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 3dp8_1_A DATA FIRST_RESID 2 DATA SEQUENCE APDEITTAWP VNVGPLNPHL YTPNQMFAQS MVYEPLVKYQ ADGSVIPWLA DATA SEQUENCE KSWTHSEDGK TWTFTLRDDV KFSNGEPFDA EAAAENFRAV LDNRQRHAWL DATA SEQUENCE ELANQIVDVK ALSKTELQIT LKSAYYPFLQ ELALPRPFRF IAPSQFKNHE DATA SEQUENCE TMNGIKAPIG TGPWILQESK LNQYDVFVRN ENYWGEKPAI KKITFNVIPD DATA SEQUENCE PTTRAVAFET GDIDLLYGNE GLLPLDTFAR FSQNPAYHTQ LSQPIETVML DATA SEQUENCE ALNTAKAPTN ELAVREALNY AVNKKSLIDN ALYGTQQVAD TLFAPSVPYA DATA SEQUENCE NLGLKPSQYD PQKAKALLEK AGWTLPAGKD IREKNGQPLR IELSFIGTDA DATA SEQUENCE LSKSMAEIIQ ADMRQIGADV SLIGEEESSI YARQRDGRFG MIFHRTWGAP DATA SEQUENCE YDPHAFLSSM RVPSHADFQA QQGLADKPLI DKEIGEVLAT HDETQRQALY DATA SEQUENCE RDILTRLHDE AVYLPISYIS MMVVSKPELG NIPYAPIATE IPFEQIKP 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 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.576 177.584 -0.013 0.000 1.274 2 A CA 0.000 52.028 52.037 -0.016 0.000 0.836 2 A CB 0.000 18.987 19.000 -0.022 0.000 0.831 3 P HA 0.549 nan 4.420 nan 0.000 0.279 3 P C -1.217 176.085 177.300 0.004 0.000 1.239 3 P CA 0.308 63.407 63.100 -0.002 0.000 0.789 3 P CB 1.170 32.870 31.700 -0.000 0.000 0.933 4 D N 0.502 120.909 120.400 0.012 0.000 2.502 4 D HA 0.285 4.926 4.640 0.001 0.000 0.301 4 D C -0.370 175.944 176.300 0.024 0.000 1.202 4 D CA -0.424 53.587 54.000 0.019 0.000 0.878 4 D CB 0.401 41.219 40.800 0.030 0.000 1.062 4 D HN 0.294 nan 8.370 nan 0.000 0.499 5 E N 0.498 120.700 120.200 0.002 0.000 2.299 5 E HA 0.698 5.049 4.350 0.001 0.000 0.265 5 E C -0.417 176.158 176.600 -0.041 0.000 0.911 5 E CA -1.046 55.346 56.400 -0.014 0.000 0.789 5 E CB 2.653 32.343 29.700 -0.018 0.000 1.246 5 E HN 0.159 nan 8.360 nan 0.000 0.427 6 I N 0.894 121.415 120.570 -0.082 0.000 2.769 6 I HA 0.319 4.489 4.170 0.001 0.000 0.298 6 I C -0.788 175.235 176.117 -0.157 0.000 1.128 6 I CA -0.611 60.624 61.300 -0.108 0.000 1.031 6 I CB 2.658 40.581 38.000 -0.128 0.000 1.235 6 I HN 0.451 nan 8.210 nan 0.000 0.423 7 T N 3.122 117.597 114.554 -0.132 0.000 2.856 7 T HA 0.670 5.021 4.350 0.001 0.000 0.283 7 T C -0.313 174.300 174.700 -0.145 0.000 1.008 7 T CA -0.444 61.567 62.100 -0.149 0.000 0.997 7 T CB 2.076 70.888 68.868 -0.093 0.000 0.992 7 T HN 0.611 nan 8.240 nan 0.000 0.454 8 T N 0.832 115.264 114.554 -0.204 0.000 2.618 8 T HA 0.885 5.236 4.350 0.001 0.000 0.286 8 T C -1.026 173.673 174.700 -0.001 0.000 1.027 8 T CA -0.814 61.200 62.100 -0.143 0.000 1.063 8 T CB 1.526 70.171 68.868 -0.372 