1.038 0.000 2.309 65 W HA 0.212 4.872 4.660 0.000 0.000 0.332 65 W C -0.208 175.729 176.519 -0.970 0.000 0.962 65 W CA -0.951 55.960 57.345 -0.723 0.000 1.497 65 W CB -0.260 28.880 29.460 -0.533 0.000 1.308 65 W HN 0.685 nan 8.180 nan 0.000 0.384 66 H N 1.971 120.515 119.070 -0.877 0.000 3.145 66 H HA 0.280 4.836 4.556 0.000 0.000 0.288 66 H C 1.383 176.551 175.328 -0.266 0.000 0.969 66 H CA 2.157 57.903 56.048 -0.502 0.000 1.444 66 H CB 0.316 29.660 29.762 -0.697 0.000 1.500 66 H HN 0.797 nan 8.280 nan 0.000 0.552 67 G N 3.922 112.678 108.800 -0.074 0.000 2.376 67 G HA2 -0.266 3.694 3.960 0.000 0.000 0.208 67 G HA3 -0.266 3.694 3.960 0.000 0.000 0.208 67 G C -0.111 174.577 174.900 -0.353 0.000 1.032 67 G CA -0.131 44.941 45.100 -0.046 0.000 0.641 67 G HN 0.501 nan 8.290 nan 0.000 0.503 68 F N 1.837 121.583 119.950 -0.339 0.000 2.495 68 F HA 0.574 5.101 4.527 0.000 0.000 0.365 68 F C 1.481 177.058 175.800 -0.372 0.000 1.090 68 F CA -0.590 57.062 58.000 -0.580 0.000 1.235 68 F CB 0.307 38.836 39.000 -0.785 0.000 1.119 68 F HN -0.016 nan 8.300 nan 0.000 0.562 69 F N 0.198 120.110 119.950 -0.063 0.000 2.293 69 F HA -0.127 4.400 4.527 0.000 0.000 0.300 69 F C 1.490 177.184 175.800 -0.176 0.000 1.086 69 F CA 0.479 58.347 58.000 -0.219 0.000 1.375 69 F CB -0.787 38.095 39.000 -0.197 0.000 1.045 69 F HN 0.409 nan 8.300 nan 0.000 0.516 70 Q N 0.104 119.942 119.800 0.063 0.000 2.480 70 Q HA -0.281 4.059 4.340 0.000 0.000 0.265 70 Q C 0.333 176.435 176.000 0.171 0.000 1.072 70 Q CA 0.688 56.513 55.803 0.037 0.000 1.018 70 Q CB -1.904 26.887 28.738 0.088 0.000 1.433 70 Q HN 0.516 nan 8.270 nan 0.000 0.513 71 K N 0.274 120.775 120.400 0.168 0.000 2.453 71 K HA 0.149 4.469 4.320 0.000 0.000 0.280 71 K C 1.260 177.945 176.600 0.142 0.000 1.045 71 K CA 1.284 57.677 56.287 0.178 0.000 1.059 71 K CB -0.120 32.461 32.500 0.135 0.000 0.901 71 K HN 0.438 nan 8.250 nan 0.000 0.475 72 G N 2.670 111.559 108.800 0.149 0.000 2.199 72 G HA2 -0.263 3.697 3.960 0.000 0.000 0.254 72 G HA3 -0.263 3.697 3.960 0.000 0.000 0.254 72 G C 0.273 175.233 174.900 0.101 0.000 0.982 72 G CA 0.547 45.718 45.100 0.120 0.000 0.632 72 G HN 0.749 nan 8.290 nan 0.000 0.529 73 T N -2.275 112.277 114.554 -0.004 0.000 3.697 73 T HA 0.415 4.765 4.350 0.000 0.000 0.260 73 T C 0.780 175.183 174.700 -0.494 0.000 0.998 73 T CA 0.618 62.513 62.100 -0.343 0.000 1.128 73 T CB 0.386 69.028 68.868 -0.378 0.000 1.082 73 T HN 0.189 nan 8.240 nan 0.000 0.541 74 N N 1.589 120.151 118.700 -0.230 0.000 2.272 74 N HA -0.119 4.621 4.740 0.000 0.000 0.185 74 N C 1.687 177.044 175.510 -0.255 0.000 1.014 74 N CA 1.949 54.828 53.050 -0.285 0.000 0.870 74 N CB -0.250 37.987 38.487 -0.417 0.000 0.975 74 N HN 0.830 nan 8.380 nan 0.000 0.433 75 W N -1.146 120.042 121.300 -0.186 0.000 2.699 75 W HA 0.241 4.901 4.660 0.000 0.000 0.249 75 W C 0.827 177.467 176.519 0.201 0.000 1.280 75 W CA 0.487 57.709 57.345 -0.204 0.000 1.345 75 W CB -0.605 28.335 29.460 -0.867 0.000 1.128 75 W HN 0.095 nan 8.180 nan 0.000 0.642 76 A N 0.628 123.198 122.820 -0.417 0.000 2.387 76 A HA 0.062 4.382 4.320 0.000 0.000 0.234 76 A C 1.359 179.126 177.584 0.306 0.000 1.253 76 A CA 0.597 52.643 52.037 0.015 0.000 0.894 76 A CB -0.591 18.073 19.000 -0.560 0.000 0.963 76 A HN 0.111 nan 8.150 nan 0.000 0.508 77 D N -0.576 119.928 120.400 0.174 0.000 2.219 77 D HA 0.111 4.751 4.640 0.000 0.000 0.205 77 D C 1.660 178.126 176.300 0.277 0.000 0.970 77 D CA 2.234 56.395 54.000 0.268 0.000 0.851 77 D CB 0.096 41.058 40.800 0.271 0.000 0.943 77 D HN 0.530 nan 8.370 nan 0.000 0.488 78 G N -0.943 107.980 108.800 0.205 0.000 2.475 78 G HA2 -0.234 3.726 3.960 0.000 0.000 0.209 78 G HA3 -0.234 3.726 3.960 0.000 0.000 0.209 78 G C -1.833 173.014 174.900 -0.088 0.000 1.127 78 G CA -0.215 44.935 45.100 0.084 0.000 0.681 78 G HN 0.296 nan 8.290 nan 0.000 0.517 79 P HA 0.357 nan 4.420 nan 0.000 0.253 79 P C 0.402 177.518 177.300 -0.307 0.000 1.159 79 P CA 1.127 63.872 63.100 -0.592 0.000 0.779 79 P CB 0.382 31.560 31.700 -0.870 0.000 0.745 80 A N 4.650 127.363 122.820 -0.179 0.000 2.520 80 A HA 0.233 4.553 4.320 0.000 0.000 0.245 80 A C 0.543 177.951 177.584 -0.294 0.000 1.072 80 A CA 0.063 51.865 52.037 -0.392 0.000 0.761 80 A CB -1.079 17.697 19.000 -0.372 0.000 1.004 80 A HN 0.612 nan 8.150 nan 0.000 0.499 81 F N -0.286 119.580 119.950 -0.140 0.000 2.794 81 F HA -0.251 4.276 4.527 0.000 0.000 0.335 81 F C 0.684 176.414 175.800 -0.118 0.000 0.653 81 F CA 1.098 59.030 58.000 -0.112 0.000 1.266 81 F CB -1.967 36.996 39.000 -0.063 0.000 1.666 81 F HN 0.454 nan 8.300 nan 0.000 0.314 82 I N -0.907 119.587 120.570 -0.127 0.000 3.366 82 I HA 0.111 4.281 4.170 0.000 0.000 0.267 82 I C 1.475 177.501 176.117 -0.151 0.000 1.149 82 I CA 1.309 62.462 61.300 -0.245 0.000 1.436 82 I CB -0.263 37.346 38.000 -0.652 0.000 1.379 82 I HN 0.024 nan 8.210 nan 0.000 0.460 83 N N -0.279 118.348 118.700 -0.123 0.000 2.171 83 N HA 0.214 4.954 4.740 0.000 0.000 0.212 83 N C -0.406 175.308 175.510 0.339 0.000 1.184 83 N CA -0.213 52.871 53.050 0.056 0.000 0.888 83 N CB 0.630 39.103 38.487 -0.024 0.000 1.038 83 N HN 0.415 nan 8.380 nan 0.000 0.517 84 Q N -1.804 118.043 119.800 0.077 0.000 2.900 84 Q HA 0.419 4.759 4.340 0.000 0.000 0.297 84 Q C -1.735 173.997 176.000 -0.446 0.000 0.889 84 Q CA -0.948 54.787 55.803 -0.113 0.000 0.777 84 Q CB 0.443 29.182 28.738 0.001 0.000 1.518 84 Q HN -0.072 nan 8.270 nan 0.000 0.430 85 c N 1.648 119.875 118.600 -0.622 0.000 2.398 85 c HA 0.649 5.219 4.570 0.000 0.000 0.364 85 c C -2.082 171.554 174.090 -0.757 0.000 1.219 85 c CA -0.979 54.889 56.329 -0.768 0.000 2.312 85 c CB 0.437 42.613 42.510 -0.556 0.000 2.428 85 c HN 0.658 nan 8.230 nan 0.000 0.564 86 P HA 0.159 nan 4.420 nan 0.000 0.269 86 P C -0.609 176.504 177.300 -0.311 0.000 1.217 86 P CA 0.208 62.967 63.100 -0.569 0.000 0.783 86 P CB 0.296 31.637 31.700 -0.598 0.000 0.898 87 I N 0.275 120.781 120.570 -0.107 0.000 2.662 87 I HA 0.115 4.285 4.170 0.000 0.000 0.291 87 I C 0.689 176.874 176.117 0.113 0.000 1.046 87 I CA 0.143 61.441 61.300 -0.004 0.000 1.361 87 I CB 0.606 38.684 38.000 0.131 0.000 1.429 87 I HN 0.239 nan 8.210 nan 0.000 0.558 88 S N 2.909 118.698 115.700 0.148 0.000 2.608 88 S HA 0.229 4.699 4.470 0.000 0.000 0.291 88 S C -0.113 174.663 174.600 0.294 0.000 1.146 88 S CA -0.598 57.745 58.200 0.238 0.000 1.043 88 S CB 1.676 64.998 63.200 0.204 0.000 1.037 88 S HN 0.693 nan 8.310 nan 0.000 0.520 89 S N 0.995 116.835 115.700 0.233 0.000 2.563 89 S HA 0.386 4.856 4.470 0.000 0.000 0.284 89 S C 1.439 176.123 174.600 0.139 0.000 1.331 89 S CA 0.868 59.173 58.200 0.175 0.000 1.047 89 S CB -0.300 62.981 63.200 0.135 0.000 0.859 89 S HN 1.492 nan 8.310 nan 0.000 0.514 90 G N 3.083 111.916 108.800 0.055 0.000 2.184 90 G HA2 -0.170 3.790 3.960 0.000 0.000 0.264 90 G HA3 -0.170 3.790 3.960 0.000 0.000 0.264 90 G C 0.113 174.856 174.900 -0.263 0.000 0.975 90 G CA 0.509 45.551 45.100 -0.096 0.000 0.642 90 G HN 0.847 nan 8.290 nan 0.000 0.536 91 H N -0.218 118.905 119.070 0.089 0.000 2.834 91 H HA 0.745 5.301 4.556 0.000 0.000 0.369 91 H C 0.010 175.415 175.328 0.127 0.000 1.174 91 H CA 0.197 56.303 56.048 0.097 0.000 1.165 91 H CB 2.058 31.874 29.762 0.090 0.000 1.820 91 H HN 0.562 nan 8.280 nan 0.000 0.558 92 S N 0.678 116.549 115.700 0.284 0.000 2.569 92 S HA 0.651 5.121 4.470 0.000 0.000 0.280 92 S C -1.323 173.467 174.600 0.316 0.000 1.111 92 S CA -0.821 57.533 58.200 0.256 0.000 0.887 92 S CB 2.447 65.754 63.200 0.177 0.000 1.095 92 S HN 0.419 nan 8.310 nan 0.000 0.476 93 F N 1.347 121.370 119.950 0.121 0.000 2.578 93 F HA 0.721 5.248 4.527 0.000 0.000 0.311 93 F C -1.732 174.101 175.800 0.056 0.000 1.094 93 F CA -1.345 56.687 58.000 0.053 0.000 0.923 93 F CB 1.781 40.779 39.000 -0.004 0.000 1.230 93 F HN 0.716 nan 8.300 nan 0.000 0.450 94 L N 6.537 127.312 121.223 -0.746 0.000 2.265 94 L HA 0.454 4.794 4.340 0.000 0.000 0.289 94 L C -1.742 174.769 176.870 -0.599 0.000 1.033 94 L CA -0.290 54.265 54.840 -0.476 0.000 0.814 94 L CB 0.328 42.224 42.059 -0.270 0.000 1.203 94 L HN 0.535 nan 8.230 nan 0.000 0.423 95 Y N 3.674 123.929 120.300 -0.075 0.000 2.425 95 Y HA 0.371 4.921 4.550 0.000 0.000 0.347 95 Y C -0.174 175.686 175.900 -0.067 0.000 0.976 95 Y CA -0.323 57.825 58.100 0.079 0.000 1.190 95 Y CB 0.864 39.487 38.460 0.272 0.000 1.136 95 Y HN 0.555 nan 8.280 nan 0.000 0.517 96 D N 5.571 126.052 120.400 0.135 0.000 2.469 96 D HA 0.363 5.003 4.640 0.000 0.000 0.251 96 D C -1.315 175.004 176.300 0.031 0.000 1.173 96 D CA -0.412 53.583 54.000 -0.009 0.000 0.882 96 D CB 0.227 41.075 40.800 0.079 0.000 1.129 96 D HN 0.249 nan 8.370 nan 0.000 0.549 97 F N 0.238 120.098 119.950 -0.150 0.000 2.662 97 F HA 0.578 5.105 4.527 0.000 0.000 0.312 97 F C -0.982 174.749 175.800 -0.115 0.000 1.113 97 F CA -1.022 56.872 58.000 -0.176 0.000 0.951 97 F CB 1.085 39.894 39.000 -0.319 0.000 1.344 97 F HN 0.048 nan 8.300 nan 0.000 0.462 98 Q N 0.828 120.699 119.800 0.118 0.000 2.301 98 Q HA 0.709 5.049 4.340 0.000 0.000 0.267 98 Q C -1.348 174.741 176.000 0.148 0.000 1.035 98 Q CA -1.332 54.515 55.803 0.074 0.000 0.856 98 Q CB 3.099 31.866 28.738 0.047 0.000 1.337 98 Q HN 0.638 nan 8.270 nan 0.000 0.450 99 V N 3.510 123.506 119.914 0.136 0.000 2.260 99 V HA 0.293 4.413 4.120 0.000 0.000 0.263 99 V C -2.259 173.911 176.094 0.127 0.000 1.036 99 V CA -1.149 61.215 62.300 0.106 0.000 0.874 99 V CB 0.548 32.381 31.823 0.018 0.000 1.116 99 V HN 0.613 nan 8.190 nan 0.000 0.454 100 P HA 0.481 nan 4.420 nan 0.000 0.285 100 P C 0.311 177.684 177.300 0.121 0.000 1.280 100 P CA 0.733 63.897 63.100 0.106 0.000 0.862 100 P CB 1.666 33.420 31.700 0.090 0.000 1.153 101 D N -1.808 118.660 120.400 0.114 0.000 3.059 101 D HA -0.213 4.427 4.640 0.000 0.000 0.213 101 D C 0.095 176.475 176.300 0.134 0.000 1.144 101 D CA 1.643 55.718 54.000 0.125 0.000 0.975 101 D CB -2.056 38.833 40.800 0.148 0.000 1.125 101 D HN 0.627 nan 8.370 nan 0.000 0.412 102 Q N -1.392 118.480 119.800 0.121 0.000 2.359 102 Q HA 0.767 5.107 4.340 0.000 0.000 0.274 102 Q C -0.837 175.272 176.000 0.182 0.000 1.074 102 Q CA -0.103 55.768 55.803 0.113 0.000 0.810 102 Q CB 2.533 31.283 28.738 0.020 0.000 1.342 102 Q HN 1.414 nan 8.270 nan 0.000 0.427 103 A N 0.797 123.748 122.820 0.219 0.000 2.547 103 A HA 0.840 5.160 4.320 0.000 0.000 0.298 103 A C -0.607 177.076 177.584 0.165 0.000 1.062 103 A CA 0.255 52.436 52.037 0.241 0.000 0.748 103 A CB 1.357 20.459 19.000 0.170 0.000 1.288 103 A HN 0.917 nan 8.150 nan 0.000 0.396 104 G N -0.090 108.826 108.800 0.192 0.000 2.403 104 G HA2 0.534 4.494 3.960 0.000 0.000 0.223 104 G HA3 0.534 4.494 3.960 0.000 0.000 0.223 104 G C -0.686 174.114 174.900 -0.168 0.000 1.287 104 G CA 0.218 45.262 45.100 -0.094 0.000 0.982 104 G HN 1.293 nan 8.290 nan 0.000 0.471 105 T N 1.059 115.325 114.554 -0.481 0.000 2.794 105 T HA 0.759 5.109 4.350 0.000 0.000 0.280 105 T C -0.817 173.481 174.700 -0.671 0.000 0.987 105 T CA 0.161 62.054 62.100 -0.345 0.000 0.993 105 T CB 0.916 69.634 68.868 -0.249 0.000 0.939 105 T HN 0.420 nan 8.240 nan 0.000 0.449 106 F N 0.642 120.545 119.950 -0.078 0.000 2.980 106 F HA 0.820 5.347 4.527 0.000 0.000 0.335 106 F C -1.027 174.942 175.800 0.281 0.000 1.210 106 F CA -1.095 56.869 58.000 -0.061 0.000 0.986 106 F CB 1.534 40.251 39.000 -0.472 0.000 1.469 106 F HN 0.642 nan 8.300 nan 0.000 0.519 107 W N 0.362 121.800 121.300 0.229 0.000 3.057 107 W HA 0.540 5.200 4.660 0.000 0.000 0.328 107 W C -2.626 174.086 176.519 0.321 0.000 1.232 107 W CA -1.811 55.685 57.345 0.252 0.000 1.187 107 W CB 0.085 29.541 29.460 -0.007 0.000 1.417 107 W HN 0.617 nan 8.180 nan 0.000 0.569 108 Y N 0.367 120.826 120.300 0.266 0.000 2.570 108 Y HA 0.841 5.391 4.550 0.000 0.000 0.345 108 Y C -0.706 175.099 175.900 -0.159 0.000 1.014 108 Y CA -1.284 56.717 58.100 -0.165 0.000 1.063 108 Y CB 1.717 40.188 38.460 0.019 0.000 1.272 108 Y HN 0.755 nan 8.280 nan 0.000 0.477 109 H N -1.604 117.240 119.070 -0.377 0.000 3.043 109 H HA 0.426 4.982 4.556 0.000 0.000 0.317 109 H C -1.232 173.992 175.328 -0.173 0.000 1.321 109 H CA -0.856 55.006 56.048 -0.310 0.000 1.243 109 H CB 0.637 30.019 29.762 -0.634 0.000 1.924 109 H HN 0.826 nan 8.280 nan 0.000 0.527 110 S N 0.501 116.294 115.700 0.154 0.000 2.563 110 S HA -0.030 4.440 4.470 0.000 0.000 0.284 110 S C -0.006 174.732 174.600 0.230 0.000 1.331 110 S CA -0.088 58.204 58.200 0.154 0.000 1.047 110 S CB -0.019 63.312 63.200 0.217 0.000 0.859 110 S HN 0.830 nan 8.310 nan 0.000 0.514 111 H N 3.827 122.940 119.070 0.072 0.000 2.528 111 H HA 0.388 4.944 4.556 0.000 0.000 0.256 111 H C -1.053 174.322 175.328 0.077 0.000 1.204 111 H CA -0.395 55.715 56.048 0.102 0.000 0.955 111 H CB 0.153 29.916 29.762 0.002 0.000 1.817 111 H HN 0.466 nan 8.280 nan 0.000 0.579 112 L N 1.098 122.426 121.223 0.175 0.000 2.345 112 L HA 0.344 4.684 4.340 0.000 0.000 0.274 112 L C 0.441 177.386 176.870 0.124 0.000 0.999 112 L CA 0.362 55.288 54.840 0.142 0.000 0.849 112 L CB 1.007 43.122 42.059 0.093 0.000 1.220 112 L HN 0.321 nan 8.230 nan 0.000 0.422 113 S N 2.995 118.777 115.700 0.136 0.000 3.118 113 S HA -0.295 4.175 4.470 0.000 0.000 0.631 113 S C 1.026 175.604 174.600 -0.037 0.000 2.944 113 S CA 1.693 59.934 58.200 0.068 0.000 3.398 113 S CB -1.327 61.918 63.200 0.074 0.000 0.312 113 S HN 1.472 nan 8.310 nan 0.000 1.625 114 T N 0.221 114.716 114.554 -0.097 0.000 3.272 114 T HA 0.257 4.607 4.350 0.000 0.000 0.250 114 T C 1.500 176.085 174.700 -0.191 0.000 1.082 114 T CA 1.097 63.043 62.100 -0.257 0.000 0.968 114 T CB -0.057 68.643 68.868 -0.281 0.000 1.015 114 T HN 0.679 nan 8.240 nan 0.000 0.563 115 Q N 0.980 120.757 119.800 -0.039 0.000 2.197 115 Q HA -0.242 4.098 4.340 0.000 0.000 0.207 115 Q C 1.905 177.981 176.000 0.125 0.000 0.984 115 Q CA 1.788 57.622 55.803 0.051 0.000 0.869 115 Q CB -0.470 28.331 28.738 0.104 0.000 0.906 115 Q HN 0.905 nan 8.270 nan 0.000 0.426 116 Y N -1.264 119.071 120.300 0.059 0.000 2.497 116 Y HA -0.054 4.496 4.550 0.000 0.000 0.292 116 Y C 1.768 177.744 175.900 0.127 0.000 1.137 116 Y CA 0.529 58.700 58.100 0.117 0.000 1.285 116 Y CB -0.914 37.629 38.460 0.138 0.000 0.991 116 Y HN 0.184 nan 8.280 nan 0.000 0.556 117 c N 0.705 119.204 118.600 -0.168 0.000 2.450 117 c HA -0.094 4.476 4.570 0.000 0.000 0.279 117 c C 1.867 176.026 174.090 0.115 0.000 1.335 117 c CA 0.874 57.150 56.329 -0.089 0.000 1.749 117 c CB -0.805 41.502 42.510 -0.339 0.000 1.963 117 c HN 0.524 nan 8.230 nan 0.000 0.501 118 D N -0.090 120.367 120.400 0.095 0.000 2.363 118 D HA 0.186 4.826 4.640 0.000 0.000 0.226 118 D C 1.730 178.240 176.300 0.350 0.000 1.020 118 D CA 1.275 55.361 54.000 0.143 0.000 0.892 118 D CB 0.046 40.902 40.800 0.093 0.000 0.900 118 D HN 0.690 nan 8.370 nan 0.000 0.531 119 G N 0.167 109.224 108.800 0.429 0.000 2.705 119 G HA2 -0.208 3.752 3.960 0.000 0.000 0.193 119 G HA3 -0.208 3.752 3.960 0.000 0.000 0.193 119 G C 0.068 175.152 174.900 0.306 0.000 1.015 119 G CA -0.408 44.955 45.100 0.438 0.000 0.743 119 G HN 0.224 nan 8.290 nan 0.000 0.476 120 L N 3.497 124.894 121.223 0.290 0.000 2.415 120 L HA 0.690 5.030 4.340 0.000 0.000 0.269 120 L C 0.642 177.653 176.870 0.233 0.000 1.244 120 L CA -0.318 54.674 54.840 0.254 0.000 1.113 120 L CB -1.481 40.723 42.059 0.241 0.000 1.352 120 L HN 0.530 nan 8.230 nan 0.000 0.433 121 R N 2.480 123.056 120.500 0.127 0.000 2.604 121 R HA 0.854 5.194 4.340 0.000 0.000 0.261 121 R C -0.831 175.302 176.300 -0.277 0.000 1.080 121 R CA -0.826 55.269 56.100 -0.008 0.000 0.917 121 R CB 1.070 31.526 30.300 0.260 0.000 1.252 121 R HN 0.439 nan 8.270 nan 0.000 0.456 122 G N 1.554 109.914 108.800 -0.733 0.000 2.673 122 G HA2 0.596 4.556 3.960 0.000 0.000 0.292 122 G HA3 0.596 4.556 3.960 0.000 0.000 0.292 122 G C -3.175 171.624 174.900 -0.168 0.000 1.450 122 G CA -1.387 43.377 45.100 -0.560 0.000 0.837 122 G HN 0.404 nan 8.290 nan 0.000 0.505 123 P HA 0.482 nan 4.420 nan 0.000 0.279 123 P C -1.553 176.052 177.300 0.508 0.000 1.239 123 P CA -0.368 62.905 63.100 0.288 0.000 0.789 123 P CB 1.595 33.375 31.700 0.133 0.000 0.933 124 F N 3.383 123.560 119.950 0.378 0.000 2.539 124 F HA 0.386 4.913 4.527 0.000 0.000 0.328 124 F C -1.325 174.645 175.800 0.284 0.000 1.148 124 F CA -1.034 57.190 58.000 0.372 0.000 0.940 124 F CB 1.438 40.735 39.000 0.495 0.000 1.194 124 F HN -0.010 nan 8.300 nan 0.000 0.438 125 V N 6.283 126.485 119.914 0.480 0.000 2.540 125 V HA 0.546 4.666 4.120 0.000 0.000 0.302 125 V C -0.887 175.274 176.094 0.111 0.000 1.035 125 V CA -0.887 61.541 62.300 0.212 0.000 0.873 125 V CB 1.875 33.589 31.823 -0.182 0.000 0.992 125 V HN 0.478 nan 8.190 nan 0.000 0.428 126 V N 5.487 125.508 119.914 0.179 0.000 2.326 126 V HA 0.424 4.544 4.120 0.000 0.000 0.281 126 V C -0.679 175.442 176.094 0.045 0.000 1.015 126 V CA -0.764 61.652 62.300 0.193 0.000 0.823 126 V CB 0.897 32.916 31.823 0.327 0.000 1.009 126 V HN 0.714 nan 8.190 nan 0.000 0.436 127 Y N 1.989 122.430 120.300 0.236 0.000 2.314 127 Y HA 0.393 4.943 4.550 0.000 0.000 0.334 127 Y C 0.640 176.629 175.900 0.148 0.000 1.266 127 Y CA -0.419 57.780 58.100 0.165 0.000 1.391 127 Y CB 0.571 39.104 38.460 0.122 0.000 1.306 127 Y HN 0.528 nan 8.280 nan 0.000 0.558 128 D N 2.232 122.810 120.400 0.297 0.000 2.414 128 D HA 0.300 4.940 4.640 0.000 0.000 0.232 128 D C -2.097 174.297 176.300 0.157 0.000 1.070 128 D CA -2.518 51.598 54.000 0.194 0.000 0.839 128 D CB 1.664 42.559 40.800 0.157 0.000 1.079 128 D HN 0.180 nan 8.370 nan 0.000 0.521 129 P HA -0.096 nan 4.420 nan 0.000 0.218 129 P C 0.193 177.524 177.300 0.050 0.000 1.146 129 P CA 0.951 64.095 63.100 0.074 0.000 0.813 129 P CB 0.162 31.895 31.700 0.056 0.000 0.778 130 N N -1.673 117.061 118.700 0.056 0.000 2.598 130 N HA 0.025 4.765 4.740 0.000 0.000 0.309 130 N C -0.662 174.873 175.510 0.043 0.000 1.645 130 N CA -0.213 52.858 53.050 0.035 0.000 0.936 130 N CB -0.406 38.098 38.487 0.028 0.000 1.323 130 N HN -0.053 nan 8.380 nan 0.000 0.497 131 D N 1.916 122.353 120.400 0.062 0.000 2.531 131 D HA 0.031 4.671 4.640 0.000 0.000 0.239 131 D C -1.193 175.128 176.300 0.036 0.000 1.144 131 D CA -0.942 53.104 54.000 0.078 0.000 0.869 131 D CB 1.701 42.584 40.800 0.138 0.000 1.160 131 D HN 0.140 nan 8.370 nan 0.000 0.484 132 P HA -0.092 nan 4.420 nan 0.000 0.216 132 P C 0.458 177.761 177.300 0.006 0.000 1.150 132 P CA 1.078 64.192 63.100 0.023 0.000 0.837 132 P CB 0.239 31.962 31.700 0.037 0.000 0.786 133 A N -1.005 121.835 122.820 0.033 0.000 2.337 133 A HA 0.455 4.775 4.320 0.000 0.000 0.227 133 A C 1.977 179.452 177.584 -0.181 0.000 1.259 133 A CA 0.570 52.619 52.037 0.021 0.000 0.870 133 A CB -0.981 18.109 19.000 0.150 0.000 0.927 133 A HN 0.126 nan 8.150 nan 0.000 0.497 134 A N 0.504 123.172 122.820 -0.253 0.000 1.940 134 A HA -0.189 4.131 4.320 0.000 0.000 0.219 134 A C 1.541 178.733 177.584 -0.654 0.000 1.176 134 A CA 1.764 53.462 52.037 -0.564 0.000 0.631 134 A CB -0.358 18.494 19.000 -0.246 0.000 0.814 134 A HN 0.429 nan 8.150 nan 0.000 0.446 135 D N -0.309 119.886 120.400 -0.341 0.000 2.378 135 D HA -0.011 4.629 4.640 0.000 0.000 0.222 135 D C 1.426 177.589 176.300 -0.228 0.000 0.980 135 D CA 0.551 54.404 54.000 -0.245 0.000 0.907 135 D CB -0.072 40.648 40.800 -0.133 0.000 0.899 135 D HN 0.483 nan 8.370 nan 0.000 0.527 136 L N -0.295 120.764 121.223 -0.274 0.000 2.591 136 L HA 0.047 4.387 4.340 0.000 0.000 0.228 136 L C -0.081 176.786 176.870 -0.006 0.000 1.133 136 L CA 0.029 54.816 54.840 -0.088 0.000 0.880 136 L CB -0.100 41.987 42.059 0.046 0.000 1.033 136 L HN 0.037 nan 8.230 nan 0.000 0.450 137 Y N -5.106 115.156 120.300 -0.064 0.000 2.609 137 Y HA 0.406 4.956 4.550 0.000 0.000 0.336 137 Y C -0.091 175.713 175.900 -0.160 0.000 1.129 137 Y CA -1.490 56.539 58.100 -0.117 0.000 1.040 137 Y CB 0.491 38.873 38.460 -0.129 0.000 1.310 137 Y HN -0.204 nan 8.280 nan 0.000 0.460 138 D N 0.719 121.103 120.400 -0.028 0.000 2.323 138 D HA 0.149 4.789 4.640 0.000 0.000 0.218 138 D C -0.278 175.928 176.300 -0.156 0.000 0.973 138 D CA 0.990 54.908 54.000 -0.137 0.000 0.890 138 D CB 1.174 41.837 40.800 -0.228 0.000 1.011 138 D HN 0.267 nan 8.370 nan 0.000 0.499 139 V N 1.243 120.980 119.914 -0.295 0.000 2.540 139 V HA 0.400 4.520 4.120 0.000 0.000 0.302 139 V C -1.028 174.937 176.094 -0.215 0.000 1.035 139 V CA -0.715 61.414 62.300 -0.284 0.000 0.873 139 V CB 2.290 33.822 31.823 -0.485 0.000 0.992 139 V HN -0.070 nan 8.190 nan 0.000 0.428 140 D N 3.178 123.501 120.400 -0.128 0.000 2.445 140 D HA 0.360 5.000 4.640 0.000 0.000 0.236 140 D C -0.600 175.657 176.300 -0.071 0.000 1.315 140 D CA -0.269 53.650 54.000 -0.136 0.000 0.924 140 D CB 0.766 41.479 40.800 -0.145 0.000 1.447 140 D HN 0.711 nan 8.370 nan 0.000 0.532 141 N N 0.755 119.446 118.700 -0.014 0.000 3.600 141 N HA 0.334 5.074 4.740 0.000 0.000 0.348 141 N C 0.309 175.883 175.510 0.107 0.000 1.649 141 N CA -0.515 52.546 53.050 0.018 0.000 0.710 141 N CB 0.091 38.566 38.487 -0.022 0.000 2.380 141 N HN -0.189 nan 8.380 nan 0.000 0.631 142 D N -0.677 119.779 120.400 0.094 0.000 2.218 142 D HA -0.055 4.585 4.640 0.000 0.000 0.204 142 D C 0.047 176.398 176.300 0.086 0.000 0.976 142 D CA 1.127 55.187 54.000 0.099 0.000 0.853 142 D CB -0.212 40.633 40.800 0.075 0.000 0.939 142 D HN 0.452 nan 8.370 nan 0.000 0.481 143 D N -0.896 119.553 120.400 0.082 0.000 2.339 143 D HA -0.007 4.633 4.640 0.000 0.000 0.217 143 D C 1.284 177.678 176.300 0.157 0.000 1.050 143 D CA 0.505 54.563 54.000 0.097 0.000 0.856 143 D CB 0.269 41.121 40.800 0.087 0.000 0.922 143 D HN 0.285 nan 8.370 nan 0.000 0.518 144 T N -2.332 112.305 114.554 0.139 0.000 3.134 144 T HA 0.213 4.563 4.350 0.000 0.000 0.260 144 T C 0.563 175.390 174.700 0.212 0.000 1.027 144 T CA -0.298 61.928 62.100 0.210 0.000 0.913 144 T CB 0.190 68.963 68.868 -0.159 0.000 1.046 144 T HN -0.259 nan 8.240 nan 0.000 0.553 145 V N 2.595 122.579 119.914 0.118 0.000 2.432 145 V HA 0.476 4.596 4.120 0.000 0.000 0.275 145 V C -0.050 176.054 176.094 0.017 0.000 1.043 145 V CA -0.762 61.567 62.300 0.049 0.000 0.925 145 V CB 0.990 32.842 31.823 0.048 0.000 0.985 145 V HN 0.484 nan 8.190 nan 0.000 0.466 146 I N 4.831 125.370 120.570 -0.052 0.000 2.410 146 I HA 0.390 4.560 4.170 0.000 0.000 0.286 146 I C 0.202 176.221 176.117 -0.163 0.000 1.009 146 I CA -0.326 60.911 61.300 -0.105 0.000 1.111 146 I CB 2.083 39.990 38.000 -0.154 0.000 1.262 146 I HN 0.674 nan 8.210 nan 0.000 0.443 147 T N 4.958 119.423 114.554 -0.148 0.000 2.859 147 T HA 0.732 5.082 4.350 0.000 0.000 0.281 147 T C -0.536 174.028 174.700 -0.227 0.000 1.005 147 T CA -0.749 61.232 62.100 -0.198 0.000 1.025 147 T CB 1.641 70.417 68.868 -0.154 0.000 0.977 147 T HN 0.338 nan 8.240 nan 0.000 0.458 148 L N 2.900 123.945 121.223 -0.296 0.000 2.333 148 L HA 0.751 5.091 4.340 0.000 0.000 0.280 148 L C -0.813 175.901 176.870 -0.260 0.000 1.004 148 L CA -1.196 53.428 54.840 -0.360 0.000 0.820 148 L CB 1.979 43.735 42.059 -0.505 0.000 1.247 148 L HN 0.492 nan 8.230 nan 0.000 0.416 149 V N 1.511 121.313 119.914 -0.187 0.000 2.709 149 V HA 0.286 4.406 4.120 0.000 0.000 0.308 149 V C -0.983 175.180 176.094 0.115 0.000 1.062 149 V CA -0.806 61.499 62.300 0.008 0.000 0.901 149 V CB 2.500 34.349 31.823 0.043 0.000 1.003 149 V HN 0.767 nan 8.190 nan 0.000 0.425 150 D N 2.719 123.253 120.400 0.223 0.000 2.456 150 D HA 0.064 4.704 4.640 0.000 0.000 0.219 150 D C -0.468 175.861 176.300 0.048 0.000 1.126 150 D CA -0.361 53.712 54.000 0.122 0.000 0.890 150 D CB 0.829 41.697 40.800 0.114 0.000 1.025 150 D HN 0.612 nan 8.370 nan 0.000 0.511 151 W N 3.659 124.832 121.300 -0.212 0.000 2.338 151 W HA 0.279 4.939 4.660 0.000 0.000 0.307 151 W C -1.306 175.024 176.519 -0.316 0.000 1.167 151 W CA -0.710 56.559 57.345 -0.126 0.000 1.208 151 W CB 0.895 30.363 29.460 0.013 0.000 1.228 151 W HN 0.259 nan 8.180 nan 0.000 0.499 152 Y N 3.041 122.987 120.300 -0.589 0.000 2.420 152 Y HA 0.177 4.727 4.550 0.000 0.000 0.334 152 Y C 1.302 176.948 175.900 -0.424 0.000 1.094 152 Y CA -0.543 57.303 58.100 -0.423 0.000 1.126 152 Y CB 1.327 39.624 38.460 -0.272 0.000 1.217 152 Y HN 0.437 nan 8.280 nan 0.000 0.462 153 H N 0.232 119.219 119.070 -0.138 0.000 2.482 153 H HA 0.147 4.703 4.556 0.000 0.000 0.286 153 H C -0.312 175.057 175.328 0.068 0.000 1.017 153 H CA 0.145 56.170 56.048 -0.038 0.000 1.322 153 H CB 0.533 30.054 29.762 -0.403 0.000 1.426 153 H HN 0.192 nan 8.280 nan 0.000 0.546 154 V N 1.504 121.493 119.914 0.124 0.000 2.472 154 V HA 0.377 4.497 4.120 0.000 0.000 0.290 154 V C 0.327 176.424 176.094 0.004 0.000 1.037 154 V CA -0.846 61.498 62.300 0.074 0.000 0.908 154 V CB 1.409 33.252 31.823 0.035 0.000 0.985 154 V HN 0.302 nan 8.190 nan 0.000 0.454 155 A N 3.556 126.378 122.820 0.003 0.000 2.507 155 A HA 0.500 4.820 4.320 0.000 0.000 0.235 155 A C 1.651 179.199 177.584 -0.059 0.000 1.070 155 A CA 0.543 52.563 52.037 -0.029 0.000 0.768 155 A CB 0.059 19.059 19.000 0.000 0.000 1.011 155 A HN 1.404 nan 8.150 nan 0.000 0.502 156 A N 1.246 124.026 122.820 -0.068 0.000 1.892 156 A HA -0.168 4.152 4.320 0.000 0.000 0.218 156 A C 1.890 179.459 177.584 -0.024 0.000 1.188 156 A CA 2.030 54.041 52.037 -0.044 0.000 0.631 156 A CB -0.448 18.517 19.000 -0.059 0.000 0.822 156 A HN 0.829 nan 8.150 nan 0.000 0.447 157 K N -0.748 119.632 120.400 -0.033 0.000 2.459 157 K HA 0.233 4.553 4.320 0.000 0.000 0.193 157 K C 1.269 177.846 176.600 -0.039 0.000 1.030 157 K CA 0.355 56.621 56.287 -0.036 0.000 1.026 157 K CB -0.048 32.426 32.500 -0.043 0.000 0.809 157 K HN 0.470 nan 8.250 nan 0.000 0.504 158 L N -0.460 120.741 121.223 -0.037 0.000 2.463 158 L HA 0.119 4.459 4.340 0.000 0.000 0.219 158 L C 1.467 178.310 176.870 -0.044 0.000 1.088 158 L CA -0.143 54.680 54.840 -0.029 0.000 0.849 158 L CB 0.055 42.109 42.059 -0.007 0.000 1.012 158 L HN 0.105 nan 8.230 nan 0.000 0.468 159 G N 0.021 108.779 108.800 -0.071 0.000 2.509 159 G HA2 0.374 4.334 3.960 0.000 0.000 0.269 159 G HA3 0.374 4.334 3.960 0.000 0.000 0.269 159 G C -2.410 172.413 174.900 -0.129 0.000 1.416 159 G CA -0.686 44.357 45.100 -0.095 0.000 1.052 159 G HN -0.061 nan 8.290 nan 0.000 0.542 160 P HA 0.301 nan 4.420 nan 0.000 0.272 160 P C 0.604 177.735 177.300 -0.282 0.000 1.230 160 P CA 0.257 63.249 63.100 -0.180 0.000 0.788 160 P CB 1.091 32.701 31.700 -0.149 0.000 0.949 161 A N 1.180 123.799 122.820 -0.335 0.000 1.969 161 A HA -0.045 4.275 4.320 0.000 0.000 0.218 161 A C 0.387 177.515 177.584 -0.760 0.000 1.169 161 A CA 1.393 53.096 52.037 -0.556 0.000 0.635 161 A CB -0.799 17.752 19.000 -0.748 0.000 0.810 161 A HN 0.488 nan 8.150 nan 0.000 0.445 162 F N -1.210 118.650 119.950 -0.150 0.000 2.691 162 F HA 0.390 4.917 4.527 0.000 0.000 0.371 162 F C -1.888 173.731 175.800 -0.301 0.000 1.159 162 F CA -2.688 55.186 58.000 -0.210 0.000 1.174 162 F CB 0.888 39.868 39.000 -0.032 0.000 1.419 162 F HN -0.034 nan 8.300 nan 0.000 0.514 163 P HA -0.254 nan 4.420 nan 0.000 0.219 163 P C 0.790 178.079 177.300 -0.019 0.000 1.158 163 P CA 1.458 64.407 63.100 -0.250 0.000 0.895 163 P CB 0.248 31.698 31.700 -0.416 0.000 0.792 164 L N -3.372 117.880 121.223 0.047 0.000 3.598 164 L HA -0.114 4.226 4.340 0.000 0.000 0.422 164 L C 0.111 177.187 176.870 0.344 0.000 1.262 164 L CA 1.140 55.978 54.840 -0.003 0.000 0.889 164 L CB -1.697 40.304 42.059 -0.096 0.000 1.857 164 L HN 0.396 nan 8.230 nan 0.000 0.858 165 G N -1.261 107.906 108.800 0.612 0.000 2.462 165 G HA2 0.604 4.565 3.960 0.000 0.000 0.424 165 G HA3 0.604 4.565 3.960 0.000 0.000 0.424 165 G C -0.494 174.464 174.900 0.097 0.000 1.573 165 G CA -0.397 44.892 45.100 0.315 0.000 0.913 165 G HN 1.397 nan 8.290 nan 0.000 0.672 166 A N 1.220 123.933 122.820 -0.178 0.000 2.293 166 A HA 0.745 5.065 4.320 0.000 0.000 0.302 166 A C 1.038 178.398 177.584 -0.373 0.000 1.119 166 A CA 0.006 51.713 52.037 -0.551 0.000 0.823 166 A CB 0.680 19.263 19.000 -0.696 0.000 1.097 166 A HN 0.614 nan 8.150 nan 0.000 0.491 167 D N 0.325 120.454 120.400 -0.452 0.000 2.264 167 D HA 0.208 4.848 4.640 0.000 0.000 0.208 167 D C 0.589 176.726 176.300 -0.272 0.000 0.966 167 D CA 1.924 55.660 54.000 -0.441 0.000 0.864 167 D CB 0.169 40.416 40.800 -0.921 0.000 0.933 167 D HN 0.739 nan 8.370 nan 0.000 0.499 168 A N -0.470 122.245 122.820 -0.175 0.000 2.594 168 A HA 0.448 4.768 4.320 0.000 0.000 0.296 168 A C -0.735 176.849 177.584 0.001 0.000 1.056 168 A CA -0.660 51.352 52.037 -0.041 0.000 0.693 168 A CB 1.254 20.300 19.000 0.076 0.000 1.278 168 A HN -0.115 nan 8.150 nan 0.000 0.408 169 T N 2.076 116.625 114.554 -0.009 0.000 2.806 169 T HA 0.538 4.888 4.350 0.000 0.000 0.290 169 T C -0.596 174.075 174.700 -0.048 0.000 0.966 169 T CA -0.033 62.053 62.100 -0.023 0.000 1.060 169 T CB 0.420 69.253 68.868 -0.058 0.000 0.927 169 T HN 0.371 nan 8.240 nan 0.000 0.485 170 L N 4.229 125.410 121.223 -0.069 0.000 2.287 170 L HA 0.535 4.875 4.340 0.000 0.000 0.287 170 L C -0.264 176.525 176.870 -0.137 0.000 1.022 170 L CA -0.318 54.470 54.840 -0.086 0.000 0.814 170 L CB 1.077 43.079 42.059 -0.094 0.000 1.217 170 L HN 0.614 nan 8.230 nan 0.000 0.420 171 I N 4.416 124.924 120.570 -0.104 0.000 2.355 171 I HA 0.295 4.465 4.170 0.000 0.000 0.288 171 I C 0.067 176.140 176.117 -0.073 0.000 0.999 171 I CA -0.704 60.539 61.300 -0.096 0.000 1.163 171 I CB 0.947 38.922 38.000 -0.042 0.000 1.316 171 I HN 0.563 nan 8.210 nan 0.000 0.454 172 N N 5.184 123.833 118.700 -0.085 0.000 2.727 172 N HA -0.199 4.541 4.740 0.000 0.000 0.249 172 N C 0.915 176.385 175.510 -0.067 0.000 1.048 172 N CA 1.356 54.367 53.050 -0.064 0.000 0.714 172 N CB -0.896 37.567 38.487 -0.040 0.000 0.959 172 N HN 1.147 nan 8.380 nan 0.000 0.544 173 G N -1.922 106.820 108.800 -0.096 0.000 2.234 173 G HA2 -0.362 3.598 3.960 0.000 0.000 0.260 173 G HA3 -0.362 3.598 3.960 0.000 0.000 0.260 173 G C 0.110 174.933 174.900 -0.130 0.000 0.987 173 G CA 1.009 46.034 45.100 -0.125 0.000 0.625 173 G HN 0.565 nan 8.290 