0.000 1.440 8 T HN 0.840 nan 8.240 nan 0.000 0.505 9 A N 0.058 122.956 122.820 0.131 0.000 2.566 9 A HA 0.819 5.139 4.320 0.001 0.000 0.292 9 A C -2.282 175.572 177.584 0.451 0.000 1.112 9 A CA -0.735 51.450 52.037 0.246 0.000 0.707 9 A CB 1.774 20.870 19.000 0.161 0.000 1.302 9 A HN 0.741 nan 8.150 nan 0.000 0.409 10 W N 1.487 122.910 121.300 0.204 0.000 3.479 10 W HA 0.390 5.051 4.660 0.001 0.000 0.304 10 W C -2.767 173.837 176.519 0.141 0.000 1.243 10 W CA -1.524 55.937 57.345 0.193 0.000 1.202 10 W CB 2.287 31.936 29.460 0.315 0.000 1.346 10 W HN 0.536 nan 8.180 nan 0.000 0.539 11 P HA -0.037 nan 4.420 nan 0.000 0.241 11 P C 0.260 177.551 177.300 -0.015 0.000 1.191 11 P CA 0.976 63.971 63.100 -0.174 0.000 0.771 11 P CB 0.544 32.069 31.700 -0.292 0.000 0.929 12 V N -4.580 115.413 119.914 0.132 0.000 3.160 12 V HA 0.528 4.649 4.120 0.001 0.000 0.310 12 V C -0.212 176.087 176.094 0.342 0.000 1.181 12 V CA -1.437 60.992 62.300 0.216 0.000 1.047 12 V CB 1.439 33.370 31.823 0.180 0.000 1.068 12 V HN -0.234 nan 8.190 nan 0.000 0.441 13 N N 0.243 119.058 118.700 0.192 0.000 2.381 13 N HA 0.117 4.858 4.740 0.001 0.000 0.241 13 N C 0.846 176.420 175.510 0.107 0.000 1.279 13 N CA 0.503 53.632 53.050 0.131 0.000 0.896 13 N CB 1.919 40.429 38.487 0.038 0.000 1.118 13 N HN 0.715 nan 8.380 nan 0.000 0.438 14 V N 1.040 120.950 119.914 -0.007 0.000 2.667 14 V HA 0.031 4.152 4.120 0.001 0.000 0.252 14 V C 1.016 177.033 176.094 -0.130 0.000 1.065 14 V CA 1.862 64.071 62.300 -0.153 0.000 1.083 14 V CB -1.061 30.605 31.823 -0.261 0.000 0.692 14 V HN 1.017 nan 8.190 nan 0.000 0.468 15 G N -1.097 107.656 108.800 -0.079 0.000 2.655 15 G HA2 -0.131 3.829 3.960 0.001 0.000 0.680 15 G HA3 -0.131 3.829 3.960 0.001 0.000 0.680 15 G C -1.625 173.227 174.900 -0.080 0.000 1.302 15 G CA -0.237 44.823 45.100 -0.066 0.000 0.872 15 G HN 0.185 nan 8.290 nan 0.000 0.540 16 P HA 0.089 nan 4.420 nan 0.000 0.219 16 P C 1.422 178.694 177.300 -0.046 0.000 1.146 16 P CA 1.383 64.450 63.100 -0.056 0.000 0.808 16 P CB 0.052 31.723 31.700 -0.049 0.000 0.779 17 L N -2.842 118.352 121.223 -0.048 0.000 3.898 17 L HA -0.172 4.169 4.340 0.001 0.000 0.407 17 L C -0.027 176.896 176.870 0.088 0.000 1.207 17 L CA 0.197 55.045 54.840 0.015 0.000 0.931 17 L CB -2.509 39.546 42.059 -0.006 0.000 2.014 17 L HN 0.111 nan 8.230 nan 0.000 0.858 18 N N 1.463 120.135 118.700 -0.046 0.000 2.440 18 N HA 0.124 4.865 4.740 0.001 0.000 0.265 18 N C -1.295 174.024 175.510 -0.318 0.000 1.239 18 N CA -0.885 52.062 53.050 -0.172 0.000 0.909 18 N CB 0.969 39.362 38.487 -0.157 0.000 1.066 18 N HN 0.164 nan 8.380 nan 0.000 0.474 19 P HA -0.020 nan 4.420 nan 0.000 0.242 19 P C -0.113 176.856 177.300 -0.552 0.000 1.197 19 P CA 1.032 63.624 63.100 -0.848 0.000 0.765 19 P CB 0.278 31.030 31.700 -1.581 0.000 0.936 20 H N -1.994 116.816 119.070 -0.433 0.000 3.233 20 H HA 0.382 4.939 4.556 0.001 0.000 0.263 20 H C 0.873 175.978 175.328 -0.371 0.000 1.168 20 H CA -0.317 55.475 56.048 -0.427 0.000 1.159 20 H CB 0.545 30.112 29.762 -0.325 0.000 1.593 20 H HN 0.124 nan 8.280 nan 0.000 0.580 21 L N -0.826 120.221 121.223 -0.293 0.000 2.267 21 L HA 0.352 4.693 4.340 0.001 0.000 0.264 21 L C 0.056 176.592 176.870 -0.557 0.000 1.021 21 L CA -1.005 53.649 54.840 -0.311 0.000 0.861 21 L CB 1.301 43.300 42.059 -0.099 0.000 1.443 21 L HN -0.078 nan 8.230 nan 0.000 0.475 22 Y N -1.158 119.115 120.300 -0.046 0.000 3.262 22 Y HA 0.236 4.787 4.550 0.001 0.000 0.339 22 Y C 0.830 176.678 175.900 -0.087 0.000 1.322 22 Y CA -0.392 57.652 58.100 -0.093 0.000 0.880 22 Y CB -0.181 38.197 38.460 -0.138 0.000 1.117 22 Y HN 0.289 nan 8.280 nan 0.000 0.850 23 T N 3.810 118.422 114.554 0.097 0.000 2.934 23 T HA 0.066 4.416 4.350 0.001 0.000 0.306 23 T C -1.908 172.800 174.700 0.014 0.000 1.042 23 T CA -0.723 61.394 62.100 0.029 0.000 1.145 23 T CB 0.204 69.078 68.868 0.010 0.000 0.982 23 T HN 0.295 nan 8.240 nan 0.000 0.544 24 P HA 0.159 nan 4.420 nan 0.000 0.258 24 P C -0.172 177.120 177.300 -0.014 0.000 1.416 24 P CA -0.279 62.825 63.100 0.006 0.000 0.927 24 P CB 0.111 31.817 31.700 0.010 0.000 1.444 25 N N 1.843 120.516 118.700 -0.046 0.000 2.454 25 N HA 0.030 4.771 4.740 0.001 0.000 0.260 25 N C 0.137 175.584 175.510 -0.104 0.000 1.218 25 N CA 0.324 53.319 53.050 -0.092 0.000 0.904 25 N CB 0.689 39.103 38.487 -0.121 0.000 1.065 25 N HN 0.197 nan 8.380 nan 0.000 0.462 26 Q N 2.360 122.048 119.800 -0.187 0.000 2.257 26 Q HA 0.220 4.561 4.340 0.001 0.000 0.255 26 Q C 1.175 176.957 176.000 -0.363 0.000 0.920 26 Q CA -0.249 55.427 55.803 -0.211 0.000 0.927 26 Q CB 1.785 30.362 28.738 -0.269 0.000 1.229 26 Q HN 0.563 nan 8.270 nan 0.000 0.433 27 M N 1.433 120.928 119.600 -0.175 0.000 2.229 27 M HA -0.134 4.347 4.480 0.001 0.000 0.264 27 M C 1.649 177.829 176.300 -0.200 0.000 1.063 27 M CA 1.608 56.822 55.300 -0.145 0.000 1.114 27 M CB -0.455 32.122 32.600 -0.038 0.000 1.387 27 M HN 0.618 nan 8.290 nan 0.000 0.420 28 F N 0.515 120.338 119.950 -0.213 0.000 2.186 28 F HA 