nan 0.000 0.532 174 K N -0.135 120.215 120.400 -0.085 0.000 2.340 174 K HA 0.726 5.046 4.320 0.000 0.000 0.244 174 K C 0.231 176.810 176.600 -0.036 0.000 0.973 174 K CA -0.290 55.962 56.287 -0.059 0.000 0.828 174 K CB 2.288 34.771 32.500 -0.028 0.000 1.226 174 K HN 0.843 nan 8.250 nan 0.000 0.437 175 G N 0.689 109.484 108.800 -0.008 0.000 2.320 175 G HA2 0.331 4.291 3.960 0.000 0.000 0.296 175 G HA3 0.331 4.291 3.960 0.000 0.000 0.296 175 G C -1.738 173.187 174.900 0.042 0.000 1.306 175 G CA -0.914 44.194 45.100 0.012 0.000 0.836 175 G HN 0.428 nan 8.290 nan 0.000 0.517 176 R N -0.581 119.943 120.500 0.040 0.000 2.807 176 R HA 0.753 5.093 4.340 0.000 0.000 0.276 176 R C -0.188 176.139 176.300 0.045 0.000 0.979 176 R CA -0.620 55.513 56.100 0.056 0.000 0.928 176 R CB 2.183 32.508 30.300 0.042 0.000 1.191 176 R HN 0.816 nan 8.270 nan 0.000 0.471 177 S N 0.468 116.211 115.700 0.072 0.000 2.664 177 S HA 0.405 4.875 4.470 0.000 0.000 0.304 177 S C -2.131 172.479 174.600 0.016 0.000 1.099 177 S CA -1.472 56.748 58.200 0.034 0.000 1.003 177 S CB 2.089 65.347 63.200 0.097 0.000 1.092 177 S HN 0.280 nan 8.310 nan 0.000 0.525 178 P HA -0.027 nan 4.420 nan 0.000 0.222 178 P C 0.964 178.268 177.300 0.006 0.000 1.142 178 P CA 0.986 64.073 63.100 -0.022 0.000 0.788 178 P CB 0.103 31.776 31.700 -0.045 0.000 0.767 179 S N -2.496 113.222 115.700 0.031 0.000 2.540 179 S HA 0.096 4.566 4.470 0.000 0.000 0.218 179 S C 0.498 175.144 174.600 0.076 0.000 0.977 179 S CA 0.127 58.358 58.200 0.051 0.000 0.918 179 S CB -0.296 62.939 63.200 0.057 0.000 0.806 179 S HN -0.011 nan 8.310 nan 0.000 0.496 180 T N 1.384 115.988 114.554 0.083 0.000 3.839 180 T HA 0.123 4.473 4.350 0.000 0.000 0.230 180 T C 0.900 175.644 174.700 0.073 0.000 1.095 180 T CA -0.068 62.087 62.100 0.092 0.000 1.470 180 T CB 0.480 69.428 68.868 0.133 0.000 0.881 180 T HN 0.392 nan 8.240 nan 0.000 0.637 181 T N -1.520 113.067 114.554 0.055 0.000 3.155 181 T HA -0.088 4.262 4.350 0.000 0.000 0.264 181 T C 1.861 176.597 174.700 0.059 0.000 1.160 181 T CA 1.200 63.329 62.100 0.049 0.000 1.075 181 T CB -0.462 68.429 68.868 0.037 0.000 0.921 181 T HN 0.518 nan 8.240 nan 0.000 0.533 182 T N -1.464 113.125 114.554 0.058 0.000 3.092 182 T HA 0.629 4.979 4.350 0.000 0.000 0.258 182 T C 0.771 175.505 174.700 0.056 0.000 1.031 182 T CA -0.084 62.050 62.100 0.056 0.000 0.925 182 T CB -0.166 68.730 68.868 0.047 0.000 1.036 182 T HN 0.516 nan 8.240 nan 0.000 0.544 183 A N 1.804 124.662 122.820 0.062 0.000 2.462 183 A HA 0.397 4.717 4.320 0.000 0.000 0.243 183 A C -0.026 177.590 177.584 0.054 0.000 1.076 183 A CA -0.452 51.620 52.037 0.059 0.000 0.773 183 A CB -0.148 18.894 19.000 0.070 0.000 1.010 183 A HN 0.466 nan 8.150 nan 0.000 0.493 184 D N 0.963 121.387 120.400 0.041 0.000 2.488 184 D HA 0.299 4.939 4.640 0.000 0.000 0.238 184 D C 0.156 176.478 176.300 0.038 0.000 1.138 184 D CA 0.796 54.817 54.000 0.035 0.000 0.873 184 D CB 0.345 41.158 40.800 0.021 0.000 1.183 184 D HN 0.393 nan 8.370 nan 0.000 0.458 185 L N 0.963 122.216 121.223 0.048 0.000 2.358 185 L HA 0.337 4.677 4.340 0.000 0.000 0.268 185 L C 0.740 177.629 176.870 0.032 0.000 1.032 185 L CA -0.921 53.953 54.840 0.056 0.000 0.805 185 L CB 1.374 43.501 42.059 0.113 0.000 1.253 185 L HN 0.189 nan 8.230 nan 0.000 0.452 186 S N 0.411 116.125 115.700 0.023 0.000 2.580 186 S HA 0.403 4.873 4.470 0.000 0.000 0.274 186 S C -0.314 174.290 174.600 0.006 0.000 1.329 186 S CA -0.546 57.657 58.200 0.005 0.000 1.036 186 S CB 1.389 64.585 63.200 -0.008 0.000 0.919 186 S HN 0.279 nan 8.310 nan 0.000 0.515 187 V N 3.879 123.790 119.914 -0.005 0.000 2.487 187 V HA 0.461 4.581 4.120 0.000 0.000 0.298 187 V C -0.481 175.599 176.094 -0.023 0.000 1.028 187 V CA -0.519 61.772 62.300 -0.015 0.000 0.860 187 V CB 1.472 33.287 31.823 -0.014 0.000 0.991 187 V HN 0.736 nan 8.190 nan 0.000 0.427 188 I N 3.411 123.953 120.570 -0.047 0.000 2.355 188 I HA 0.390 4.560 4.170 0.000 0.000 0.288 188 I C 0.203 176.274 176.117 -0.077 0.000 0.999 188 I CA -0.049 61.213 61.300 -0.063 0.000 1.163 188 I CB 1.832 39.746 38.000 -0.144 0.000 1.316 188 I HN 0.521 nan 8.210 nan 0.000 0.454 189 S N 5.699 121.365 115.700 -0.056 0.000 2.554 189 S HA 0.632 5.102 4.470 0.000 0.000 0.278 189 S C -0.218 174.255 174.600 -0.211 0.000 1.242 189 S CA -0.664 57.485 58.200 -0.085 0.000 1.051 189 S CB 1.715 64.899 63.200 -0.027 0.000 0.986 189 S HN 0.474 nan 8.310 nan 0.000 0.502 190 V N 0.201 119.936 119.914 -0.298 0.000 2.925 190 V HA 0.906 5.026 4.120 0.000 0.000 0.311 190 V C -0.227 175.732 176.094 -0.225 0.000 1.104 190 V CA -0.970 61.020 62.300 -0.517 0.000 0.954 190 V CB 1.530 32.900 31.823 -0.756 0.000 1.022 190 V HN 0.846 nan 8.190 nan 0.000 0.427 191 T N 0.935 115.523 114.554 0.057 0.000 2.823 191 T HA 0.717 5.067 4.350 0.000 0.000 0.279 191 T C -2.803 171.932 174.700 0.057 0.000 0.998 191 T CA -2.330 59.806 62.100 0.060 0.000 0.994 191 T CB 1.520 70.456 68.868 0.113 0.000 0.960 191 T HN 0.683 nan 8.240 nan 0.000 0.448 192 P HA 0.193 nan 4.420 nan 0.000 0.263 192 P C 1.233 178.603 177.300 0.116 0.000 1.175 192 P CA 1.522 64.716 63.100 0.157 0.000 0.761 192 P CB 0.058 31.876 31.700 0.196 0.000 0.794 193 G N 1.747 110.623 108.800 0.126 0.000 2.212 193 G HA2 -0.281 3.679 3.960 0.000 0.000 0.266 193 G HA3 -0.281 3.679 3.960 0.000 0.000 0.266 193 G C 0.127 175.061 174.900 0.056 0.000 0.978 193 G CA 0.043 45.194 45.100 0.085 0.000 0.632 193 G HN 0.544 nan 8.290 nan 0.000 0.537 194 K N 0.377 120.818 120.400 0.069 0.000 2.110 194 K HA 0.577 4.897 4.320 0.000 0.000 0.263 194 K C 0.366 176.959 176.600 -0.013 0.000 0.975 194 K CA -0.671 55.593 56.287 -0.039 0.000 0.895 194 K CB 1.041 33.447 32.500 -0.157 0.000 1.060 194 K HN 0.212 nan 8.250 nan 0.000 0.448 195 R N 1.938 122.337 120.500 -0.169 0.000 2.407 195 R HA 0.330 4.670 4.340 0.000 0.000 0.303 195 R C -1.071 175.029 176.300 -0.332 0.000 0.981 195 R CA -0.600 55.463 56.100 -0.061 0.000 0.905 195 R CB 0.759 31.063 30.300 0.006 0.000 1.099 195 R HN 0.451 nan 8.270 nan 0.000 0.459 196 Y N 0.662 120.840 120.300 -0.203 0.000 2.425 196 Y HA 0.336 4.886 4.550 0.000 0.000 0.344 196 Y C 0.157 175.642 175.900 -0.693 0.000 0.969 196 Y CA -1.052 56.721 58.100 -0.545 0.000 1.052 196 Y CB 1.732 39.563 38.460 -1.048 0.000 1.215 196 Y HN 0.350 nan 8.280 nan 0.000 0.451 197 R N 3.722 123.819 120.500 -0.672 0.000 2.296 197 R HA 0.373 4.713 4.340 0.000 0.000 0.327 197 R C -1.631 174.253 176.300 -0.693 0.000 1.137 197 R CA -0.324 55.319 56.100 -0.762 0.000 1.020 197 R CB -0.221 29.317 30.300 -1.271 0.000 1.110 197 R HN 0.474 nan 8.270 nan 0.000 0.499 198 F N 2.918 122.525 119.950 -0.571 0.000 2.427 198 F HA 0.327 4.854 4.527 0.000 0.000 0.352 198 F C 0.765 176.181 175.800 -0.641 0.000 1.100 198 F CA -0.383 57.213 58.000 -0.674 0.000 1.191 198 F CB 1.167 39.533 39.000 -1.056 0.000 1.128 198 F HN 0.275 nan 8.300 nan 0.000 0.533 199 R N 3.651 124.044 120.500 -0.178 0.000 2.278 199 R HA 0.365 4.705 4.340 0.000 0.000 0.322 199 R C -1.225 174.982 176.300 -0.155 0.000 1.058 199 R CA -0.904 55.097 56.100 -0.165 0.000 0.991 199 R CB 0.890 31.122 30.300 -0.113 0.000 1.140 199 R HN 0.413 nan 8.270 nan 0.000 0.518 200 L N 4.498 125.626 121.223 -0.158 0.000 2.315 200 L HA 0.279 4.619 4.340 0.000 0.000 0.283 200 L C -0.812 175.919 176.870 -0.231 0.000 1.089 200 L CA -0.136 54.581 54.840 -0.205 0.000 0.833 200 L CB 1.298 43.252 42.059 -0.175 0.000 1.170 200 L HN 0.265 nan 8.230 nan 0.000 0.442 201 V N 3.429 123.167 119.914 -0.294 0.000 2.588 201 V HA 0.471 4.591 4.120 0.000 0.000 0.304 201 V C -0.048 175.745 176.094 -0.501 0.000 1.042 201 V CA -0.708 61.350 62.300 -0.403 0.000 0.877 201 V CB 1.553 33.142 31.823 -0.390 0.000 0.996 201 V HN 0.752 nan 8.190 nan 0.000 0.425 202 S N 4.555 119.893 115.700 -0.603 0.000 2.422 202 S HA 0.539 5.009 4.470 0.000 0.000 0.298 202 S C 0.290 174.259 174.600 -1.052 0.000 1.118 202 S CA -0.586 57.270 58.200 -0.573 0.000 1.083 202 S CB 0.269 63.262 63.200 -0.344 0.000 0.971 202 S HN 0.639 nan 8.310 nan 0.000 0.478 203 L N 4.007 124.709 121.223 -0.869 0.000 2.791 203 L HA 0.314 4.654 4.340 0.000 0.000 0.239 203 L C 1.112 177.799 176.870 -0.305 0.000 1.203 203 L CA -0.373 53.804 54.840 -1.105 0.000 1.002 203 L CB -0.087 41.656 42.059 -0.526 0.000 1.295 203 L HN 0.571 nan 8.230 nan 0.000 0.504 204 S N -0.976 114.620 115.700 -0.172 0.000 2.568 204 S HA 0.019 4.489 4.470 0.000 0.000 0.282 204 S C 1.158 175.940 174.600 0.303 0.000 1.338 204 S CA -0.490 57.788 58.200 0.130 0.000 1.045 204 S CB 1.089 64.364 63.200 0.125 0.000 0.873 204 S HN 0.382 nan 8.310 nan 0.000 0.516 205 c N 2.786 121.550 118.600 0.274 0.000 2.590 205 c HA 0.253 4.823 4.570 0.000 0.000 0.272 205 c C 1.729 175.879 174.090 0.100 0.000 1.338 205 c CA 0.226 56.587 56.329 0.054 0.000 1.746 205 c CB -0.707 41.638 42.510 -0.275 0.000 2.020 205 c HN 1.007 nan 8.230 nan 0.000 0.531 206 D N -1.521 119.009 120.400 0.215 0.000 2.548 206 D HA 0.131 4.771 4.640 0.000 0.000 0.223 206 D C -2.350 173.976 176.300 0.043 0.000 1.346 206 D CA 0.291 54.429 54.000 0.230 0.000 1.318 206 D CB -0.817 40.298 40.800 0.525 0.000 1.669 206 D HN 0.028 nan 8.370 nan 0.000 0.416 207 P HA 0.111 nan 4.420 nan 0.000 0.266 207 P C -0.465 176.474 177.300 -0.600 0.000 1.193 207 P CA 0.337 63.050 63.100 -0.644 0.000 0.770 207 P CB 0.212 31.334 31.700 -0.963 0.000 0.836 208 N N 1.674 120.005 118.700 -0.614 0.000 2.384 208 N HA 0.309 5.049 4.740 0.000 0.000 0.301 208 N C -1.289 173.788 175.510 -0.722 0.000 1.133 208 N CA -0.562 52.156 53.050 -0.555 0.000 0.853 208 N CB 1.278 39.437 38.487 -0.548 0.000 1.241 208 N HN 0.232 nan 8.380 nan 0.000 0.502 209 Y N -0.448 119.689 120.300 -0.272 0.000 2.446 209 Y HA 0.285 4.835 4.550 0.000 0.000 0.345 209 Y C 0.062 175.873 175.900 -0.147 0.000 0.984 209 Y CA -0.734 57.261 58.100 -0.174 0.000 1.058 209 Y CB 2.339 40.742 38.460 -0.095 0.000 1.220 209 Y HN 0.416 nan 8.280 nan 0.000 0.455 210 T N 4.517 119.112 114.554 0.068 0.000 2.811 210 T HA 0.240 4.590 4.350 0.000 0.000 0.309 210 T C -0.994 173.776 174.700 0.117 0.000 1.005 210 T CA -0.280 61.842 62.100 0.037 0.000 0.955 210 T CB -0.596 68.272 68.868 0.001 0.000 0.970 210 T HN 0.371 nan 8.240 nan 0.000 0.496 211 F N 4.068 123.983 119.950 -0.057 0.000 2.408 211 F HA 0.589 5.116 4.527 0.000 0.000 0.344 211 F C 0.408 176.126 175.800 -0.136 0.000 1.112 211 F CA -0.291 57.658 58.000 -0.084 0.000 1.096 211 F CB 0.773 39.712 39.000 -0.102 0.000 1.129 211 F HN 0.552 nan 8.300 nan 0.000 0.486 212 S N 5.755 121.006 115.700 -0.749 0.000 2.596 212 S HA 0.730 5.200 4.470 0.000 0.000 0.270 212 S C -1.303 172.894 174.600 -0.672 0.000 1.155 212 S CA -0.945 56.920 58.200 -0.559 0.000 0.827 212 S CB 1.591 64.621 63.200 -0.283 0.000 1.130 212 S HN 0.561 nan 8.310 nan 0.000 0.467 213 I N 1.751 122.078 120.570 -0.406 0.000 2.439 213 I HA 0.303 4.473 4.170 0.000 0.000 0.285 213 I C -1.123 174.958 176.117 -0.060 0.000 1.021 213 I CA -0.673 60.466 61.300 -0.268 0.000 1.091 213 I CB 1.713 39.553 38.000 -0.266 0.000 1.242 213 I HN 0.610 nan 8.210 nan 0.000 0.439 214 D N 5.159 125.573 120.400 0.023 0.000 2.583 214 D HA 0.125 4.765 4.640 0.000 0.000 0.232 214 D C 1.298 177.765 176.300 0.278 0.000 1.128 214 D CA 1.511 55.594 54.000 0.138 0.000 0.859 214 D CB 0.761 41.682 40.800 0.202 0.000 1.169 214 D HN 0.927 nan 8.370 nan 0.000 0.481 215 G N 1.695 110.572 108.800 0.128 0.000 2.189 215 G HA2 -0.279 3.681 3.960 0.000 0.000 0.267 215 G HA3 -0.279 3.681 3.960 0.000 0.000 0.267 215 G C 0.053 174.774 174.900 -0.298 0.000 0.975 215 G CA 0.650 45.728 45.100 -0.037 0.000 0.644 215 G HN 0.685 nan 8.290 nan 0.000 0.537 216 H N -0.354 118.646 119.070 -0.117 0.000 2.690 216 H HA 0.649 5.205 4.556 0.000 0.000 0.368 216 H C 0.164 175.451 175.328 -0.068 0.000 1.150 216 H CA -0.831 55.162 56.048 -0.091 0.000 1.174 216 H CB 1.117 30.824 29.762 -0.092 0.000 1.684 216 H HN 0.132 nan 8.280 nan 0.000 0.538 217 N N 1.072 119.819 118.700 0.078 0.000 2.478 217 N HA 0.514 5.254 4.740 0.000 0.000 0.275 217 N C -0.843 174.701 175.510 0.056 0.000 1.221 217 N CA -0.412 52.656 53.050 0.031 0.000 0.979 217 N CB 1.152 39.655 38.487 0.027 0.000 1.202 217 N HN 0.480 nan 8.380 nan 0.000 0.564 218 M N 0.438 120.044 119.600 0.010 0.000 2.271 218 M HA 0.216 4.696 4.480 0.000 0.000 0.285 218 M C -1.094 175.262 176.300 0.094 0.000 1.059 218 M CA -0.550 54.774 55.300 0.040 0.000 0.940 218 M CB 2.169 34.570 32.600 -0.331 0.000 1.636 218 M HN 0.145 nan 8.290 nan 0.000 0.460 219 T N 4.152 118.828 114.554 0.202 0.000 2.781 219 T HA 0.507 4.857 4.350 0.000 0.000 0.305 219 T C 0.212 175.033 174.700 0.201 0.000 1.001 219 T CA -0.386 61.811 62.100 0.162 0.000 0.950 219 T CB 0.059 69.016 68.868 0.149 0.000 0.955 219 T HN 0.466 nan 8.240 nan 0.000 0.471 220 I N 4.759 125.418 120.570 0.149 0.000 2.598 220 I HA 0.143 4.313 4.170 0.000 0.000 0.284 220 I C 1.331 177.539 176.117 0.152 0.000 1.140 220 I CA 0.294 61.693 61.300 0.165 0.000 1.420 220 I CB 0.604 38.654 38.000 0.083 0.000 1.387 220 I HN 0.715 nan 8.210 nan 0.000 0.553 221 I N 2.026 122.690 120.570 0.157 0.000 4.338 221 I HA 0.458 4.628 4.170 0.000 0.000 0.329 221 I C 0.155 176.336 176.117 0.106 0.000 1.378 221 I CA -0.043 61.334 61.300 0.129 0.000 1.170 221 I CB 0.555 38.638 38.000 0.139 0.000 1.206 221 I HN 0.560 nan 8.210 nan 0.000 0.432 222 E N 1.817 122.086 120.200 0.115 0.000 2.381 222 E HA 0.310 4.660 4.350 0.000 0.000 0.286 222 E C -1.450 175.190 176.600 0.067 0.000 0.960 222 E CA -0.343 56.090 56.400 0.054 0.000 0.793 222 E CB 2.446 32.135 29.700 -0.017 0.000 1.225 222 E HN 0.156 nan 8.360 nan 0.000 0.420 223 T N 2.137 116.671 114.554 -0.033 0.000 2.937 223 T HA 0.335 4.685 4.350 0.000 0.000 0.297 223 T C -0.650 173.873 174.700 -0.296 0.000 0.991 223 T CA -0.336 61.645 62.100 -0.198 0.000 0.990 223 T CB 0.780 69.636 68.868 -0.020 0.000 0.991 223 T HN 0.500 nan 8.240 nan 0.000 0.440 224 D N 3.052 123.186 120.400 -0.444 0.000 2.686 224 D HA -0.169 4.471 4.640 0.000 0.000 0.235 224 D C 0.848 176.900 176.300 -0.413 0.000 1.160 224 D CA 1.756 55.512 54.000 -0.408 0.000 0.645 224 D CB -1.568 39.037 40.800 -0.324 0.000 1.039 224 D HN 0.903 nan 8.370 nan 0.000 0.423 225 S N -3.064 112.346 115.700 -0.484 0.000 2.857 225 S HA -0.267 4.203 4.470 0.000 0.000 0.268 225 S C 0.378 174.831 174.600 -0.245 0.000 1.297 225 S CA 0.753 58.636 58.200 -0.528 0.000 1.280 225 S CB -0.820 61.884 63.200 -0.827 0.000 1.562 225 S HN 0.462 nan 8.310 nan 0.000 0.661 226 I N 3.203 123.680 120.570 -0.154 0.000 2.336 226 I HA 0.324 4.494 4.170 0.000 0.000 0.292 226 I C 0.303 176.413 176.117 -0.013 0.000 0.991 226 I CA -0.675 60.596 61.300 -0.049 0.000 1.227 226 I CB 0.725 38.732 38.000 0.012 0.000 1.366 226 I HN 0.064 nan 8.210 nan 0.000 0.466 227 N N 4.603 123.309 118.700 0.011 0.000 2.412 227 N HA 0.089 4.829 4.740 0.000 0.000 0.258 227 N C -0.368 175.180 175.510 0.063 0.000 1.236 227 N CA 0.365 53.439 53.050 0.040 0.000 0.882 227 N CB 0.428 38.944 38.487 0.047 0.000 1.066 227 N HN 0.532 nan 8.380 nan 0.000 0.465 228 T N 0.334 114.937 114.554 0.080 0.000 2.885 228 T HA 0.565 4.915 4.350 0.000 0.000 0.285 228 T C 0.201 174.967 174.700 0.109 0.000 1.019 228 T CA -0.767 61.395 62.100 0.103 0.000 1.010 228 T CB 1.722 70.658 68.868 0.114 0.000 1.022 228 T HN 0.521 nan 8.240 nan 0.000 0.466 229 A N 3.656 126.551 122.820 0.125 0.000 2.511 229 A HA 0.435 4.755 4.320 0.000 0.000 0.242 229 A C -2.288 175.362 177.584 0.110 0.000 1.069 229 A CA -0.952 51.155 52.037 0.117 0.000 0.763 229 A CB -0.718 18.367 19.000 0.141 0.000 1.001 229 A HN 0.520 nan 8.150 nan 0.000 0.498 230 P HA 0.179 nan 4.420 nan 0.000 0.261 230 P C -0.851 176.502 177.300 0.088 0.000 1.183 230 P CA 0.390 63.547 63.100 0.095 0.000 0.761 230 P CB 0.304 32.055 31.700 0.084 0.000 0.785 231 L N 5.552 126.825 121.223 0.082 0.000 2.404 231 L HA 0.347 4.687 4.340 0.000 0.000 0.272 231 L C -1.040 175.858 176.870 0.048 0.000 0.980 231 L CA -0.640 54.237 54.840 0.061 0.000 0.836 231 L CB 1.929 44.017 42.059 0.048 0.000 1.238 231 L HN 0.005 nan 8.230 nan 0.000 0.408 232 V N 5.972 125.910 119.914 0.041 0.000 2.488 232 V HA 0.463 4.583 4.120 0.000 0.000 0.277 232 V C 0.097 176.193 176.094 0.003 0.000 1.046 232 V CA -0.149 62.170 62.300 0.032 0.000 0.986 232 V CB 1.261 33.104 31.823 0.033 0.000 0.989 232 V HN 0.584 nan 8.190 nan 0.000 0.475 233 V N 3.646 123.550 119.914 -0.018 0.000 2.962 233 V HA 0.389 4.509 4.120 0.000 0.000 0.313 233 V C 0.422 176.474 176.094 -0.070 0.000 1.099 233 V CA -0.324 61.943 62.300 -0.055 0.000 0.971 233 V CB 2.394 34.157 31.823 -0.099 0.000 1.028 233 V HN 0.879 nan 8.190 nan 0.000 0.430 234 D N 0.844 121.200 120.400 -0.072 0.000 2.259 234 D HA 0.139 4.779 4.640 0.000 0.000 0.216 234 D C 0.554 176.791 176.300 -0.104 0.000 0.961 234 D CA 1.333 55.289 54.000 -0.074 0.000 0.878 234 D CB 0.512 41.280 40.800 -0.054 0.000 1.009 234 D HN 0.687 nan 8.370 nan 0.000 0.490 235 S N -1.102 114.534 115.700 -0.107 0.000 2.570 235 S HA 0.613 5.083 4.470 0.000 0.000 0.270 235 S C -1.053 173.481 174.600 -0.111 0.000 1.149 235 S CA -0.980 57.154 58.200 -0.109 0.000 0.837 235 S CB 1.448 64.598 63.200 -0.084 0.000 1.124 235 S HN 0.020 nan 8.310 nan 0.000 0.465 236 I N 1.311 121.836 120.570 -0.076 0.000 2.466 236 I HA 0.416 4.586 4.170 0.000 0.000 0.289 236 I C -0.495 175.586 176.117 -0.061 0.000 1.026 236 I CA -0.433 60.792 61.300 -0.125 0.000 1.078 236 I CB 2.139 40.020 38.000 -0.197 0.000 1.249 236 I HN 0.756 nan 8.210 nan 0.000 0.429 237 Q N 6.934 126.676 119.800 -0.097 0.000 2.360 237 Q HA 0.522 4.862 4.340 0.000 0.000 0.254 237 Q C -1.311 174.573 176.000 -0.193 0.000 0.975 237 Q CA -0.397 55.306 55.803 -0.166 0.000 0.912 237 Q CB 1.598 30.221 28.738 -0.192 0.000 1.212 237 Q HN 0.669 nan 8.270 nan 0.000 0.452 238 I N 4.432 124.891 120.570 -0.185 0.000 2.378 238 I HA 0.395 4.565 4.170 0.000 0.000 0.291 238 I C -1.240 174.715 176.117 -0.270 0.000 0.992 238 I CA -0.815 60.450 61.300 -0.058 0.000 1.154 238 I CB 0.612 38.653 38.000 0.069 0.000 1.315 238 I HN 0.579 nan 8.210 nan 0.000 0.448 239 F N 5.576 125.530 119.950 0.007 0.000 2.380 239 F HA 0.568 5.095 4.527 0.000 0.000 0.319 239 F C 1.071 176.805 175.800 -0.110 0.000 1.113 239 F CA -0.524 57.449 58.000 -0.045 0.000 1.056 239 F CB 0.553 39.541 39.000 -0.020 0.000 1.289 239 F HN 0.466 nan 8.300 nan 0.000 0.515 240 A N 1.001 123.870 122.820 0.082 0.000 2.580 240 A HA 0.346 4.666 4.320 0.000 0.000 0.244 240 A C 1.004 178.423 177.584 -0.274 0.000 1.045 240 A CA 0.486 52.481 52.037 -0.070 0.000 0.761 240 A CB -1.116 17.921 19.000 0.061 0.000 0.962 240 A HN 1.887 nan 8.150 nan 0.000 0.512 241 A N 1.400 123.912 122.820 -0.513 0.000 3.601 241 A HA -0.202 4.118 4.320 0.000 0.000 0.266 241 A C 0.704 177.965 177.584 -0.538 0.000 1.077 241 A CA 1.679 53.344 52.037 -0.620 0.000 1.228 241 A CB -2.401 16.067 19.000 -0.887 0.000 1.099 241 A HN 0.972 nan 8.150 nan 0.000 0.916 242 Q N -0.992 118.583 119.800 -0.375 0.000 2.471 242 Q HA 0.601 4.941 4.340 0.000 0.000 0.223 242 Q C 0.060 175.795 176.000 -0.441 0.000 1.045 242 Q CA 0.043 55.638 55.803 -0.348 0.000 0.956 242 Q CB 0.326 28.943 28.738 -0.201 0.000 1.249 242 Q HN 0.551 nan 8.270 nan 0.000 0.549 243 R N -0.172 120.014 120.500 -0.525 0.000 2.707 243 R HA 0.560 4.901 4.340 0.000 0.000 0.272 243 R C -1.754 174.183 176.300 -0.605 0.000 1.011 243 R CA -0.587 55.235 56.100 -0.464 0.000 0.893 243 R CB 1.331 31.381 30.300 -0.416 0.000 1.233 243 R HN 0.484 nan 8.270 nan 0.000 0.464 244 Y N -0.878 119.338 120.300 -0.140 0.000 2.442 244 Y HA 0.422 4.972 4.550 0.000 0.000 0.330 244 Y C -0.669 175.204 175.900 -0.045 0.000 1.100 244 Y CA -0.596 57.469 58.100 -0.058 0.000 1.034 244 Y CB 2.805 41.274 38.460 0.015 0.000 1.285 244 Y HN 0.466 nan 8.280 nan 0.000 0.440 245 S N 4.253 120.026 115.700 0.121 0.000 2.462 245 S HA 0.747 5.217 4.470 0.000 0.000 0.294 245 S C -1.174 173.496 174.600 0.115 0.000 1.144 245 S CA -0.581 57.614 58.200 -0.008 0.000 1.088 245 S CB 0.081 63.240 63.200 -0.068 0.000 1.009 245 S HN 0.438 nan 8.310 nan 0.000 0.484 246 F N 0.716 120.706 119.950 0.065 0.000 2.578 246 F HA 0.808 5.335 4.527 0.000 0.000 0.311 246 F C -1.058 174.804 175.800 0.104 0.000 1.094 246 F CA -1.343 56.710 58.000 0.088 0.000 0.923 246 F CB 0.511 39.568 39.000 0.094 0.000 1.230 246 F HN 0.190 nan 8.300 nan 0.000 0.450 247 V N 4.286 124.379 119.914 0.300 0.000 2.439 247 V HA 0.482 4.602 4.120 0.000 0.000 0.282 247 V C -0.417 175.904 176.094 0.378 0.000 1.039 247 V CA -0.658 61.767 62.300 0.207 0.000 0.913 247 V CB 1.415 33.347 31.823 0.182 0.000 0.983 247 V HN 0.893 nan 8.190 nan 0.000 0.460 248 L N 4.285 125.729 121.223 0.368 0.000 2.362 248 L HA 0.615 4.955 4.340 0.000 0.000 0.275 248 L C -0.260 176.814 176.870 0.341 0.000 0.998 248 L CA -0.320 54.786 54.840 0.445 0.000 0.820 248 L CB 1.868 44.338 42.059 0.684 0.000 1.270 248 L HN 0.642 nan 8.230 nan 0.000 0.415 249 E N 4.045 124.417 120.200 0.286 0.000 2.146 249 E HA 0.349 4.699 4.350 0.000 0.000 0.282 249 E C -0.324 176.438 176.600 0.271 0.000 0.989 249 E CA -0.599 55.943 56.400 0.237 0.000 0.799 249 E CB 1.729 31.527 29.700 0.163 0.000 1.088 249 E HN 0.707 nan 8.360 nan 0.000 0.397 250 A N 4.045 127.008 122.820 0.239 0.000 3.026 250 A HA 0.002 4.323 4.320 0.000 0.000 0.272 250 A C 0.475 178.246 177.584 0.313 0.000 1.782 250 A CA -0.256 51.880 52.037 0.165 0.000 1.451 250 A CB -0.951 17.941 19.000 -0.180 0.000 1.081 250 A HN 0.623 nan 8.150 nan 0.000 0.611 251 N N -0.503 118.374 118.700 0.295 0.000 2.205 251 N HA 0.042 4.782 4.740 0.000 0.000 0.201 251 N C 0.265 175.842 175.510 0.111 0.000 1.128 251 N CA -0.095 53.065 53.050 0.183 0.000 0.867 251 N CB 0.231 38.778 38.487 0.099 0.000 0.996 251 N HN 0.420 nan 8.380 nan 0.000 0.503 252 Q N 0.565 120.424 119.800 0.098 0.000 2.185 252 Q HA 0.541 4.881 4.340 0.000 0.000 0.225 252 Q C -0.151 175.743 176.000 -0.176 0.000 0.983 252 Q CA -0.696 55.020 55.803 -0.145 0.000 0.950 252 Q CB 0.836 29.287 28.738 -0.477 0.000 1.176 252 Q HN 0.313 nan 8.270 nan 0.000 0.510 253 A N 0.504 123.238 122.820 -0.143 0.000 2.498 253 A HA 0.177 4.497 4.320 0.000 0.000 0.239 253 A C 0.017 177.413 177.584 -0.314 0.000 1.068 253 A CA -0.353 51.606 52.037 -0.131 0.000 0.766 253 A CB 0.023 18.983 19.000 -0.068 0.000 1.003 253 A HN 0.424 nan 8.150 nan 0.000 0.497 254 V N 4.075 123.878 119.914 -0.185 0.000 2.509 254 V HA 0.191 4.311 4.120 0.000 0.000 0.297 254 V C 0.385 176.393 176.094 -0.144 0.000 1.014 254 V CA 1.092 63.319 62.300 -0.121 0.000 1.127 254 V CB -0.385 31.481 31.823 0.072 0.000 0.925 254 V HN 1.061 nan 8.190 nan 0.000 0.480 255 D N 3.346 123.661 120.400 -0.142 0.000 2.827 255 D HA 0.177 4.817 4.640 0.000 0.000 0.336 255 D C -1.341 174.869 176.300 -0.149 0.000 1.374 255 D CA -0.660 53.211 54.000 -0.214 0.000 0.794 255 D CB 1.282 41.803 40.800 -0.465 0.000 1.364 255 D HN 0.395 nan 8.370 nan 0.000 0.464 256 N N 0.639 119.126 118.700 -0.356 0.000 2.421 256 N HA 0.377 5.117 4.740 0.000 0.000 0.285 256 N C -1.094 174.098 175.510 -0.531 0.000 1.027 256 N CA -0.089 52.793 53.050 -0.281 0.000 0.918 256 N CB 1.103 39.395 38.487 -0.325 0.000 1.152 256 N HN 0.237 nan 8.380 nan 0.000 0.485 257 Y N -0.046 120.159 120.300 -0.158 0.000 2.409 257 Y HA 0.311 4.861 4.550 0.000 0.000 0.343 257 Y C -0.153 175.667 175.900 -0.133 0.000 0.973 257 Y CA -0.913 57.107 58.100 -0.135 0.000 1.064 257 Y CB 1.166 39.630 38.460 0.007 0.000 1.207 257 Y HN 0.418 nan 8.280 nan 0.000 0.452 258 W N 4.180 125.470 121.300 -0.017 0.000 2.253 258 W HA 0.426 5.087 4.660 0.000 0.000 0.322 258 W C -0.473 175.937 176.519 -0.183 0.000 1.342 258 W CA -0.146 57.127 57.345 -0.120 0.000 1.218 258 W CB 0.473 29.814 29.460 -0.200 0.000 1.205 258 W HN 0.253 nan 8.180 nan 0.000 0.551 259 I N 4.821 125.458 120.570 0.111 0.000 2.330 259 I HA 0.311 4.481 4.170 0.000 0.000 0.289 259 I C -0.049 175.942 176.117 -0.209 0.000 1.001 259 I CA -0.882 60.322 61.300 -0.160 0.000 1.193 259 I CB 0.755 38.687 38.000 -0.114 0.000 1.345 259 I HN 0.319 nan 8.210 nan 0.000 0.461 260 R N 5.236 125.495 120.500 -0.402 0.000 2.460 260 R HA 0.779 5.119 4.340 0.000 0.000 0.303 260 R C -0.507 175.689 176.300 -0.173 0.000 0.968 260 R CA -0.671 55.273 56.100 -0.260 0.000 0.889 260 R CB 1.909 31.938 30.300 -0.451 0.000 1.123 260 R HN 0.672 nan 8.270 nan 0.000 0.455 261 A N 2.948 125.820 122.820 0.085 0.000 2.943 261 A HA 0.216 4.536 4.320 0.000 0.000 0.327 261 A C -0.971 176.731 177.584 0.196 0.000 1.141 261 A CA -0.712 51.398 52.037 0.121 0.000 0.773 261 A CB 0.276 19.252 19.000 -0.040 0.000 1.143 261 A HN 0.612 nan 8.150 nan 0.000 0.463 262 N N 3.456 122.279 118.700 0.204 0.000 2.408 262 N HA 0.384 5.124 4.740 0.000 0.000 0.257 262 N C -2.525 173.006 175.510 0.035 0.000 1.064 262 N CA -1.559 51.509 53.050 0.031 0.000 0.952 262 N CB 1.344 39.820 38.487 -0.019 0.000 1.093 262 N HN 0.364 nan 8.380 nan 0.000 0.490 263 P HA 0.109 nan 4.420 nan 0.000 0.274 263 P C 0.069 177.173 177.300 -0.327 0.000 1.231 263 P CA -0.292 62.593 63.100 -0.359 0.000 0.790 263 P CB 0.833 32.288 31.700 -0.409 0.000 0.951 264 N N 1.527 119.995 118.700 -0.387 0.000 2.381 264 N HA -0.084 4.656 4.740 0.000 0.000 0.182 264 N C 0.384 175.893 175.510 -0.002 0.000 1.025 264 N CA 0.926 53.883 53.050 -0.155 0.000 0.888 264 N CB -0.654 37.801 38.487 -0.054 0.000 0.965 264 N HN 0.533 nan 8.380 nan 0.000 0.438 265 F N -4.338 115.531 119.950 -0.135 0.000 2.741 265 F HA 0.739 5.266 4.527 0.000 0.000 0.313 265 F C 0.536 176.272 175.800 -0.106 0.000 1.153 265 F CA -0.505 57.433 58.000 -0.103 0.000 0.931 265 F CB 1.158 40.113 39.000 -0.074 0.000 1.335 265 F HN 0.163 nan 8.300 nan 0.000 0.460 266 G N 1.437 110.333 108.800 0.161 0.000 2.601 266 G HA2 -0.133 3.827 3.960 0.000 0.000 0.224 266 G HA3 -0.133 3.827 3.960 0.000 0.000 0.224 266 G C -1.395 173.471 174.900 -0.057 0.000 1.171 266 G CA -0.406 44.713 45.100 0.032 0.000 1.009 266 G HN 0.930 nan 8.290 nan 0.000 0.589 267 N N 1.935 120.565 118.700 -0.117 0.000 2.602 267 N HA 0.426 5.166 4.740 0.000 0.000 0.238 267 N C 0.627 176.029 175.510 -0.181 0.000 1.084 267 N CA 0.614 53.585 53.050 -0.132 0.000 0.952 267 N CB 1.160 39.566 38.487 -0.135 0.000 1.244 267 N HN 1.069 nan 8.380 nan 0.000 0.512 268 V N -0.590 119.213 119.914 -0.186 0.000 2.997 268 V HA 0.966 5.086 4.120 0.000 0.000 0.311 268 V C 0.935 176.811 176.094 -0.363 0.000 1.066 268 V CA -0.134 62.005 62.300 -0.267 0.000 1.039 268 V CB 0.794 32.498 31.823 -0.198 0.000 1.081 268 V HN 0.747 nan 8.190 nan 0.000 0.467 269 G N 1.671 110.101 108.800 -0.616 0.000 2.610 269 G HA2 -0.093 3.867 3.960 0.000 0.000 0.304 269 G HA3 -0.093 3.867 3.960 0.000 0.000 0.304 269 G C -0.794 173.431 174.900 -1.126 0.000 1.309 269 G CA 0.067 44.725 45.100 -0.736 0.000 0.906 269 G HN 1.369 nan 8.290 nan 0.000 0.521 270 F N 0.401 120.247 119.950 -0.174 0.000 2.817 270 F HA 0.333 4.860 4.527 0.000 0.000 0.319 270 F C 1.407 177.063 175.800 -0.239 0.000 1.136 270 F CA 0.059 57.904 58.000 -0.258 0.000 1.177 270 F CB 0.810 39.589 39.000 -0.370 0.000 1.088 270 F HN 0.428 nan 8.300 nan 0.000 0.520 271 T N 0.885 115.402 114.554 -0.062 0.000 2.871 271 T HA 0.330 4.680 4.350 0.000 0.000 0.296 271 T C 1.270 175.940 174.700 -0.049 0.000 0.998 271 T CA 1.443 63.515 62.100 -0.047 0.000 1.162 271 T CB 0.450 69.289 68.868 -0.047 0.000 0.947 271 T HN 0.734 nan 8.240 nan 0.000 0.536 272 G N 2.500 111.283 108.800 -0.027 0.000 2.168 272 G HA2 -0.090 3.870 3.960 0.000 0.000 0.263 272 G HA3 -0.090 3.870 3.960 0.000 0.000 0.263 272 G C 1.011 175.902 174.900 -0.015 0.000 0.977 272 G CA 0.369 45.466 45.100 -0.004 0.000 0.659 272 G HN 1.938 nan 8.290 nan 0.000 0.533 273 G N -0.699 108.040 108.800 -0.102 0.000 2.157 273 G HA2 -0.135 3.825 3.960 0.000 0.000 0.248 273 G HA3 -0.135 3.825 3.960 0.000 0.000 0.248 273 G C 0.706 175.524 174.900 -0.137 0.000 0.979 273 G CA 0.717 45.689 45.100 -0.213 0.000 0.650 273 G HN 2.202 nan 8.290 nan 0.000 0.529 274 I N -2.965 117.552 120.570 -0.088 0.000 3.194 274 I HA 0.423 4.593 4.170 0.000 0.000 0.283 274 I C 1.036 177.117 176.117 -0.059 0.000 1.199 274 I CA 0.647 61.907 61.300 -0.067 0.000 1.328 274 I CB 0.005 37.952 38.000 -0.088 0.000 1.404 274 I HN 0.233 nan 8.210 nan 0.000 0.618 275 N N 1.067 119.737 118.700 -0.051 0.000 2.708 275 N HA -0.183 4.557 4.740 0.000 0.000 0.249 275 N C -0.932 174.621 175.510 0.070 0.000 1.097 275 N CA 0.777 53.815 53.050 -0.020 0.000 0.710 275 N CB -0.812 37.600 38.487 -0.125 0.000 1.032 275 N HN 0.732 nan 8.380 nan 0.000 0.551 276 S N -1.058 114.651 115.700 0.014 0.000 2.661 276 S HA 0.952 5.422 4.470 0.000 0.000 0.285 276 S C -0.365 174.285 174.600 0.083 0.000 1.138 276 S CA -0.258 57.947 58.200 0.007 0.000 0.855 276 S CB 2.610 65.689 63.200 -0.201 0.000 1.136 276 S HN 0.406 nan 8.310 nan 0.000 0.484 277 A N 0.579 123.491 122.820 0.154 0.000 2.567 277 A HA 0.889 5.209 4.320 0.000 0.000 0.289 277 A C -1.875 175.820 177.584 0.185 0.000 1.177 277 A CA -0.716 51.405 52.037 0.139 0.000 0.694 277 A CB 0.801 19.833 19.000 0.054 0.000 1.292 277 A HN 0.686 nan 8.150 nan 0.000 0.425 278 I N 0.477 121.090 120.570 0.072 0.000 2.436 278 I HA 0.373 4.543 4.170 0.000 0.000 0.289 278 I C -1.160 174.937 176.117 -0.032 0.000 1.010 278 I CA -0.634 60.667 61.300 0.002 0.000 1.098 278 I CB 1.828 39.791 38.000 -0.061 0.000 1.266 278 I HN 0.487 nan 8.210 nan 0.000 0.434 279 L N 7.323 128.532 121.223 -0.023 0.000 2.255 279 L HA 0.437 4.777 4.340 0.000 0.000 0.289 279 L C -0.124 176.799 176.870 0.089 0.000 1.046 279 L CA 0.048 54.875 54.840 -0.022 0.000 0.816 279 L CB 0.420 42.439 42.059 -0.066 0.000 1.197 279 L HN 0.557 nan 8.230 nan 0.000 0.427 280 R N 4.040 124.570 120.500 0.050 0.000 2.337 280 R HA 0.335 4.675 4.340 0.000 0.000 0.319 280 R C -1.301 175.087 176.300 0.148 0.000 0.954 280 R CA -0.627 55.538 56.100 0.109 0.000 0.840 280 R CB 0.605 30.920 30.300 0.025 0.000 1.164 280 R HN 0.462 nan 8.270 nan 0.000 0.472 281 Y N 