0.084 4.612 4.527 0.001 0.000 0.299 28 F C 2.334 177.969 175.800 -0.274 0.000 1.090 28 F CA 0.897 58.745 58.000 -0.252 0.000 1.307 28 F CB -1.154 37.622 39.000 -0.375 0.000 1.019 28 F HN -0.010 nan 8.300 nan 0.000 0.489 29 A N 0.583 122.503 122.820 -1.499 0.000 1.873 29 A HA -0.167 4.154 4.320 0.001 0.000 0.215 29 A C 2.264 179.598 177.584 -0.416 0.000 1.186 29 A CA 1.575 53.011 52.037 -1.000 0.000 0.616 29 A CB -1.062 17.333 19.000 -1.008 0.000 0.823 29 A HN 0.569 nan 8.150 nan 0.000 0.442 30 Q N -0.676 118.944 119.800 -0.299 0.000 2.152 30 Q HA -0.173 4.168 4.340 0.001 0.000 0.206 30 Q C 2.328 178.336 176.000 0.012 0.000 0.985 30 Q CA 1.831 57.614 55.803 -0.034 0.000 0.863 30 Q CB -0.208 28.513 28.738 -0.028 0.000 0.904 30 Q HN 0.656 nan 8.270 nan 0.000 0.422 31 S N -0.720 114.944 115.700 -0.060 0.000 2.489 31 S HA 0.004 4.475 4.470 0.001 0.000 0.228 31 S C 1.716 176.333 174.600 0.029 0.000 0.995 31 S CA 0.344 58.549 58.200 0.009 0.000 0.934 31 S CB 0.064 63.267 63.200 0.004 0.000 0.771 31 S HN 0.282 nan 8.310 nan 0.000 0.522 32 M N 0.106 119.682 119.600 -0.040 0.000 2.254 32 M HA 0.015 4.496 4.480 0.001 0.000 0.265 32 M C 1.732 178.096 176.300 0.107 0.000 1.066 32 M CA 1.124 56.462 55.300 0.064 0.000 1.123 32 M CB 0.046 32.498 32.600 -0.247 0.000 1.388 32 M HN 0.233 nan 8.290 nan 0.000 0.425 33 V N -1.966 117.899 119.914 -0.083 0.000 2.795 33 V HA -0.014 4.107 4.120 0.001 0.000 0.243 33 V C 0.295 176.192 176.094 -0.328 0.000 1.069 33 V CA 0.597 62.728 62.300 -0.282 0.000 1.089 33 V CB -0.171 31.261 31.823 -0.650 0.000 0.756 33 V HN 0.210 nan 8.190 nan 0.000 0.471 34 Y N 0.001 120.351 120.300 0.085 0.000 2.387 34 Y HA 0.647 5.198 4.550 0.001 0.000 0.330 34 Y C 0.159 176.125 175.900 0.109 0.000 1.133 34 Y CA -0.605 57.542 58.100 0.078 0.000 1.152 34 Y CB 1.594 40.051 38.460 -0.004 0.000 1.215 34 Y HN 0.054 nan 8.280 nan 0.000 0.466 35 E N 3.327 123.731 120.200 0.340 0.000 2.359 35 E HA 0.525 4.875 4.350 0.001 0.000 0.266 35 E C -2.741 174.042 176.600 0.305 0.000 0.920 35 E CA -2.129 54.483 56.400 0.354 0.000 0.788 35 E CB 2.447 32.507 29.700 0.600 0.000 1.279 35 E HN 0.189 nan 8.360 nan 0.000 0.438 36 P HA 0.281 nan 4.420 nan 0.000 0.293 36 P C 0.227 177.743 177.300 0.359 0.000 1.305 36 P CA -0.503 62.734 63.100 0.229 0.000 0.874 36 P CB 1.173 32.923 31.700 0.083 0.000 1.288 37 L N -1.014 120.373 121.223 0.272 0.000 2.141 37 L HA 0.057 4.397 4.340 0.001 0.000 0.209 37 L C 0.925 177.890 176.870 0.157 0.000 1.094 37 L CA 1.355 56.287 54.840 0.154 0.000 0.763 37 L CB -0.112 41.833 42.059 -0.191 0.000 0.908 37 L HN 0.112 nan 8.230 nan 0.000 0.437 38 V N -0.361 119.617 119.914 0.108 0.000 2.777 38 V HA 0.253 4.374 4.120 0.001 0.000 0.306 38 V C -0.910 175.233 176.094 0.081 0.000 1.112 38 V CA -0.909 61.457 62.300 0.109 0.000 0.917 38 V CB 2.517 34.246 31.823 -0.156 0.000 1.018 38 V HN 0.016 nan 8.190 nan 0.000 0.426 39 K N 4.093 124.551 120.400 0.097 0.000 2.235 39 K HA 0.484 4.805 4.320 0.001 0.000 0.266 39 K C -0.959 175.648 176.600 0.012 0.000 0.980 39 K CA -0.454 55.775 56.287 -0.096 0.000 0.849 39 K CB 1.005 33.223 32.500 -0.470 0.000 1.098 39 K HN 0.599 nan 8.250 nan 0.000 0.445 40 Y N 3.400 123.641 120.300 -0.099 0.000 2.497 40 Y HA 0.096 4.647 4.550 0.001 0.000 0.334 40 Y C -0.375 175.505 175.900 -0.033 0.000 1.199 40 Y CA 0.586 58.657 58.100 -0.049 0.000 1.425 40 Y CB 0.755 39.184 38.460 -0.052 0.000 1.291 40 Y HN 0.533 nan 8.280 nan 0.000 0.562 41 Q N 3.792 123.160 119.800 -0.720 0.000 2.351 41 Q HA 0.483 4.824 4.340 0.001 0.000 0.273 41 Q C 0.666 176.250 176.000 -0.694 0.000 1.077 41 Q CA -0.051 55.460 55.803 -0.487 0.000 0.843 41 Q CB 1.887 30.473 28.738 -0.254 0.000 1.367 41 Q HN 0.900 nan 8.270 nan 0.000 0.449 42 A N 1.717 124.368 122.820 -0.282 0.000 1.908 42 A HA -0.229 4.092 4.320 0.001 0.000 0.218 42 A C 1.219 178.713 177.584 -0.150 0.000 1.181 42 A CA 2.301 54.251 52.037 -0.145 0.000 0.627 42 A CB -0.556 18.425 19.000 -0.031 0.000 0.818 42 A HN 0.820 nan 8.150 nan 0.000 0.445 43 D N -1.893 118.418 120.400 -0.149 0.000 2.351 43 D HA 0.165 4.806 4.640 0.001 0.000 0.216 43 D C 1.287 177.526 176.300 -0.101 0.000 0.968 43 D CA 1.394 55.337 54.000 -0.095 0.000 0.899 43 D CB -0.688 40.077 40.800 -0.058 0.000 0.907 43 D HN 0.963 nan 8.370 nan 0.000 0.514 44 G N -0.542 108.118 108.800 -0.234 0.000 2.213 44 G HA2 -0.265 3.696 3.960 0.001 0.000 0.226 44 G HA3 -0.265 3.696 3.960 0.001 0.000 0.226 44 G C 0.514 175.365 174.900 -0.082 0.000 0.992 44 G CA 0.440 45.484 45.100 -0.093 0.000 0.632 44 G HN 0.855 nan 8.290 nan 0.000 0.511 45 S N -0.969 114.649 115.700 -0.136 0.000 2.652 45 S HA 0.802 5.273 4.470 0.001 0.000 0.267 45 S C 0.213 174.777 174.600 -0.061 0.000 1.201 45 S CA 0.076 58.257 58.200 -0.031 0.000 0.996 45 S CB 2.241 65.448 63.200 0.012 0.000 1.054 45 S HN 1.359 nan 8.310 nan 0.000 0.561 46 V N 0.569 120.526 119.914 0.072 0.000 3.001 46 V HA 0.723 4.844 4.120 0.001 0.000 0.314 46 V C -0.828 175.391 176.094 0.209 0.000 1.099 46 V CA -1.076 61.291 