2.198 122.535 120.300 0.061 0.000 2.497 281 Y HA -0.002 4.548 4.550 0.000 0.000 0.334 281 Y C 0.460 176.386 175.900 0.043 0.000 1.199 281 Y CA 0.302 58.444 58.100 0.070 0.000 1.425 281 Y CB 0.493 39.027 38.460 0.125 0.000 1.291 281 Y HN 0.543 nan 8.280 nan 0.000 0.562 282 D N 1.577 122.054 120.400 0.129 0.000 2.493 282 D HA 0.266 4.906 4.640 0.000 0.000 0.240 282 D C 1.204 177.574 176.300 0.116 0.000 1.142 282 D CA 1.660 55.716 54.000 0.093 0.000 0.872 282 D CB 0.759 41.601 40.800 0.070 0.000 1.173 282 D HN 0.819 nan 8.370 nan 0.000 0.467 283 G N 0.948 109.794 108.800 0.077 0.000 2.254 283 G HA2 -0.162 3.798 3.960 0.000 0.000 0.225 283 G HA3 -0.162 3.798 3.960 0.000 0.000 0.225 283 G C 0.491 175.419 174.900 0.047 0.000 1.003 283 G CA 0.153 45.289 45.100 0.061 0.000 0.622 283 G HN 0.869 nan 8.290 nan 0.000 0.507 284 A N 0.664 123.522 122.820 0.063 0.000 2.371 284 A HA 0.853 5.173 4.320 0.000 0.000 0.257 284 A C 0.976 178.558 177.584 -0.004 0.000 1.089 284 A CA 1.084 53.135 52.037 0.023 0.000 0.794 284 A CB 0.498 19.524 19.000 0.043 0.000 1.029 284 A HN 2.098 nan 8.150 nan 0.000 0.488 285 A N 0.977 123.777 122.820 -0.034 0.000 2.366 285 A HA 0.531 4.851 4.320 0.000 0.000 0.249 285 A C 0.802 178.357 177.584 -0.048 0.000 1.084 285 A CA 0.213 52.227 52.037 -0.038 0.000 0.794 285 A CB -0.049 18.922 19.000 -0.049 0.000 1.034 285 A HN 2.117 nan 8.150 nan 0.000 0.491 286 A N 1.508 124.305 122.820 -0.039 0.000 2.915 286 A HA 0.501 4.821 4.320 0.000 0.000 0.292 286 A C 0.201 177.751 177.584 -0.057 0.000 1.632 286 A CA 0.273 52.284 52.037 -0.042 0.000 1.337 286 A CB -1.369 17.616 19.000 -0.026 0.000 1.111 286 A HN 2.043 nan 8.150 nan 0.000 0.569 287 V N -0.951 118.909 119.914 -0.089 0.000 3.181 287 V HA 0.580 4.700 4.120 0.000 0.000 0.308 287 V C -0.422 175.567 176.094 -0.175 0.000 1.214 287 V CA -1.223 61.014 62.300 -0.106 0.000 1.053 287 V CB 1.252 33.011 31.823 -0.107 0.000 1.069 287 V HN 0.616 nan 8.190 nan 0.000 0.441 288 E N 1.647 121.734 120.200 -0.188 0.000 2.373 288 E HA 0.411 4.761 4.350 0.000 0.000 0.263 288 E C -2.409 173.863 176.600 -0.548 0.000 1.073 288 E CA -1.411 54.779 56.400 -0.349 0.000 0.894 288 E CB 0.947 30.545 29.700 -0.169 0.000 1.008 288 E HN 0.621 nan 8.360 nan 0.000 0.420 289 P HA 0.047 nan 4.420 nan 0.000 0.275 289 P C -0.019 176.840 177.300 -0.734 0.000 1.266 289 P CA -0.047 62.444 63.100 -1.014 0.000 0.793 289 P CB 0.613 31.435 31.700 -1.463 0.000 1.074 290 T N -6.102 108.190 114.554 -0.438 0.000 3.403 290 T HA 0.130 4.481 4.350 0.000 0.000 0.308 290 T C 0.229 174.887 174.700 -0.070 0.000 0.952 290 T CA -0.363 61.665 62.100 -0.120 0.000 0.970 290 T CB -1.272 67.538 68.868 -0.097 0.000 1.189 290 T HN 0.440 nan 8.240 nan 0.000 0.528 291 T N 1.938 116.403 114.554 -0.149 0.000 2.898 291 T HA 0.487 4.837 4.350 0.000 0.000 0.301 291 T C 0.443 175.203 174.700 0.101 0.000 1.049 291 T CA -0.138 61.926 62.100 -0.059 0.000 1.095 291 T CB 0.960 69.770 68.868 -0.097 0.000 0.976 291 T HN 0.466 nan 8.240 nan 0.000 0.539 292 T N 0.200 114.786 114.554 0.053 0.000 2.902 292 T HA 0.405 4.755 4.350 0.000 0.000 0.283 292 T C -0.201 174.503 174.700 0.007 0.000 1.009 292 T CA -1.047 61.076 62.100 0.039 0.000 1.051 292 T CB 1.449 70.326 68.868 0.014 0.000 0.999 292 T HN 0.866 nan 8.240 nan 0.000 0.474 293 Q N 1.603 121.373 119.800 -0.050 0.000 2.314 293 Q HA 0.420 4.760 4.340 0.000 0.000 0.258 293 Q C -0.142 175.829 176.000 -0.049 0.000 0.954 293 Q CA -0.552 55.197 55.803 -0.090 0.000 0.890 293 Q CB 0.568 29.193 28.738 -0.189 0.000 1.210 293 Q HN 0.919 nan 8.270 nan 0.000 0.410 294 T N 0.343 114.872 114.554 -0.042 0.000 2.949 294 T HA 0.415 4.765 4.350 0.000 0.000 0.287 294 T C -0.052 174.630 174.700 -0.031 0.000 1.034 294 T CA -0.815 61.268 62.100 -0.028 0.000 1.018 294 T CB 1.498 70.354 68.868 -0.021 0.000 1.135 294 T HN 0.529 nan 8.240 nan 0.000 0.532 295 T N 2.335 116.876 114.554 -0.022 0.000 2.940 295 T HA 0.254 4.604 4.350 0.000 0.000 0.309 295 T C 0.498 175.183 174.700 -0.025 0.000 1.056 295 T CA -0.115 61.973 62.100 -0.020 0.000 1.137 295 T CB 0.671 69.531 68.868 -0.013 0.000 0.976 295 T HN 0.761 nan 8.240 nan 0.000 0.547 296 S N 1.674 117.358 115.700 -0.027 0.000 2.474 296 S HA 0.241 4.711 4.470 0.000 0.000 0.276 296 S C 1.320 175.906 174.600 -0.024 0.000 1.227 296 S CA -0.538 57.643 58.200 -0.032 0.000 1.050 296 S CB 0.140 63.318 63.200 -0.037 0.000 0.939 296 S HN 0.857 nan 8.310 nan 0.000 0.490 297 T N 1.819 116.359 114.554 -0.023 0.000 3.054 297 T HA 0.453 4.803 4.350 0.000 0.000 0.255 297 T C 0.470 175.160 174.700 -0.016 0.000 1.035 297 T CA 0.173 62.263 62.100 -0.016 0.000 0.941 297 T CB 0.368 69.228 68.868 -0.013 0.000 1.026 297 T HN 0.664 nan 8.240 nan 0.000 0.533 298 A N 1.949 124.755 122.820 -0.023 0.000 3.176 298 A HA 0.658 4.978 4.320 0.000 0.000 0.265 298 A C -3.077 174.486 177.584 -0.036 0.000 0.936 298 A CA -1.312 50.710 52.037 -0.024 0.000 1.033 298 A CB 0.362 19.349 19.000 -0.021 0.000 1.158 298 A HN 0.239 nan 8.150 nan 0.000 0.485 299 P HA 0.162 nan 4.420 nan 0.000 0.267 299 P C 0.141 177.411 177.300 -0.049 0.000 1.200 299 P CA -0.123 62.951 63.100 -0.043 0.000 0.772 299 P CB 0.541 32.225 31.700 -0.027 0.000 0.855 300 L N 3.083 124.259 121.223 -0.078 0.000 2.453 300 L HA 0.309 4.649 4.340 0.000 0.000 0.272 300 L C -0.103 176.741 176.870 -0.044 0.000 1.182 300 L CA 0.653 55.436 54.840 -0.095 0.000 0.858 300 L CB -0.280 41.664 42.059 -0.193 0.000 1.120 300 L HN 0.281 nan 8.230 nan 0.000 0.474 301 N N 3.160 121.844 118.700 -0.028 0.000 2.461 301 N HA 0.132 4.872 4.740 0.000 0.000 0.284 301 N C 0.380 175.889 175.510 -0.002 0.000 1.049 301 N CA -0.315 52.735 53.050 0.000 0.000 0.889 301 N CB 1.312 39.798 38.487 -0.002 0.000 1.365 301 N HN 0.906 nan 8.380 nan 0.000 0.499 302 E N 2.034 122.253 120.200 0.032 0.000 2.136 302 E HA -0.185 4.165 4.350 0.000 0.000 0.202 302 E C 1.082 177.657 176.600 -0.042 0.000 1.019 302 E CA 1.428 57.847 56.400 0.031 0.000 0.819 302 E CB 0.313 30.047 29.700 0.056 0.000 0.739 302 E HN 0.446 nan 8.360 nan 0.000 0.458 303 V N 1.743 121.629 119.914 -0.047 0.000 2.688 303 V HA -0.240 3.880 4.120 0.000 0.000 0.256 303 V C 1.575 177.588 176.094 -0.134 0.000 1.084 303 V CA 1.655 63.909 62.300 -0.077 0.000 1.103 303 V CB -0.417 31.383 31.823 -0.039 0.000 0.688 303 V HN 0.334 nan 8.190 nan 0.000 0.480 304 N N -0.232 118.403 118.700 -0.108 0.000 2.398 304 N HA 0.134 4.874 4.740 0.000 0.000 0.188 304 N C 0.345 175.718 175.510 -0.228 0.000 1.122 304 N CA 0.233 53.220 53.050 -0.106 0.000 0.866 304 N CB 0.128 38.603 38.487 -0.019 0.000 0.970 304 N HN 0.395 nan 8.380 nan 0.000 0.462 305 L N 1.073 122.130 121.223 -0.276 0.000 2.290 305 L HA 0.257 4.597 4.340 0.000 0.000 0.284 305 L C -0.404 176.209 176.870 -0.428 0.000 1.078 305 L CA -0.163 54.553 54.840 -0.207 0.000 0.815 305 L CB 0.510 42.550 42.059 -0.033 0.000 1.162 305 L HN 0.053 nan 8.230 nan 0.000 0.435 306 H N 2.285 121.407 119.070 0.086 0.000 2.806 306 H HA 0.372 4.928 4.556 0.000 0.000 0.367 306 H C -2.448 172.942 175.328 0.103 0.000 1.136 306 H CA -1.836 54.269 56.048 0.095 0.000 1.178 306 H CB 1.813 31.622 29.762 0.079 0.000 1.718 306 H HN 0.368 nan 8.280 nan 0.000 0.540 307 P HA -0.108 nan 4.420 nan 0.000 0.267 307 P C 0.572 177.954 177.300 0.136 0.000 1.200 307 P CA -0.079 63.125 63.100 0.173 0.000 0.772 307 P CB 0.827 32.632 31.700 0.174 0.000 0.855 308 L N 4.796 126.078 121.223 0.098 0.000 2.056 308 L HA -0.032 4.308 4.340 0.000 0.000 0.207 308 L C 0.343 177.250 176.870 0.063 0.000 1.078 308 L CA 1.908 56.796 54.840 0.081 0.000 0.749 308 L CB -0.194 41.905 42.059 0.068 0.000 0.901 308 L HN 0.069 nan 8.230 nan 0.000 0.433 309 V N 0.897 120.840 119.914 0.050 0.000 2.472 309 V HA 0.588 4.708 4.120 0.000 0.000 0.290 309 V C 0.562 176.677 176.094 0.036 0.000 1.037 309 V CA -0.868 61.452 62.300 0.033 0.000 0.908 309 V CB 0.783 32.616 31.823 0.017 0.000 0.985 309 V HN 0.344 nan 8.190 nan 0.000 0.454 310 A N 3.752 126.594 122.820 0.035 0.000 2.561 310 A HA 0.426 4.746 4.320 0.000 0.000 0.251 310 A C 0.485 178.087 177.584 0.030 0.000 1.062 310 A CA 0.425 52.489 52.037 0.045 0.000 0.761 310 A CB -0.402 18.620 19.000 0.037 0.000 0.986 310 A HN 0.861 nan 8.150 nan 0.000 0.510 311 T N 2.584 117.171 114.554 0.055 0.000 2.965 311 T HA 0.544 4.894 4.350 0.000 0.000 0.306 311 T C 0.131 174.913 174.700 0.137 0.000 0.991 311 T CA 0.267 62.368 62.100 0.003 0.000 1.001 311 T CB 1.282 70.035 68.868 -0.191 0.000 0.984 311 T HN 1.154 nan 8.240 nan 0.000 0.446 312 A N 3.137 126.025 122.820 0.113 0.000 2.511 312 A HA 0.483 4.803 4.320 0.000 0.000 0.242 312 A C 0.543 178.302 177.584 0.292 0.000 1.069 312 A CA -0.292 51.847 52.037 0.170 0.000 0.763 312 A CB 0.074 19.139 19.000 0.107 0.000 1.001 312 A HN 0.720 nan 8.150 nan 0.000 0.498 313 V N 6.184 126.270 119.914 0.288 0.000 2.508 313 V HA 0.182 4.302 4.120 0.000 0.000 0.281 313 V C -1.504 174.715 176.094 0.209 0.000 1.041 313 V CA -0.935 61.539 62.300 0.291 0.000 1.016 313 V CB 0.639 32.600 31.823 0.230 0.000 0.984 313 V HN 0.897 nan 8.190 nan 0.000 0.478 314 P HA 0.284 nan 4.420 nan 0.000 0.267 314 P C 0.457 177.789 177.300 0.053 0.000 1.200 314 P CA 1.113 64.275 63.100 0.104 0.000 0.772 314 P CB 0.655 32.402 31.700 0.079 0.000 0.855 315 G N 2.063 110.870 108.800 0.011 0.000 2.527 315 G HA2 -0.115 3.845 3.960 0.000 0.000 0.227 315 G HA3 -0.115 3.845 3.960 0.000 0.000 0.227 315 G C -0.785 174.094 174.900 -0.034 0.000 1.291 315 G CA -0.277 44.808 45.100 -0.025 0.000 0.904 315 G HN 0.678 nan 8.290 nan 0.000 0.577 316 S N 2.182 117.828 115.700 -0.089 0.000 2.532 316 S HA 0.693 5.163 4.470 0.000 0.000 0.301 316 S C -2.139 172.272 174.600 -0.316 0.000 1.083 316 S CA -0.514 57.602 58.200 -0.140 0.000 1.025 316 S CB 2.593 65.713 63.200 -0.134 0.000 1.056 316 S HN 0.758 nan 8.310 nan 0.000 0.494 317 P HA 0.125 nan 4.420 nan 0.000 0.251 317 P C -0.872 175.864 177.300 -0.941 0.000 1.624 317 P CA 0.328 63.006 63.100 -0.704 0.000 0.907 317 P CB -0.517 31.077 31.700 -0.177 0.000 1.867 318 V N -0.179 119.136 119.914 -0.999 0.000 3.120 318 V HA 0.516 4.636 4.120 0.000 0.000 0.303 318 V C 0.058 175.906 176.094 -0.410 0.000 1.238 318 V CA -1.447 60.514 62.300 -0.566 0.000 1.008 318 V CB 1.976 33.629 31.823 -0.282 0.000 1.064 318 V HN 0.229 nan 8.190 nan 0.000 0.434 319 A N 1.654 124.359 122.820 -0.192 0.000 2.546 319 A HA 0.512 4.832 4.320 0.000 0.000 0.243 319 A C 1.563 179.087 177.584 -0.100 0.000 1.063 319 A CA 0.958 52.937 52.037 -0.097 0.000 0.757 319 A CB -0.538 18.364 19.000 -0.164 0.000 0.991 319 A HN 2.503 nan 8.150 nan 0.000 0.503 320 G N 1.844 110.608 108.800 -0.060 0.000 2.220 320 G HA2 -0.146 3.814 3.960 0.000 0.000 0.269 320 G HA3 -0.146 3.814 3.960 0.000 0.000 0.269 320 G C 1.074 175.921 174.900 -0.090 0.000 0.977 320 G CA 0.726 45.783 45.100 -0.072 0.000 0.634 320 G HN 2.105 nan 8.290 nan 0.000 0.539 321 G N -0.218 108.509 108.800 -0.122 0.000 2.894 321 G HA2 0.499 4.459 3.960 0.000 0.000 0.265 321 G HA3 0.499 4.459 3.960 0.000 0.000 0.265 321 G C -0.099 174.738 174.900 -0.104 0.000 0.735 321 G CA 0.854 45.875 45.100 -0.131 0.000 2.064 321 G HN 1.239 nan 8.290 nan 0.000 0.590 322 V N -0.250 119.609 119.914 -0.091 0.000 3.206 322 V HA 0.276 4.396 4.120 0.000 0.000 0.305 322 V C 0.221 176.256 176.094 -0.097 0.000 1.257 322 V CA -0.677 61.566 62.300 -0.094 0.000 1.057 322 V CB 2.089 33.850 31.823 -0.104 0.000 1.075 322 V HN 0.366 nan 8.190 nan 0.000 0.443 323 D N 1.017 121.352 120.400 -0.108 0.000 2.084 323 D HA 0.017 4.657 4.640 0.000 0.000 0.196 323 D C 0.292 176.529 176.300 -0.106 0.000 0.985 323 D CA 1.564 55.504 54.000 -0.100 0.000 0.826 323 D CB 0.449 41.187 40.800 -0.105 0.000 0.978 323 D HN 0.186 nan 8.370 nan 0.000 0.456 324 L N 0.416 121.552 121.223 -0.144 0.000 2.406 324 L HA 0.520 4.860 4.340 0.000 0.000 0.272 324 L C -1.546 175.224 176.870 -0.167 0.000 0.980 324 L CA -0.493 54.261 54.840 -0.144 0.000 0.831 324 L CB 1.822 43.781 42.059 -0.166 0.000 1.253 324 L HN -0.168 nan 8.230 nan 0.000 0.406 325 A N 6.510 129.255 122.820 -0.126 0.000 2.331 325 A HA 0.844 5.164 4.320 0.000 0.000 0.320 325 A C -0.973 176.539 177.584 -0.120 0.000 1.138 325 A CA -0.489 51.471 52.037 -0.128 0.000 0.790 325 A CB 1.131 20.072 19.000 -0.098 0.000 1.206 325 A HN 0.665 nan 8.150 nan 0.000 0.470 326 I N 2.373 122.851 120.570 -0.154 0.000 2.582 326 I HA 0.327 4.497 4.170 0.000 0.000 0.292 326 I C -0.538 175.450 176.117 -0.216 0.000 1.066 326 I CA -0.714 60.494 61.300 -0.153 0.000 1.053 326 I CB 2.243 40.134 38.000 -0.181 0.000 1.241 326 I HN 0.714 nan 8.210 nan 0.000 0.421 327 N N 7.014 125.606 118.700 -0.181 0.000 2.400 327 N HA 0.378 5.118 4.740 0.000 0.000 0.288 327 N C -1.190 174.173 175.510 -0.244 0.000 1.024 327 N CA -0.566 52.340 53.050 -0.241 0.000 0.894 327 N CB 1.501 39.894 38.487 -0.157 0.000 1.173 327 N HN 0.449 nan 8.380 nan 0.000 0.487 328 M N 2.901 122.258 119.600 -0.405 0.000 2.206 328 M HA 0.266 4.746 4.480 0.000 0.000 0.353 328 M C -0.062 176.047 176.300 -0.319 0.000 1.242 328 M CA -0.760 54.347 55.300 -0.321 0.000 1.179 328 M CB 0.013 32.344 32.600 -0.448 0.000 1.374 328 M HN 0.439 nan 8.290 nan 0.000 0.427 329 A N 4.072 126.846 122.820 -0.076 0.000 2.354 329 A HA 0.604 4.924 4.320 0.000 0.000 0.281 329 A C -0.466 177.286 177.584 0.280 0.000 1.174 329 A CA -0.312 51.729 52.037 0.005 0.000 0.828 329 A CB 0.033 19.066 19.000 0.055 0.000 1.099 329 A HN 0.543 nan 8.150 nan 0.000 0.516 330 F N 1.738 121.811 119.950 0.206 0.000 2.399 330 F HA 0.406 4.933 4.527 0.000 0.000 0.342 330 F C 0.838 176.816 175.800 0.296 0.000 1.106 330 F CA -0.478 57.728 58.000 0.343 0.000 1.196 330 F CB 0.852 40.060 39.000 0.346 0.000 1.163 330 F HN 0.767 nan 8.300 nan 0.000 0.547 331 N N 0.852 119.865 118.700 0.522 0.000 2.823 331 N HA 0.545 5.285 4.740 0.000 0.000 0.251 331 N C -2.272 173.456 175.510 0.364 0.000 1.392 331 N CA -0.559 52.689 53.050 0.331 0.000 0.864 331 N CB 1.974 40.573 38.487 0.187 0.000 1.481 331 N HN 0.329 nan 8.380 nan 0.000 0.508 332 F N 2.018 121.945 119.950 -0.037 0.000 2.604 332 F HA 0.363 4.890 4.527 0.000 0.000 0.316 332 F C -1.232 174.465 175.800 -0.172 0.000 1.136 332 F CA -0.768 57.120 58.000 -0.186 0.000 0.989 332 F CB 1.259 39.986 39.000 -0.456 0.000 1.258 332 F HN 0.547 nan 8.300 nan 0.000 0.451 333 N N 3.134 121.439 118.700 -0.658 0.000 2.480 333 N HA 0.532 5.272 4.740 0.000 0.000 0.281 333 N C 0.531 175.606 175.510 -0.726 0.000 1.381 333 N CA 0.124 52.856 53.050 -0.529 0.000 0.903 333 N CB 1.048 39.333 38.487 -0.336 0.000 1.274 333 N HN 1.041 nan 8.380 nan 0.000 0.505 334 G N 0.679 108.594 108.800 -1.476 0.000 4.240 334 G HA2 -0.372 3.588 3.960 0.000 0.000 0.254 334 G HA3 -0.372 3.588 3.960 0.000 0.000 0.254 334 G C 1.041 175.348 174.900 -0.988 0.000 1.712 334 G CA 0.454 44.940 45.100 -1.024 0.000 1.374 334 G HN 0.695 nan 8.290 nan 0.000 0.631 335 T N -0.669 113.630 114.554 -0.425 0.000 3.067 335 T HA 0.324 4.674 4.350 0.000 0.000 0.257 335 T C 0.717 175.482 174.700 0.108 0.000 1.105 335 T CA 1.358 63.460 62.100 0.003 0.000 1.104 335 T CB 0.049 68.893 68.868 -0.040 0.000 0.925 335 T HN 0.552 nan 8.240 nan 0.000 0.498 336 N N 0.231 118.856 118.700 -0.125 0.000 2.235 336 N HA 0.463 5.203 4.740 0.000 0.000 0.293 336 N C -1.808 173.711 175.510 0.015 0.000 1.083 336 N CA -0.546 52.521 53.050 0.028 0.000 0.801 336 N CB 1.902 40.382 38.487 -0.011 0.000 1.559 336 N HN 0.079 nan 8.380 nan 0.000 0.472 337 F N 0.955 121.039 119.950 0.222 0.000 2.377 337 F HA 0.552 5.079 4.527 0.000 0.000 0.328 337 F C 0.027 175.869 175.800 0.070 0.000 1.094 337 F CA -0.125 57.986 58.000 0.186 0.000 1.093 337 F CB 0.803 39.711 39.000 -0.153 0.000 1.214 337 F HN 0.313 nan 8.300 nan 0.000 0.518 338 F N 2.038 122.248 119.950 0.432 0.000 2.588 338 F HA 0.626 5.153 4.527 0.000 0.000 0.310 338 F C -0.659 175.469 175.800 0.547 0.000 1.082 338 F CA -0.864 57.385 58.000 0.414 0.000 0.929 338 F CB 1.916 41.074 39.000 0.262 0.000 1.254 338 F HN 0.042 nan 8.300 nan 0.000 0.455 339 I N 2.184 123.136 120.570 0.636 0.000 2.497 339 I HA 0.242 4.412 4.170 0.000 0.000 0.284 339 I C -0.646 175.743 176.117 0.453 0.000 1.060 339 I CA -0.629 61.009 61.300 0.564 0.000 1.071 339 I CB 1.557 39.839 38.000 0.470 0.000 1.216 339 I HN 0.745 nan 8.210 nan 0.000 0.442 340 N N 4.598 123.529 118.700 0.385 0.000 2.738 340 N HA -0.199 4.541 4.740 0.000 0.000 0.249 340 N C 0.933 176.623 175.510 0.300 0.000 1.047 340 N CA 0.536 53.767 53.050 0.302 0.000 0.707 340 N CB -0.511 38.171 38.487 0.326 0.000 0.937 340 N HN 1.174 nan 8.380 nan 0.000 0.545 341 G N -1.661 107.341 108.800 0.336 0.000 2.155 341 G HA2 -0.169 3.791 3.960 0.000 0.000 0.257 341 G HA3 -0.169 3.791 3.960 0.000 0.000 0.257 341 G C 0.060 175.254 174.900 0.491 0.000 0.983 341 G CA 0.609 45.910 45.100 0.334 0.000 0.676 341 G HN 0.985 nan 8.290 nan 0.000 0.528 342 A N -0.802 122.320 122.820 0.503 0.000 2.386 342 A HA 0.869 5.189 4.320 0.000 0.000 0.311 342 A C 0.007 177.676 177.584 0.142 0.000 1.068 342 A CA 0.486 52.729 52.037 0.343 0.000 0.743 342 A CB 1.908 21.064 19.000 0.260 0.000 1.258 342 A HN 1.425 nan 8.150 nan 0.000 0.429 343 S N 1.867 117.448 115.700 -0.198 0.000 2.566 343 S HA 0.534 5.004 4.470 0.000 0.000 0.324 343 S C -0.548 174.034 174.600 -0.030 0.000 1.081 343 S CA -0.465 57.495 58.200 -0.400 0.000 1.105 343 S CB -0.221 62.345 63.200 -1.057 0.000 0.981 343 S HN 0.726 nan 8.310 nan 0.000 0.464 344 F N 4.742 124.705 119.950 0.022 0.000 2.602 344 F HA 0.382 4.909 4.527 0.000 0.000 0.367 344 F C 0.669 176.505 175.800 0.060 0.000 1.126 344 F CA 0.945 59.000 58.000 0.092 0.000 1.321 344 F CB 0.746 39.856 39.000 0.183 0.000 1.094 344 F HN 0.477 nan 8.300 nan 0.000 0.594 345 T N 7.335 121.346 114.554 -0.905 0.000 3.293 345 T HA 0.378 4.728 4.350 0.000 0.000 0.320 345 T C -2.909 171.215 174.700 -0.960 0.000 0.995 345 T CA -1.676 60.025 62.100 -0.666 0.000 1.041 345 T CB 0.899 69.572 68.868 -0.325 0.000 1.058 345 T HN 0.341 nan 8.240 nan 0.000 0.453 346 P HA 0.116 nan 4.420 nan 0.000 0.259 346 P C -2.391 174.652 177.300 -0.428 0.000 1.163 346 P CA -0.540 62.282 63.100 -0.463 0.000 0.760 346 P CB -0.043 31.460 31.700 -0.329 0.000 0.762 347 P HA 0.071 nan 4.420 nan 0.000 0.279 347 P C 0.652 177.840 177.300 -0.185 0.000 1.252 347 P CA -0.269 62.727 63.100 -0.173 0.000 0.811 347 P CB 0.782 32.451 31.700 -0.050 0.000 1.035 348 T N -1.744 112.731 114.554 -0.131 0.000 2.857 348 T HA 0.012 4.362 4.350 0.000 0.000 0.266 348 T C 0.999 175.740 174.700 0.069 0.000 1.048 348 T CA 0.646 62.702 62.100 -0.074 0.000 1.139 348 T CB -0.501 68.338 68.868 -0.048 0.000 0.874 348 T HN 0.183 nan 8.240 nan 0.000 0.455 349 V N 4.980 124.924 119.914 0.050 0.000 2.370 349 V HA 0.334 4.454 4.120 0.000 0.000 0.279 349 V C -2.224 173.922 176.094 0.087 0.000 1.029 349 V CA -2.535 59.801 62.300 0.061 0.000 0.870 349 V CB 1.136 32.979 31.823 0.032 0.000 0.984 349 V HN 0.254 nan 8.190 nan 0.000 0.451 350 P HA 0.032 nan 4.420 nan 0.000 0.266 350 P C 1.143 178.491 177.300 0.081 0.000 1.195 350 P CA 0.197 63.346 63.100 0.082 0.000 0.768 350 P CB 1.042 32.740 31.700 -0.004 0.000 0.838 351 V N 3.668 123.618 119.914 0.060 0.000 2.380 351 V HA -0.245 3.875 4.120 0.000 0.000 0.251 351 V C 2.478 178.605 176.094 0.054 0.000 1.063 351 V CA 1.621 63.948 62.300 0.046 0.000 1.055 351 V CB -1.133 30.695 31.823 0.010 0.000 0.657 351 V HN 0.562 nan 8.190 nan 0.000 0.455 352 L N -0.794 120.477 121.223 0.080 0.000 2.046 352 L HA -0.154 4.186 4.340 0.000 0.000 0.208 352 L C 2.394 179.386 176.870 0.202 0.000 1.077 352 L CA 1.724 56.627 54.840 0.104 0.000 0.747 352 L CB -0.190 41.966 42.059 0.162 0.000 0.896 352 L HN 0.361 nan 8.230 nan 0.000 0.432 353 L N -0.059 121.350 121.223 0.310 0.000 2.093 353 L HA -0.221 4.119 4.340 0.000 0.000 0.208 353 L C 2.515 179.470 176.870 0.143 0.000 1.085 353 L CA 1.619 56.634 54.840 0.293 0.000 0.755 353 L CB -0.533 41.620 42.059 0.157 0.000 0.904 353 L HN 0.288 nan 8.230 nan 0.000 0.435 354 Q N -0.607 119.253 119.800 0.099 0.000 2.061 354 Q HA -0.225 4.115 4.340 0.000 0.000 0.204 354 Q C 2.249 178.286 176.000 0.061 0.000 0.984 354 Q CA 2.253 58.096 55.803 0.067 0.000 0.846 354 Q CB -0.260 28.511 28.738 0.055 0.000 0.902 354 Q HN 0.557 nan 8.270 nan 0.000 0.421 355 I N 0.353 120.959 120.570 0.060 0.000 2.252 355 I HA -0.263 3.907 4.170 0.000 0.000 0.245 355 I C 2.144 178.289 176.117 0.046 0.000 1.102 355 I CA 1.025 62.352 61.300 0.045 0.000 1.385 355 I CB -0.249 37.769 38.000 0.029 0.000 1.064 355 I HN 0.205 nan 8.210 nan 0.000 0.414 356 I N 0.137 120.744 120.570 0.062 0.000 2.394 356 I HA -0.217 3.953 4.170 0.000 0.000 0.251 356 I C 2.144 178.297 176.117 0.060 0.000 1.136 356 I CA 1.126 62.461 61.300 0.059 0.000 1.425 356 I CB -0.287 37.766 38.000 0.089 0.000 1.079 356 I HN 0.119 nan 8.210 nan 0.000 0.425 357 S N 0.027 115.767 115.700 0.067 0.000 2.603 357 S HA 0.162 4.632 4.470 0.000 0.000 0.220 357 S C 1.448 176.071 174.600 0.038 0.000 0.967 357 S CA 0.824 59.056 58.200 0.052 0.000 0.920 357 S CB 0.456 63.687 63.200 0.051 0.000 0.773 357 S HN 0.728 nan 8.310 nan 0.000 0.529 358 G N 0.677 109.499 108.800 0.037 0.000 2.485 358 G HA2 -0.026 3.934 3.960 0.000 0.000 0.181 358 G HA3 -0.026 3.934 3.960 0.000 0.000 0.181 358 G C 0.180 175.098 174.900 0.030 0.000 0.999 358 G CA -0.378 44.740 45.100 0.030 0.000 0.721 358 G HN 0.697 nan 8.290 nan 0.000 0.486 359 A N 0.652 123.492 122.820 0.034 0.000 2.573 359 A HA 0.445 4.765 4.320 0.000 0.000 0.250 359 A C 1.118 178.722 177.584 0.033 0.000 1.049 359 A CA 1.748 53.805 52.037 0.034 0.000 0.767 359 A CB 0.356 19.380 19.000 0.039 0.000 0.965 359 A HN 0.679 nan 8.150 nan 0.000 0.514 360 Q N 1.861 121.679 119.800 0.030 0.000 2.378 360 Q HA 0.032 4.372 4.340 0.000 0.000 0.216 360 Q C 0.308 176.328 176.000 0.033 0.000 0.892 360 Q CA 0.755 56.575 55.803 0.030 0.000 0.931 360 Q CB 0.121 28.873 28.738 0.025 0.000 1.086 360 Q HN 1.004 nan 8.270 nan 0.000 0.528 361 N N -2.552 116.169 118.700 0.035 0.000 3.308 361 N HA 0.133 4.873 4.740 0.000 0.000 0.276 361 N C 0.128 175.663 175.510 0.041 0.000 1.533 361 N CA 0.167 53.240 53.050 0.039 0.000 0.878 361 N CB 0.242 38.747 38.487 0.031 0.000 1.566 361 N HN -0.067 nan 8.380 nan 0.000 0.546 362 A N -0.166 122.679 122.820 0.041 0.000 1.908 362 A HA -0.157 4.163 4.320 0.000 0.000 0.218 362 A C 2.456 180.050 177.584 0.017 0.000 1.181 362 A CA 3.558 55.615 52.037 0.034 0.000 0.627 362 A CB -1.636 17.373 19.000 0.015 0.000 0.818 362 A HN 0.936 nan 8.150 nan 0.000 0.445 363 Q N -0.203 119.604 119.800 0.013 0.000 2.135 363 Q HA -0.272 4.068 4.340 0.000 0.000 0.204 363 Q C 1.728 177.737 176.000 0.015 0.000 0.981 363 Q CA 2.075 57.884 55.803 0.009 0.000 0.856 363 Q CB -0.893 27.851 28.738 0.010 0.000 0.902 363 Q HN 0.795 nan 8.270 nan 0.000 0.425 364 D N -0.196 120.216 120.400 0.021 0.000 2.110 364 D HA 0.060 4.700 4.640 0.000 0.000 0.202 364 D C 0.779 177.095 176.300 0.027 0.000 0.975 364 D CA 0.173 54.187 54.000 0.022 0.000 0.839 364 D CB -0.362 40.452 40.800 0.025 0.000 0.996 364 D HN 0.517 nan 8.370 nan 0.000 0.464 365 L N 1.628 122.873 121.223 0.037 0.000 2.559 365 L HA -0.032 4.308 4.340 0.000 0.000 0.282 365 L C 0.406 177.305 176.870 0.047 0.000 1.232 365 L CA 0.231 55.099 54.840 0.048 0.000 0.885 365 L CB 0.171 42.269 42.059 0.064 0.000 1.131 365 L HN -0.088 nan 8.230 nan 0.000 0.498 366 L N 5.246 126.496 121.223 0.046 0.000 2.330 366 L HA 0.557 4.897 4.340 0.000 0.000 0.271 366 L C -2.067 174.840 176.870 0.061 0.000 1.013 366 L CA -2.035 52.825 54.840 0.035 0.000 0.816 366 L CB 1.909 43.971 42.059 0.005 0.000 1.287 366 L HN 0.417 nan 8.230 nan 0.000 0.435 367 P HA 0.044 nan 4.420 nan 0.000 0.275 367 P C -0.531 176.800 177.300 0.052 0.000 1.228 367 P CA -0.307 62.796 63.100 0.006 0.000 0.786 367 P CB 1.433 33.082 31.700 -0.085 0.000 0.927 368 S N 0.905 116.621 115.700 0.027 0.000 2.562 368 S HA 0.388 4.858 4.470 0.000 0.000 0.281 368 S C 1.507 176.133 174.600 0.043 0.000 1.333 368 S CA 1.086 59.303 58.200 0.028 0.000 1.052 368 S CB -1.072 62.138 63.200 0.017 0.000 0.884 368 S HN 0.872 nan 8.310 nan 0.000 0.506 369 G N 3.129 111.940 108.800 0.018 0.000 2.205 369 G HA2 -0.234 3.726 3.960 0.000 0.000 0.261 369 G HA3 -0.234 3.726 3.960 0.000 0.000 0.261 369 G C 0.694 175.629 174.900 0.059 0.000 0.980 369 G CA 0.559 45.672 45.100 0.022 0.000 0.632 369 G HN 0.798 nan 8.290 nan 0.000 0.533 370 S N -0.801 114.971 115.700 0.121 0.000 2.559 370 S HA 0.484 4.954 4.470 0.000 0.000 0.226 370 S C 0.387 175.156 174.600 0.281 0.000 1.000 370 S CA 0.503 58.872 58.200 0.281 0.000 0.948 370 S CB 1.289 64.765 63.200 0.460 0.000 0.870 370 S HN 0.561 nan 8.310 nan 0.000 0.497 371 V N 2.265 122.234 119.914 0.092 0.000 2.495 371 V HA 0.529 4.649 4.120 0.000 0.000 0.298 371 V C -1.300 174.788 176.094 -0.011 0.000 1.031 371 V CA -0.744 61.654 62.300 0.163 0.000 0.871 371 V CB 1.008 32.915 31.823 0.141 0.000 0.988 371 V HN 0.270 nan 8.190 nan 0.000 0.432 372 Y N 1.031 121.513 120.300 0.303 0.000 2.409 372 Y HA 0.548 5.098 4.550 0.000 0.000 0.343 372 Y C 0.633 176.656 175.900 0.205 0.000 0.973 372 Y CA -0.657 57.603 58.100 0.266 0.000 1.064 372 Y CB 2.178 40.857 38.460 0.366 0.000 1.207 372 Y HN 0.553 nan 8.280 nan 0.000 0.452 373 S N 3.243 119.084 115.700 0.235 0.000 2.537 373 S HA 0.563 5.033 4.470 0.000 0.000 0.275 373 S C -1.026 173.635 174.600 0.100 0.000 1.272 373 S CA -0.421 57.870 58.200 0.151 0.000 1.050 373 S CB 0.428 63.684 63.200 0.093 0.000 0.961 373 S HN 0.330 nan 8.310 nan 0.000 0.496 374 L N 5.415 126.685 121.223 0.079 0.000 2.376 374 L HA 0.488 4.828 4.340 0.000 0.000 0.275 374 L C -2.252 174.633 176.870 0.025 0.000 0.987 374 L CA -2.031 52.810 54.840 0.003 0.000 0.828 374 L CB 1.763 43.810 42.059 -0.020 0.000 1.249 374 L HN 0.378 nan 8.230 nan 0.000 0.409 375 P HA 0.191 nan 4.420 nan 0.000 0.275 375 P C -0.403 176.900 177.300 0.005 0.000 1.227 375 P CA -0.355 62.746 63.100 0.002 0.000 0.781 375 P CB 1.045 32.734 31.700 -0.019 0.000 0.906 376 S N 1.613 117.332 115.700 0.031 0.000 2.589 376 S HA 0.049 4.519 4.470 0.000 0.000 0.265 376 S C 0.642 175.250 174.600 0.014 0.000 1.342 376 S CA -0.294 57.932 58.200 0.044 0.000 1.005 376 S CB -0.530 62.707 63.200 0.061 0.000 0.909 376 S HN 0.649 nan 8.310 nan 0.000 0.555 377 N N -0.176 118.535 118.700 0.018 0.000 2.669 377 N HA -0.180 4.560 4.740 0.000 0.000 0.266 377 N C -0.594 174.898 175.510 -0.031 0.000 1.024 377 N CA 0.961 54.011 53.050 0.000 0.000 0.766 377 N CB -1.473 37.020 38.487 0.010 0.000 0.898 377 N HN 1.161 nan 8.380 nan 0.000 0.548 378 A N 0.805 123.585 122.820 -0.067 0.000 2.556 378 A HA 0.598 4.918 4.320 0.000 0.000 0.294 378 A C -1.256 176.228 177.584 -0.168 0.000 1.091 378 A CA -0.795 51.180 52.037 -0.103 0.000 0.704 378 A CB 1.181 20.116 19.000 -0.109 0.000 1.300 378 A HN 0.328 nan 8.150 nan 0.000 0.406 379 D N 1.155 121.455 120.400 -0.166 0.000 2.225 379 D HA 0.543 5.183 4.640 0.000 0.000 0.248 379 D C -0.506 175.610 176.300 -0.306 0.000 1.096 379 D CA 0.441 54.317 54.000 -0.207 0.000 0.863 379 D CB 1.428 42.156 40.800 -0.119 0.000 1.156 379 D HN 0.418 nan 8.370 nan 0.000 0.450 380 I N 0.970 121.244 120.570 -0.493 0.000 2.569 380 I HA 0.278 4.448 4.170 0.000 0.000 0.296 380 I C 0.072 175.946 176.117 -0.406 0.000 1.028 380 I CA -0.760 60.180 61.300 -0.599 0.000 1.082 380 I CB 2.298 39.583 38.000 -1.192 0.000 1.264 380 I HN 0.208 nan 8.210 nan 0.000 0.429 381 E N 6.796 126.843 120.200 -0.255 0.000 2.224 381 E HA 0.629 4.979 4.350 0.000 0.000 0.265 381 E C -1.701 174.815 176.600 -0.141 0.000 0.878 381 E CA -0.523 55.801 56.400 -0.126 0.000 0.759 381 E CB 1.936 31.595 29.700 -0.067 0.000 1.164 381 E HN 0.506 nan 8.360 nan 0.000 0.414 382 I N 2.923 123.418 120.570 -0.126 0.000 2.569 382 I HA 0.342 4.512 4.170 0.000 0.000 0.296 382 I C -0.596 175.270 176.117 -0.418 0.000 1.028 382 I CA -0.825 60.302 61.300 -0.288 0.000 1.082 382 I CB 2.213 40.052 38.000 -0.269 0.000 1.264 382 I HN 0.489 nan 8.210 nan 0.000 0.429 383 S N 4.192 119.550 115.700 -0.569 0.000 2.500 383 S HA 0.658 5.128 4.470 0.000 0.000 0.301 383 S C -0.882 173.251 174.600 -0.777 0.000 1.092 383 S CA -0.646 57.269 58.200 -0.474 0.000 1.030 383 S CB 1.080 64.147 63.200 -0.223 0.000 1.031 383 S HN 0.385 nan 8.310 nan 0.000 0.483 384 F N 1.562 121.301 119.950 -0.351 0.000 2.389 384 F HA 0.400 4.927 4.527 0.000 0.000 0.327 384 F C -2.688 172.810 175.800 -0.504 0.000 1.204 384 F CA -2.254 55.385 58.000 -0.602 0.000 1.209 384 F CB 0.697 39.402 39.000 -0.491 0.000 1.460 384 F HN 0.317 nan 8.300 nan 0.000 0.537 385 P HA 0.026 nan 4.420 nan 0.000 0.261 385 P C -0.054 177.185 177.300 -0.102 0.000 1.203 385 P CA 0.138 63.133 63.100 -0.175 0.000 0.767 385 P CB 0.594 32.201 31.700 -0.156 0.000 0.785 386 A N 3.654 126.508 122.820 0.056 0.000 2.524 386 A HA 0.352 4.672 4.320 0.000 0.000 0.250 386 A C 0.520 178.208 177.584 0.174 0.000 1.078 386 A CA 0.754 52.909 52.037 0.196 0.000 0.761 386 A CB -0.369 18.728 19.000 0.162 0.000 1.012 386 A HN 0.444 nan 8.150 nan 0.000 0.500 387 T N 1.677 116.389 114.554 0.263 0.000 3.011 387 T HA 0.475 4.825 4.350 0.000 0.000 0.303 387 T C 0.812 175.641 174.700 0.214 0.000 0.997 387 T CA 0.198 62.419 62.100 0.202 0.000 1.007 387 T CB 0.934 69.917 68.868 0.192 0.000 1.017 387 T HN 1.317 nan 8.240 nan 0.000 0.443 388 A N 3.518 126.422 122.820 0.140 0.000 2.234 388 A HA 0.199 4.519 4.320 0.000 0.000 0.216 388 A C 2.314 179.962 177.584 0.106 0.000 1.167 388 A CA 1.732 53.834 52.037 0.108 0.000 0.698 388 A CB -0.655 18.385 19.000 0.067 0.000 0.779 388 A HN 1.115 nan 8.150 nan 0.000 0.475 389 A N -0.863 122.038 122.820 0.135 0.000 2.121 389 A HA 0.405 4.725 4.320 0.000 0.000 0.218 389 A C 1.319 178.996 177.584 0.155 0.000 1.154 389 A CA 1.125 53.242 52.037 0.132 0.000 0.679 389 A CB -0.394 18.689 19.000 0.139 0.000 0.795 389 A HN 1.193 nan 8.150 nan 0.000 0.458 390 A N 0.778 123.699 122.820 0.170 0.000 2.508 390 A HA 0.628 4.948 4.320 0.000 0.000 0.336 390 A C -2.871 174.774 177.584 0.101 0.000 1.360 390 A CA -1.595 50.507 52.037 0.108 0.000 0.841 390 A CB 0.249 19.312 19.000 0.105 0.000 1.136 390 A HN 0.147 nan 8.150 nan 0.000 0.489 391 P HA 0.403 nan 4.420 nan 0.000 0.269 391 P C 1.071 178.277 177.300 -0.156 0.000 1.215 391 P CA 1.402 64.361 63.100 -0.236 0.000 0.780 391 P CB 0.906 32.325 31.700 -0.469 0.000 0.898 392 G N 0.006 108.712 108.800 -0.156 0.000 2.184 392 G HA2 -0.047 3.913 3.960 0.000 0.000 0.206 392 G HA3 -0.047 3.913 3.960 0.000 0.000 0.206 392 G C 0.385 175.072 174.900 -0.354 0.000 0.995 392 G CA -0.109 44.930 45.100 -0.101 0.000 0.651 392 G HN 0.796 nan 8.290 nan 0.000 0.511 393 A N 1.034 123.568 122.820 -0.477 0.000 2.466 393 A HA 0.585 4.905 4.320 0.000 0.000 0.238 393 A C -1.030 176.455 177.584 -0.166 0.000 1.074 393 A CA 0.046 51.788 52.037 -0.493 0.000 0.774 393 A CB 0.013 18.928 19.000 -0.141 0.000 1.015 393 A HN 0.378 nan 8.150 nan 0.000 0.498 394 P HA 0.214 nan 4.420 nan 0.000 0.286 394 P C -1.028 176.211 177.300 -0.102 0.000 1.269 394 P CA -0.077 62.986 63.100 -0.063 0.000 0.787 394 P CB 0.538 32.276 31.700 0.064 0.000 0.920 395 H N 4.010 123.178 119.070 0.162 0.000 2.782 395 H HA 0.236 4.792 4.556 0.000 0.000 0.285 395 H C -2.089 173.299 175.328 0.100 0.000 1.093 395 H CA -1.981 54.178 56.048 0.184 0.000 1.410 395 H CB 0.212 30.183 29.762 0.348 0.000 1.439 395 H HN 0.242 nan 8.280 nan 0.000 0.469 396 P HA 0.107 nan 4.420 nan 0.000 0.284 396 P C -0.470 176.814 177.300 -0.026 0.000 1.343 396 P CA -0.151 62.947 63.100 -0.004 0.000 0.826 396 P CB -0.127 31.608 31.700 0.058 0.000 0.956 397 F N 2.883 122.702 119.950 -0.219 0.000 2.385 397 F HA 0.392 4.919 4.527 0.000 0.000 0.336 397 F C 1.064 176.796 175.800 -0.113 0.000 1.100 397 F CA 0.206 58.021 58.000 -0.307 0.000 1.116 397 F CB 0.870 39.436 39.000 -0.723 0.000 1.166 397 F HN 0.353 nan 8.300 nan 0.000 0.511 398 H N 3.745 122.679 119.070 -0.227 0.000 2.637 398 H HA 0.554 5.110 4.556 0.000 0.000 0.363 398 H C -1.764 173.485 175.328 -0.132 0.000 1.131 398 H CA -0.846 55.140 56.048 -0.104 0.000 1.183 398 H CB 1.381 31.079 29.762 -0.105 0.000 1.637 398 H HN 0.616 nan 8.280 nan 0.000 0.531 399 L N 5.650 126.625 121.223 -0.413 0.000 2.341 399 L HA 0.382 4.722 4.340 0.000 0.000 0.278 399 L C -0.481 176.051 176.870 -0.563 0.000 1.005 399 L CA -0.696 53.938 54.840 -0.344 0.000 0.818 399 L CB 0.976 42.993 42.059 -0.071 0.000 1.259 399 L HN 0.770 nan 8.230 nan 0.000 0.418 400 H N 2.706 121.535 119.070 -0.402 0.000 2.505 400 H HA 0.186 4.742 4.556 0.000 0.000 0.355 400 H C 0.915 175.997 175.328 -0.410 0.000 1.179 400 H CA 0.665 56.578 56.048 -0.225 0.000 1.343 400 H CB 1.708 31.537 29.762 0.112 0.000 1.501 400 H HN 0.926 nan 8.280 nan 0.000 0.569 401 G N 1.344 109.825 108.800 -0.532 0.000 2.228 401 G HA2 -0.239 3.721 3.960 0.000 0.000 0.270 401 G HA3 -0.239 3.721 3.960 0.000 0.000 0.270 401 G C 0.135 174.314 174.900 -1.202 0.000 0.976 401 G CA 0.586 44.829 45.100 -1.428 0.000 0.636 401 G HN 0.775 nan 8.290 nan 0.000 0.542 402 H N -0.816 118.035 119.070 -0.365 0.000 3.008 402 H HA 0.682 5.238 4.556 0.000 0.000 0.354 402 H C -0.049 175.278 175.328 -0.001 0.000 1.252 402 H CA -0.109 55.712 56.048 -0.378 0.000 1.117 402 H CB 1.559 31.097 29.762 -0.373 0.000 1.857 402 H HN 0.651 nan 8.280 nan 0.000 0.547 403 A N 1.677 124.614 122.820 0.195 0.000 2.324 403 A HA 0.646 4.966 4.320 0.000 0.000 0.330 403 A C -0.872 176.873 177.584 0.268 0.000 1.165 403 A CA -0.559 51.603 52.037 0.209 0.000 0.813 403 A CB 0.159 19.358 19.000 0.332 0.000 1.197 403 A HN 0.445 nan 8.150 nan 0.000 0.484 404 F N 0.175 120.248 119.950 0.205 0.000 2.575 404 F HA 0.846 5.373 4.527 0.000 0.000 0.330 404 F C 0.188 175.844 175.800 -0.241 0.000 1.056 404 F CA -1.442 56.620 58.000 0.103 0.000 0.964 404 F CB 1.335 40.377 39.000 0.069 0.000 1.258 404 F HN 0.632 nan 8.300 nan 0.000 0.484 405 A N 1.252 123.882 122.820 -0.317 0.000 2.301 405 A HA 0.617 4.937 4.320 0.000 0.000 0.298 405 A C -0.764 176.742 177.584 -0.129 0.000 1.185 405 A CA -0.700 50.831 52.037 -0.843 0.000 0.830 405 A CB 0.521 18.896 19.000 -1.041 0.000 1.112 405 A HN 0.736 nan 8.150 nan 0.000 0.508 406 V N 5.378 125.241 119.914 -0.085 0.000 2.267 406 V HA 0.069 4.189 4.120 0.000 0.000 0.254 406 V C 1.525 177.571 176.094 -0.078 0.000 1.144 406 V CA 0.336 62.651 62.300 0.025 0.000 0.992 406 V CB 0.080 31.937 31.823 0.057 0.000 1.199 406 V HN 0.911 nan 8.190 nan 0.000 0.493 407 V N 1.818 121.677 119.914 -0.092 0.000 2.626 407 V HA 0.063 4.183 4.120 0.000 0.000 0.252 407 V C 1.036 176.960 176.094 -0.282 0.000 1.067 407 V CA 1.110 63.306 62.300 -0.173 0.000 1.081 407 V CB -0.441 31.307 31.823 -0.125 0.000 0.686 407 V HN 0.708 nan 8.190 nan 0.000 0.468 408 R N 0.153 120.486 120.500 -0.278 0.000 2.502 408 R HA 0.536 4.876 4.340 0.000 0.000 0.298 408 R C -0.894 175.274 176.300 -0.220 0.000 1.018 408 R CA -0.157 55.698 56.100 -0.407 0.000 0.899 408 R CB 1.991 31.826 30.300 -0.774 0.000 1.181 408 R HN 0.419 nan 8.270 nan 0.000 0.444 409 S N 1.721 117.319 115.700 -0.170 0.000 2.646 409 S HA 0.525 4.995 4.470 0.000 0.000 0.276 409 S C -0.183 174.367 174.600 -0.085 0.000 1.222 409 S CA -0.569 57.573 58.200 -0.096 0.000 1.014 409 S CB 1.628 64.791 63.200 -0.063 0.000 0.991 409 S HN 0.732 nan 8.310 nan 0.000 0.533 410 A N 0.637 123.422 122.820 -0.059 0.000 2.498 410 A HA 0.502 4.822 4.320 0.000 0.000 0.239 410 A C 1.386 178.961 177.584 -0.015 0.000 1.068 410 A CA 0.272 52.286 52.037 -0.038 0.000 0.766 410 A CB -1.047 17.924 19.000 -0.049 0.000 1.003 410 A HN 1.843 nan 8.150 nan 0.000 0.497 411 G N 0.076 108.873 108.800 -0.005 0.000 2.160 411 G HA2 -0.036 3.924 3.960 0.000 0.000 0.251 411 G HA3 -0.036 3.924 3.960 0.000 0.000 0.251 411 G C 0.247 175.141 174.900 -0.009 0.000 1.008 411 G CA 0.868 45.972 45.100 0.005 0.000 0.724 411 G HN 1.993 nan 8.290 nan 0.000 0.514 412 S N -1.538 114.141 115.700 -0.034 0.000 2.541 412 S HA 0.712 5.182 4.470 0.000 0.000 0.271 412 S C 0.819 175.373 174.600 -0.076 0.000 1.133 412 S CA 0.913 59.084 58.200 -0.049 0.000 0.876 412 S CB 1.571 64.732 63.200 -0.065 0.000 1.105 412 S HN 1.220 nan 8.310 nan 0.000 0.470 413 T N 0.440 114.965 114.554 -0.048 0.000 3.092 413 T HA 0.345 4.695 4.350 0.000 0.000 0.258 413 T C 0.287 174.972 174.700 -0.024 0.000 1.031 413 T CA -0.097 61.988 62.100 -0.025 0.000 0.925 413 T CB -0.135 68.755 68.868 0.038 0.000 1.036 413 T HN 0.332 nan 8.240 nan 0.000 0.544 414 V N 1.865 121.728 119.914 -0.086 0.000 2.732 414 V HA 0.369 4.489 4.120 0.000 0.000 0.297 414 V C -0.764 175.187 176.094 -0.239 0.000 1.060 414 V CA -0.723 61.543 62.300 -0.057 0.000 1.038 414 V CB 0.479 32.279 31.823 -0.038 0.000 1.003 414 V HN 0.440 nan 8.190 nan 0.000 0.481 415 Y N 2.958 123.175 120.300 -0.139 0.000 2.388 415 Y HA 0.375 4.925 4.550 0.000 0.000 0.328 415 Y C 0.377 175.999 175.900 -0.463 0.000 0.963 415 Y CA -0.713 57.185 58.100 -0.336 0.000 1.240 415 Y CB 1.058 39.312 38.460 -0.342 0.000 1.118 415 Y HN 0.568 nan 8.280 nan 0.000 0.484 416 N N 2.959 121.463 118.700 -0.326 0.000 2.462 416 N HA 0.089 4.829 4.740 0.000 0.000 0.242 416 N C -0.601 174.762 175.510 -0.244 0.000 1.010 416 N CA -0.145 52.788 53.050 -0.195 0.000 0.939 416 N CB 0.378 38.833 38.487 -0.055 0.000 1.127 416 N HN 0.510 nan 8.380 nan 0.000 0.509 417 Y N 1.144 121.504 120.300 0.100 0.000 2.457 417 Y HA 0.158 4.708 4.550 0.000 0.000 0.263 417 Y C 1.419 177.372 175.900 0.088 0.000 1.164 417 Y CA -0.201 57.950 58.100 0.086 0.000 1.274 417 Y CB 0.545 39.049 38.460 0.073 0.000 1.097 417 Y HN 0.539 nan 8.280 nan 0.000 0.523 418 D N -0.926 119.588 120.400 0.190 0.000 2.514 418 D HA 0.025 4.665 4.640 0.000 0.000 0.249 418 D C 1.062 177.451 176.300 0.148 0.000 1.036 418 D CA 0.733 54.826 54.000 0.156 0.000 0.911 418 D CB 0.168 41.040 40.800 0.119 0.000 1.145 418 D HN 0.121 nan 8.370 nan 0.000 0.495 419 N N -0.374 118.420 118.700 0.157 0.000 2.197 419 N HA 0.174 4.914 4.740 0.000 0.000 0.228 419 N C -2.568 173.162 175.510 0.366 0.000 1.212 419 N CA -0.837 52.349 53.050 0.228 0.000 0.883 419 N CB 1.164 39.718 38.487 0.111 0.000 1.107 419 N HN 0.174 nan 8.380 nan 0.000 0.519 420 P HA 0.064 nan 4.420 nan 0.000 0.268 420 P C -0.126 177.245 177.300 0.120 0.000 1.205 420 P CA -0.083 63.071 63.100 0.090 0.000 0.771 420 P CB 0.762 32.444 31.700 -0.030 0.000 0.858 421 I N 1.101 121.706 120.570 0.058 0.000 3.004 421 I HA 0.303 4.473 4.170 0.000 0.000 0.287 421 I C 0.507 176.673 176.117 0.082 0.000 1.144 421 I CA -0.396 60.985 61.300 0.135 0.000 1.353 421 I CB -0.793 37.243 38.000 0.059 0.000 1.417 421 I HN 0.175 nan 8.210 nan 0.000 0.602 422 F N 2.013 121.959 119.950 -0.008 0.000 2.492 422 F HA 0.803 5.330 4.527 0.000 0.000 0.327 422 F C 0.496 176.189 175.800 -0.179 0.000 1.079 422 F CA -0.503 57.463 58.000 -0.057 0.000 0.967 422 F CB 1.535 40.532 39.000 -0.004 0.000 1.169 422 F HN 0.650 nan 8.300 nan 0.000 0.472 423 R N 0.138 120.475 120.500 -0.272 0.000 2.764 423 R HA 0.361 4.701 4.340 0.000 0.000 0.276 423 R C -1.604 174.177 176.300 -0.866 0.000 1.021 423 R CA -0.713 55.138 56.100 -0.414 0.000 0.870 423 R CB 1.035 31.139 30.300 -0.326 0.000 1.293 423 R HN 0.543 nan 8.270 nan 0.000 0.469 424 D N -0.557 119.544 120.400 -0.498 0.000 2.441 424 D HA 0.195 4.835 4.640 0.000 0.000 0.210 424 D C -0.266 176.162 176.300 0.214 0.000 1.102 424 D CA -0.028 53.816 54.000 -0.261 0.000 0.840 424 D CB 0.920 41.792 40.800 0.120 0.000 0.990 424 D HN 0.151 nan 8.370 nan 0.000 0.505 425 V N 0.882 120.846 119.914 0.084 0.000 2.577 425 V HA 0.581 4.701 4.120 0.000 0.000 0.303 425 V C -0.985 175.220 176.094 0.184 0.000 1.042 425 V CA -1.069 61.368 62.300 0.228 0.000 0.872 425 V CB 2.200 34.059 31.823 0.061 0.000 0.998 425 V HN 0.050 nan 8.190 nan 0.000 0.423 426 V N 3.979 124.031 119.914 0.229 0.000 2.760 426 V HA 0.601 4.721 4.120 0.000 0.000 0.309 426 V C 0.074 176.068 176.094 -0.168 0.000 1.077 426 V CA -0.220 62.119 62.300 0.066 0.000 0.910 426 V CB 2.558 34.517 31.823 0.226 0.000 1.008 426 V HN 0.972 nan 8.190 nan 0.000 0.424 427 S N 3.546 119.001 115.700 -0.408 0.000 2.510 427 S HA 0.164 4.634 4.470 0.000 0.000 0.279 427 S C 1.074 175.510 174.600 -0.273 0.000 1.284 427 S CA 0.341 58.174 58.200 -0.612 0.000 1.059 427 S CB 0.756 63.175 63.200 -1.301 0.000 0.901 427 S HN 1.200 nan 8.310 nan 0.000 0.491 428 T N 2.662 117.141 114.554 -0.125 0.000 3.278 428 T HA 0.479 4.829 4.350 0.000 0.000 0.251 428 T C 1.259 175.990 174.700 0.052 0.000 1.039 428 T CA 0.077 62.172 62.100 -0.010 0.000 0.935 428 T CB -1.032 67.907 68.868 0.117 0.000 1.034 428 T HN 1.346 nan 8.240 nan 0.000 0.575 429 G N 1.689 110.478 108.800 -0.019 0.000 2.578 429 G HA2 -0.078 3.882 3.960 0.000 0.000 0.275 429 G HA3 -0.078 3.882 3.960 0.000 0.000 0.275 429 G C -0.023 174.920 174.900 0.073 0.000 1.271 429 G CA 0.376 45.489 45.100 0.022 0.000 0.941 429 G HN 1.610 nan 8.290 nan 0.000 0.564 430 T N -3.701 110.897 114.554 0.074 0.000 2.843 430 T HA 0.685 5.035 4.350 0.000 0.000 0.302 430 T C -2.239 172.509 174.700 0.079 0.000 1.232 430 T CA -0.509 61.642 62.100 0.084 0.000 1.009 430 T CB 2.357 71.259 68.868 0.057 0.000 1.254 430 T HN 0.321 nan 8.240 nan 0.000 0.504 431 P HA 0.089 nan 4.420 nan 0.000 0.223 431 P C 1.276 178.606 177.300 0.050 0.000 1.144 431 P CA 1.055 64.198 63.100 0.071 0.000 0.783 431 P CB -0.196 31.552 31.700 0.080 0.000 0.771 432 A N -0.768 122.077 122.820 0.041 0.000 2.178 432 A HA 0.280 4.601 4.320 0.000 0.000 0.211 432 A C 1.987 179.589 177.584 0.030 0.000 1.157 432 A CA 1.049 53.106 52.037 0.032 0.000 0.780 432 A CB -0.720 18.296 19.000 0.026 0.000 0.828 432 A HN 0.171 nan 8.150 nan 0.000 0.476 433 A N -1.471 121.369 122.820 0.034 0.000 2.267 433 A HA 0.438 4.758 4.320 0.000 0.000 0.213 433 A C 1.691 179.293 177.584 0.029 0.000 1.192 433 A CA 0.963 53.017 52.037 0.029 0.000 0.851 433 A CB -0.739 18.279 19.000 0.030 0.000 0.881 433 A HN 1.681 nan 8.150 nan 0.000 0.494 434 G N 0.511 109.332 108.800 0.035 0.000 2.225 434 G HA2 -0.249 3.711 3.960 0.000 0.000 0.267 434 G HA3 -0.249 3.711 3.960 0.000 0.000 0.267 434 G C -0.268 174.651 174.900 0.031 0.000 1.024 434 G CA 0.329 45.450 45.100 0.035 0.000 0.784 434 G HN 0.495 nan 8.290 nan 0.000 0.507 435 D N -0.347 120.072 120.400 0.031 0.000 2.443 435 D HA 0.210 4.850 4.640 0.000 0.000 0.234 435 D C 0.913 177.223 176.300 0.016 0.000 1.172 435 D CA 0.554 54.565 54.000 0.018 0.000 0.878 435 D CB 0.553 41.369 40.800 0.026 0.000 1.204 435 D HN 0.271 nan 8.370 nan 0.000 0.453 436 N N 0.929 119.625 118.700 -0.006 0.000 2.581 436 N HA 0.001 4.741 4.740 0.000 0.000 0.274 436 N C -1.387 174.109 175.510 -0.023 0.000 1.629 436 N CA -0.236 52.810 53.050 -0.006 0.000 0.884 436 N CB 0.054 38.557 38.487 0.027 0.000 1.423 436 N HN 0.006 nan 8.380 nan 0.000 0.507 437 V N 1.212 121.119 119.914 -0.011 0.000 2.780 437 V HA -0.032 4.088 4.120 0.000 0.000 0.301 437 V C 0.491 176.620 176.094 0.059 0.000 1.168 437 V CA 0.896 63.193 62.300 -0.006 0.000 1.305 437 V CB 0.072 31.901 31.823 0.010 0.000 0.858 437 V HN 0.381 nan 8.190 nan 0.000 0.502 438 T N 6.440 120.993 114.554 -0.003 0.000 2.886 438 T HA 0.718 5.068 4.350 0.000 0.000 0.292 438 T C -0.336 174.377 174.700 0.022 0.000 1.012 438 T CA -0.357 61.756 62.100 0.022 0.000 0.982 438 T CB 1.509 70.410 68.868 0.055 0.000 1.018 438 T HN 0.700 nan 8.240 nan 0.000 0.451 439 I N -0.341 120.246 120.570 0.029 0.000 3.002 439 I HA 0.853 5.023 4.170 0.000 0.000 0.310 439 I C -1.028 175.135 176.117 0.076 0.000 1.087 439 I CA -1.377 59.940 61.300 0.028 0.000 1.017 439 I CB 2.391 40.275 38.000 -0.194 0.000 1.226 439 I HN 0.394 nan 8.210 nan 0.000 0.443 440 R N 2.560 123.143 120.500 0.139 0.000 2.698 440 R HA 0.736 5.076 4.340 0.000 0.000 0.275 440 R C -1.810 174.671 176.300 0.302 0.000 1.001 440 R CA -0.632 55.548 56.100 0.134 0.000 0.896 440 R CB 2.673 33.009 30.300 0.060 0.000 1.218 440 R HN 0.753 nan 8.270 nan 0.000 0.462 441 F N -2.574 117.382 119.950 0.011 0.000 2.693 441 F HA 0.750 5.277 4.527 0.000 0.000 0.309 441 F C -0.748 174.996 175.800 -0.094 0.000 1.129 441 F CA -1.174 56.828 58.000 0.004 0.000 0.948 441 F CB 0.911 39.896 39.000 -0.025 0.000 1.315 441 F HN 0.484 nan 8.300 nan 0.000 0.447 442 R N 0.000 120.485 120.500 -0.024 0.000 2.407 442 R HA 0.669 5.009 4.340 0.000 0.000 0.303 442 R C -0.159 176.049 176.300 -0.153 0.000 0.981 442 R CA -0.430 55.592 56.100 -0.130 0.000 0.905 442 R CB 0.142 30.431 30.300 -0.018 0.000 1.099 442 R HN 1.019 nan 8.270 nan 0.000 0.459 443 T N -0.022 114.435 114.554 -0.162 0.000 3.182 443 T HA 0.150 4.500 4.350 0.000 0.000 0.274 443 T C -0.097 174.666 174.700 0.104 0.000 0.997 443 T CA -0.011 62.075 62.100 -0.024 0.000 1.082 443 T CB 0.042 68.910 68.868 0.001 0.000 1.005 443 T HN 0.729 nan 8.240 nan 0.000 0.688 444 D N 1.352 121.887 120.400 0.225 0.000 2.479 444 D HA 0.052 4.692 4.640 0.000 0.000 0.218 444 D C -0.069 176.353 176.300 0.202 0.000 1.177 444 D CA -0.521 53.585 54.000 0.178 0.000 0.830 444 D CB 0.176 41.038 40.800 0.102 0.000 1.014 444 D HN 0.403 nan 8.370 nan 0.000 0.503 445 N N 1.335 120.224 118.700 0.314 0.000 2.607 445 N HA 0.289 5.029 4.740 0.000 0.000 0.271 445 N C -3.036 172.762 175.510 0.480 0.000 1.142 445 N CA -1.482 51.713 53.050 0.242 0.000 0.810 445 N CB 2.035 40.433 38.487 -0.149 0.000 1.306 445 N HN -0.186 nan 8.380 nan 0.000 0.536 446 P HA 0.335 nan 4.420 nan 0.000 0.268 446 P C 0.018 177.473 177.300 0.260 0.000 1.204 446 P CA 0.486 63.762 63.100 0.294 0.000 0.768 446 P CB 0.678 32.481 31.700 0.171 0.000 0.842 447 G N 3.268 112.139 108.800 0.119 0.000 2.339 447 G HA2 0.110 4.070 3.960 0.000 0.000 0.381 447 G HA3 0.110 4.070 3.960 0.000 0.000 0.381 447 G C -3.398 171.182 174.900 -0.532 0.000 1.400 447 G CA -0.939 44.004 45.100 -0.262 0.000 1.002 447 G HN 0.319 nan 8.290 nan 0.000 0.633 448 P HA 0.467 nan 4.420 nan 0.000 0.287 448 P C -1.190 175.708 177.300 -0.670 0.000 1.281 448 P CA -0.089 62.769 63.100 -0.404 0.000 0.781 448 P CB 0.417 31.979 31.700 -0.230 0.000 0.903 449 W N 3.044 124.411 121.300 0.111 0.000 2.785 449 W HA 0.399 5.059 4.660 0.000 0.000 0.333 449 W C -0.190 176.359 176.519 0.049 0.000 1.062 449 W CA -0.854 56.534 57.345 0.071 0.000 1.233 449 W CB 1.243 30.812 29.460 0.183 0.000 1.413 449 W HN 0.216 nan 8.180 nan 0.000 0.489 450 F N 3.558 123.459 119.950 -0.081 0.000 2.389 450 F HA 0.540 5.067 4.527 0.000 0.000 0.337 450 F C -0.286 175.450 175.800 -0.107 0.000 1.112 450 F CA -1.331 56.535 58.000 -0.223 0.000 1.192 450 F CB 0.998 39.705 39.000 -0.489 0.000 1.185 450 F HN 0.101 nan 8.300 nan 0.000 0.552 451 L N 5.659 126.820 121.223 -0.104 0.000 2.482 451 L HA 0.441 4.781 4.340 0.000 0.000 0.269 451 L C -1.490 175.164 176.870 -0.360 0.000 0.967 451 L CA -0.177 54.487 54.840 -0.293 0.000 0.851 451 L CB 1.251 43.025 42.059 -0.476 0.000 1.242 451 L HN 0.803 nan 8.230 nan 0.000 0.404 452 H N 1.613 120.421 119.070 -0.437 0.000 2.932 452 H HA 0.511 5.067 4.556 0.000 0.000 0.307 452 H C -1.052 173.530 175.328 -1.243 0.000 1.391 452 H CA -0.909 54.664 56.048 -0.793 0.000 1.130 452 H CB 0.706 29.912 29.762 -0.927 0.000 1.836 452 H HN 0.705 nan 8.280 nan 0.000 0.522 453 C N 1.557 119.990 119.300 -1.445 0.000 2.593 453 C HA 0.156 4.616 4.460 0.000 0.000 0.409 453 C C 1.265 176.078 174.990 -0.294 0.000 1.304 453 C CA -0.116 58.164 59.018 -1.230 0.000 2.007 453 C CB -0.711 26.542 27.740 -0.811 0.000 2.614 453 C HN 0.992 nan 8.230 nan 0.000 0.585 454 H N 3.952 122.909 119.070 -0.189 0.000 2.536 454 H HA 0.286 4.842 4.556 0.000 0.000 0.276 454 H C 0.377 175.723 175.328 0.030 0.000 1.019 454 H CA 0.371 56.452 56.048 0.056 0.000 1.159 454 H CB 0.002 29.822 29.762 0.097 0.000 1.373 454 H HN 0.651 nan 8.280 nan 0.000 0.584 455 I N 1.570 122.149 120.570 0.015 0.000 2.278 455 I HA -0.081 4.089 4.170 0.000 0.000 0.296 455 I C 1.325 177.340 176.117 -0.170 0.000 1.121 455 I CA -0.151 61.083 61.300 -0.110 0.000 1.267 455 I CB 0.682 38.402 38.000 -0.467 0.000 1.447 455 I HN -0.003 nan 8.210 nan 0.000 0.509 456 D N 4.495 124.751 120.400 -0.240 0.000 2.170 456 D HA -0.258 4.382 4.640 0.000 0.000 0.193 456 D C 1.744 177.854 176.300 -0.317 0.000 1.004 456 D CA 2.127 55.875 54.000 -0.419 0.000 0.860 456 D CB 0.047 40.354 40.800 -0.821 0.000 0.931 456 D HN 0.468 nan 8.370 nan 0.000 0.448 457 F N -0.451 119.502 119.950 0.004 0.000 2.269 457 F HA -0.062 4.465 4.527 0.000 0.000 0.301 457 F C 2.352 178.466 175.800 0.523 0.000 1.082 457 F CA 1.092 59.212 58.000 0.200 0.000 1.360 457 F CB -0.596 38.582 39.000 0.298 0.000 1.041 457 F HN 0.309 nan 8.300 nan 0.000 0.512 458 H N -1.270 118.022 119.070 0.370 0.000 2.465 458 H HA 0.031 4.587 4.556 0.000 0.000 0.289 458 H C 2.343 177.783 175.328 0.186 0.000 1.022 458 H CA 0.387 56.589 56.048 0.256 0.000 1.340 458 H CB 0.087 29.709 29.762 -0.233 0.000 1.437 458 H HN 0.214 nan 8.280 nan 0.000 0.539 459 L N 1.408 122.728 121.223 0.161 0.000 2.027 459 L HA -0.188 4.152 4.340 0.000 0.000 0.206 459 L C 2.768 179.723 176.870 0.142 0.000 1.074 459 L CA 1.733 56.583 54.840 0.015 0.000 0.745 459 L CB -0.520 41.399 42.059 -0.233 0.000 0.898 459 L HN 0.417 nan 8.230 nan 0.000 0.433 460 E N -0.012 120.271 120.200 0.138 0.000 2.209 460 E HA -0.173 4.177 4.350 0.000 0.000 0.196 460 E C 1.709 178.446 176.600 0.228 0.000 0.993 460 E CA 1.302 57.796 56.400 0.157 0.000 0.819 460 E CB -0.766 28.991 29.700 0.096 0.000 0.745 460 E HN 0.712 nan 8.360 nan 0.000 0.477 461 A N -1.159 121.878 122.820 0.361 0.000 2.370 461 A HA 0.534 4.854 4.320 0.000 0.000 0.238 461 A C 2.009 179.821 177.584 0.379 0.000 1.289 461 A CA 1.033 53.317 52.037 0.412 0.000 0.885 461 A CB -0.571 18.863 19.000 0.723 0.000 0.961 461 A HN 1.497 nan 8.150 nan 0.000 0.499 462 G N -1.664 107.344 108.800 0.346 0.000 2.157 462 G HA2 -0.256 3.704 3.960 0.000 0.000 0.239 462 G HA3 -0.256 3.704 3.960 0.000 0.000 0.239 462 G C 0.103 175.254 174.900 0.418 0.000 0.982 462 G CA 0.138 45.442 45.100 0.341 0.000 0.650 462 G HN 0.568 nan 8.290 nan 0.000 0.527 463 F N 2.392 122.451 119.950 0.182 0.000 2.651 463 F HA 0.645 5.172 4.527 0.000 0.000 0.369 463 F C 0.744 176.520 175.800 -0.040 0.000 1.187 463 F CA -0.449 57.572 58.000 0.035 0.000 1.335 463 F CB -0.693 38.094 39.000 -0.355 0.000 1.707 463 F HN 0.630 nan 8.300 nan 0.000 0.637 464 A N 1.131 124.014 122.820 0.105 0.000 2.602 464 A HA 0.873 5.194 4.320 0.000 0.000 0.290 464 A C -1.617 175.955 177.584 -0.020 0.000 1.114 464 A CA -0.636 51.292 52.037 -0.181 0.000 0.683 464 A CB 1.690 20.292 19.000 -0.662 0.000 1.281 464 A HN 0.088 nan 8.150 nan 0.000 0.416 465 V N -0.737 119.109 119.914 -0.113 0.000 3.216 465 V HA 0.621 4.741 4.120 0.000 0.000 0.302 465 V C -1.104 175.027 176.094 0.063 0.000 1.286 465 V CA -0.474 61.877 62.300 0.084 0.000 1.048 465 V CB 2.324 34.207 31.823 0.100 0.000 1.081 465 V HN 0.915 nan 8.190 nan 0.000 0.442 466 V N 2.548 122.585 119.914 0.205 0.000 2.604 466 V HA 0.590 4.710 4.120 0.000 0.000 0.305 466 V C -1.316 174.996 176.094 0.363 0.000 1.043 466 V CA -0.557 61.869 62.300 0.211 0.000 0.888 466 V CB 1.870 33.806 31.823 0.189 0.000 0.995 466 V HN 0.612 nan 8.190 nan 0.000 0.429 467 F N 2.865 123.000 119.950 0.309 0.000 2.375 467 F HA 0.659 5.186 4.527 0.000 0.000 0.361 467 F C 0.597 176.554 175.800 0.263 0.000 1.117 467 F CA -1.523 56.673 58.000 0.326 0.000 1.037 467 F CB 1.505 40.725 39.000 0.367 0.000 1.192 467 F HN 0.524 nan 8.300 nan 0.000 0.452 468 A N 3.615 126.677 122.820 0.403 0.000 2.506 468 A HA 0.286 4.606 4.320 0.000 0.000 0.320 468 A C 0.280 178.004 177.584 0.233 0.000 1.424 468 A CA -0.460 51.714 52.037 0.230 0.000 1.044 468 A CB -0.374 18.726 19.000 0.166 0.000 1.140 468 A HN 0.725 nan 8.150 nan 0.000 0.538 469 E N 2.683 123.049 120.200 0.276 0.000 2.223 469 E HA 0.213 4.563 4.350 0.000 0.000 0.282 469 E C -0.618 176.102 176.600 0.199 0.000 1.046 469 E CA -0.259 56.317 56.400 0.292 0.000 0.857 469 E CB 0.323 30.334 29.700 0.518 0.000 1.055 469 E HN 0.670 nan 8.360 nan 0.000 0.409 470 D N 4.484 124.970 120.400 0.145 0.000 2.904 470 D HA -0.227 4.413 4.640 0.000 0.000 0.231 470 D C 0.582 176.934 176.300 0.087 0.000 1.185 470 D CA 0.578 54.642 54.000 0.106 0.000 0.783 470 D CB -0.934 39.935 40.800 0.115 0.000 0.961 470 D HN 0.631 nan 8.370 nan 0.000 0.409 471 I N 0.637 121.252 120.570 0.075 0.000 2.145 471 I HA -0.246 3.924 4.170 0.000 0.000 0.244 471 I C -0.466 175.678 176.117 0.046 0.000 1.075 471 I CA 1.239 62.573 61.300 0.057 0.000 1.332 471 I CB -1.059 36.973 38.000 0.055 0.000 1.033 471 I HN 0.347 nan 8.210 nan 0.000 0.410 472 P HA -0.159 nan 4.420 nan 0.000 0.215 472 P C 0.893 178.215 177.300 0.038 0.000 1.157 472 P CA 1.523 64.645 63.100 0.037 0.000 0.868 472 P CB -0.054 31.667 31.700 0.035 0.000 0.788 473 D N -1.486 118.942 120.400 0.047 0.000 2.347 473 D HA -0.037 4.603 4.640 0.000 0.000 0.213 473 D C 1.908 178.235 176.300 0.046 0.000 0.985 473 D CA 0.337 54.366 54.000 0.049 0.000 0.879 473 D CB -0.540 40.297 40.800 0.061 0.000 0.919 473 D HN -0.022 nan 8.370 nan 0.000 0.526 474 V N 1.973 121.911 119.914 0.040 0.000 2.220 474 V HA -0.341 3.779 4.120 0.000 0.000 0.250 474 V C 2.662 178.758 176.094 0.002 0.000 1.056 474 V CA 2.290 64.601 62.300 0.018 0.000 1.016 474 V CB -0.983 30.840 31.823 0.001 0.000 0.639 474 V HN 0.251 nan 8.190 nan 0.000 0.446 475 A N 0.560 123.381 122.820 0.002 0.000 1.883 475 A HA -0.253 4.067 4.320 0.000 0.000 0.217 475 A C 2.532 180.114 177.584 -0.003 0.000 1.186 475 A CA 2.881 54.913 52.037 -0.008 0.000 0.624 475 A CB -0.891 18.111 19.000 0.003 0.000 0.822 475 A HN 0.748 nan 8.150 nan 0.000 0.444 476 S N -0.035 115.673 115.700 0.012 0.000 2.371 476 S HA 0.112 4.582 4.470 0.000 0.000 0.224 476 S C 2.095 176.713 174.600 0.029 0.000 1.029 476 S CA 1.212 59.423 58.200 0.019 0.000 0.978 476 S CB -0.684 62.531 63.200 0.024 0.000 0.833 476 S HN 0.926 nan 8.310 nan 0.000 0.466 477 A N 2.177 125.020 122.820 0.039 0.000 2.015 477 A HA 0.110 4.430 4.320 0.000 0.000 0.219 477 A C 0.876 178.500 177.584 0.067 0.000 1.163 477 A CA 1.032 53.104 52.037 0.059 0.000 0.646 477 A CB -0.581 18.464 19.000 0.075 0.000 0.806 477 A HN 0.657 nan 8.150 nan 0.000 0.448 478 N N 0.317 119.044 118.700 0.046 0.000 3.012 478 N HA 0.359 5.099 4.740 0.000 0.000 0.270 478 N C -3.111 172.424 175.510 0.042 0.000 1.469 478 N CA -1.146 51.950 53.050 0.076 0.000 0.928 478 N CB 0.799 39.311 38.487 0.043 0.000 1.219 478 N HN 0.121 nan 8.380 nan 0.000 0.492 479 P HA -0.049 nan 4.420 nan 0.000 0.264 479 P C -0.482 176.694 177.300 -0.207 0.000 1.193 479 P CA -0.216 62.852 63.100 -0.053 0.000 0.763 479 P CB 0.658 32.352 31.700 -0.011 0.000 0.810 480 V N 2.538 122.227 119.914 -0.376 0.000 2.435 480 V HA 0.631 4.751 4.120 0.000 0.000 0.290 480 V C -2.040 173.760 176.094 -0.491 0.000 1.030 480 V CA -2.444 59.409 62.300 -0.745 0.000 0.881 480 V CB 1.052 32.391 31.823 -0.806 0.000 0.983 480 V HN 0.418 nan 8.190 nan 0.000 0.445 481 P HA 0.303 nan 4.420 nan 0.000 0.272 481 P C 0.916 178.149 177.300 -0.111 0.000 1.223 481 P CA 0.457 63.351 63.100 -0.343 0.000 0.784 481 P CB 1.202 32.626 31.700 -0.459 0.000 0.923 482 Q N 2.166 121.936 119.800 -0.050 0.000 2.096 482 Q HA -0.242 4.098 4.340 0.000 0.000 0.208 482 Q C 2.303 178.340 176.000 0.062 0.000 0.993 482 Q CA 3.124 58.934 55.803 0.012 0.000 0.862 482 Q CB -1.790 26.948 28.738 0.001 0.000 0.915 482 Q HN 0.680 nan 8.270 nan 0.000 0.416 483 A N -0.873 122.003 122.820 0.093 0.000 1.948 483 A HA -0.140 4.180 4.320 0.000 0.000 0.220 483 A C 2.003 179.752 177.584 0.275 0.000 1.177 483 A CA 1.745 53.907 52.037 0.209 0.000 0.636 483 A CB -0.907 18.260 19.000 0.278 0.000 0.815 483 A HN 0.917 nan 8.150 nan 0.000 0.449 484 W N 1.654 123.030 121.300 0.127 0.000 2.381 484 W HA -0.190 4.470 4.660 0.000 0.000 0.301 484 W C 2.507 178.947 176.519 -0.132 0.000 1.205 484 W CA 2.322 59.636 57.345 -0.051 0.000 1.285 484 W CB -0.207 29.194 29.460 -0.099 0.000 1.133 484 W HN 0.398 nan 8.180 nan 0.000 0.521 485 S N -0.799 114.977 115.700 0.128 0.000 2.515 485 S HA -0.129 4.341 4.470 0.000 0.000 0.231 485 S C 1.143 175.647 174.600 -0.159 0.000 0.987 485 S CA 1.313 59.495 58.200 -0.029 0.000 0.936 485 S CB -0.382 62.892 63.200 0.125 0.000 0.766 485 S HN 0.248 nan 8.310 nan 0.000 0.528 486 D N 0.960 121.275 120.400 -0.141 0.000 2.327 486 D HA 0.158 4.798 4.640 0.000 0.000 0.205 486 D C 1.702 177.865 176.300 -0.228 0.000 0.989 486 D CA 0.042 53.957 54.000 -0.141 0.000 0.873 486 D CB -0.198 40.558 40.800 -0.074 0.000 0.955 486 D HN 0.199 nan 8.370 nan 0.000 0.515 487 L N 1.256 122.267 121.223 -0.354 0.000 1.978 487 L HA -0.238 4.102 4.340 0.000 0.000 0.218 487 L C 2.543 179.230 176.870 -0.304 0.000 1.075 487 L CA 1.417 56.004 54.840 -0.423 0.000 0.767 487 L CB -1.254 40.386 42.059 -0.698 0.000 0.890 487 L HN 0.150 nan 8.230 nan 0.000 0.434 488 c N -0.834 117.563 118.600 -0.338 0.000 2.432 488 c HA -0.111 4.459 4.570 0.000 0.000 0.277 488 c C 0.367 174.418 174.090 -0.065 0.000 1.249 488 c CA 0.664 56.888 56.329 -0.175 0.000 1.725 488 c CB -1.631 40.750 42.510 -0.215 0.000 2.028 488 c HN 0.391 nan 8.230 nan 0.000 0.477 489 P HA -0.132 nan 4.420 nan 0.000 0.215 489 P C 1.784 179.049 177.300 -0.059 0.000 1.153 489 P CA 2.269 65.329 63.100 -0.066 0.000 0.853 489 P CB -0.255 31.401 31.700 -0.073 0.000 0.788 490 T N -2.658 111.840 114.554 -0.093 0.000 2.904 490 T HA -0.185 4.165 4.350 0.000 0.000 0.267 490 T C 1.763 176.431 174.700 -0.053 0.000 1.059 490 T CA 0.840 62.873 62.100 -0.113 0.000 1.137 490 T CB -0.811 67.891 68.868 -0.275 0.000 0.879 490 T HN -0.021 nan 8.240 nan 0.000 0.467 491 Y N 1.475 121.696 120.300 -0.132 0.000 2.243 491 Y HA 0.066 4.616 4.550 0.000 0.000 0.293 491 Y C 2.050 177.936 175.900 -0.023 0.000 1.124 491 Y CA 1.554 59.611 58.100 -0.072 0.000 1.159 491 Y CB -0.174 38.233 38.460 -0.088 0.000 1.008 491 Y HN 0.216 nan 8.280 nan 0.000 0.527 492 D N 0.105 120.502 120.400 -0.005 0.000 2.264 492 D HA -0.091 4.549 4.640 0.000 0.000 0.208 492 D C 2.083 178.318 176.300 -0.109 0.000 0.966 492 D CA 1.135 55.099 54.000 -0.059 0.000 0.864 492 D CB -0.235 40.581 40.800 0.026 0.000 0.933 492 D HN 0.489 nan 8.370 nan 0.000 0.499 493 A N 0.947 123.711 122.820 -0.093 0.000 2.066 493 A HA -0.067 4.253 4.320 0.000 0.000 0.218 493 A C 1.290 178.816 177.584 -0.097 0.000 1.157 493 A CA 0.365 52.357 52.037 -0.075 0.000 0.670 493 A CB 0.018 18.990 19.000 -0.047 0.000 0.804 493 A HN -0.021 nan 8.150 nan 0.000 0.453 494 R N 1.874 122.281 120.500 -0.155 0.000 2.623 494 R HA 0.112 4.452 4.340 0.000 0.000 0.271 494 R C -0.848 175.357 176.300 -0.159 0.000 1.043 494 R CA -0.002 56.003 56.100 -0.159 0.000 1.083 494 R CB 0.017 30.176 30.300 -0.235 0.000 0.974 494 R HN 0.384 nan 8.270 nan 0.000 0.436 495 D N 3.362 123.694 120.400 -0.114 0.000 2.341 495 D HA 0.075 4.715 4.640 0.000 0.000 0.245 495 D C -1.348 174.879 176.300 -0.122 0.000 1.106 495 D CA -1.494 52.443 54.000 -0.104 0.000 0.905 495 D CB 1.016 41.766 40.800 -0.084 0.000 1.202 495 D HN 0.125 nan 8.370 nan 0.000 0.426 496 P HA -0.241 nan 4.420 nan 0.000 0.220 496 P C 1.257 178.470 177.300 -0.144 0.000 1.155 496 P CA 1.882 64.933 63.100 -0.081 0.000 0.880 496 P CB 0.244 31.910 31.700 -0.056 0.000 0.790 497 S N -2.738 112.806 115.700 -0.259 0.000 2.468 497 S HA 0.011 4.481 4.470 0.000 0.000 0.226 497 S C 1.523 175.892 174.600 -0.385 0.000 1.051 497 S CA 0.319 58.170 58.200 -0.582 0.000 0.943 497 S CB -0.975 61.963 63.200 -0.435 0.000 0.810 497 S HN 0.055 nan 8.310 nan 0.000 0.509 498 D N 2.394 122.684 120.400 -0.183 0.000 2.389 498 D HA 0.017 4.657 4.640 0.000 0.000 0.250 498 D C 0.498 176.776 176.300 -0.037 0.000 1.136 498 D CA 0.357 54.304 54.000 -0.088 0.000 0.945 498 D CB -0.120 40.643 40.800 -0.062 0.000 0.890 498 D HN 0.434 nan 8.370 nan 0.000 0.525 499 Q N 0.000 119.784 119.800 -0.026 0.000 2.315 499 Q HA 0.000 4.340 4.340 0.000 0.000 0.214 499 Q CA 0.000 55.846 55.803 0.072 0.000 1.022 499 Q CB 0.000 28.893 28.738 0.259 0.000 1.108 499 Q HN 0.000 nan 8.270 nan 0.000 0.481