62.300 0.113 0.000 0.989 46 V CB 1.766 33.666 31.823 0.127 0.000 1.040 46 V HN 0.965 nan 8.190 nan 0.000 0.434 47 I N 1.758 122.473 120.570 0.241 0.000 2.785 47 I HA 0.718 4.889 4.170 0.001 0.000 0.302 47 I C -2.719 173.693 176.117 0.492 0.000 1.069 47 I CA -2.698 58.808 61.300 0.343 0.000 1.045 47 I CB 2.318 40.480 38.000 0.270 0.000 1.236 47 I HN 0.364 nan 8.210 nan 0.000 0.429 48 P HA -0.043 nan 4.420 nan 0.000 0.266 48 P C -0.918 176.750 177.300 0.613 0.000 1.195 48 P CA 0.294 63.771 63.100 0.629 0.000 0.768 48 P CB 0.976 32.924 31.700 0.414 0.000 0.838 49 W N 2.968 124.428 121.300 0.266 0.000 4.454 49 W HA 0.146 4.807 4.660 0.001 0.000 0.640 49 W C 1.825 178.328 176.519 -0.027 0.000 3.446 49 W CA -0.159 57.316 57.345 0.217 0.000 1.133 49 W CB -0.311 29.295 29.460 0.244 0.000 2.146 49 W HN 0.021 nan 8.180 nan 0.000 0.359 50 L N 1.698 122.909 121.223 -0.020 0.000 2.079 50 L HA -0.104 4.237 4.340 0.001 0.000 0.210 50 L C 1.209 178.056 176.870 -0.040 0.000 1.081 50 L CA 1.199 55.865 54.840 -0.290 0.000 0.752 50 L CB -1.062 40.897 42.059 -0.167 0.000 0.896 50 L HN 0.056 nan 8.230 nan 0.000 0.433 51 A N -0.173 122.753 122.820 0.177 0.000 2.309 51 A HA 0.125 4.446 4.320 0.001 0.000 0.290 51 A C 1.179 178.999 177.584 0.393 0.000 1.206 51 A CA -0.316 51.923 52.037 0.337 0.000 0.850 51 A CB 0.668 19.962 19.000 0.491 0.000 1.118 51 A HN 0.117 nan 8.150 nan 0.000 0.523 52 K N 1.220 121.779 120.400 0.266 0.000 2.228 52 K HA 0.105 4.426 4.320 0.001 0.000 0.202 52 K C 0.031 176.740 176.600 0.182 0.000 1.051 52 K CA 1.056 57.447 56.287 0.174 0.000 0.960 52 K CB 0.054 32.593 32.500 0.065 0.000 0.743 52 K HN 0.636 nan 8.250 nan 0.000 0.458 53 S N -1.561 114.310 115.700 0.286 0.000 2.595 53 S HA 0.479 4.950 4.470 0.001 0.000 0.270 53 S C -2.193 172.603 174.600 0.327 0.000 1.145 53 S CA -0.881 57.340 58.200 0.035 0.000 0.825 53 S CB 0.816 63.971 63.200 -0.075 0.000 1.107 53 S HN 0.374 nan 8.310 nan 0.000 0.461 54 W N 0.179 121.518 121.300 0.064 0.000 3.146 54 W HA 0.744 5.404 4.660 0.001 0.000 0.319 54 W C -0.969 175.504 176.519 -0.076 0.000 1.258 54 W CA -0.797 56.487 57.345 -0.100 0.000 1.189 54 W CB 0.152 29.361 29.460 -0.419 0.000 1.412 54 W HN 0.732 nan 8.180 nan 0.000 0.567 55 T N -1.164 113.420 114.554 0.051 0.000 2.883 55 T HA 0.710 5.061 4.350 0.001 0.000 0.296 55 T C -1.051 173.517 174.700 -0.220 0.000 1.117 55 T CA -0.902 61.146 62.100 -0.086 0.000 1.006 55 T CB 2.018 70.794 68.868 -0.153 0.000 1.191 55 T HN 1.073 nan 8.240 nan 0.000 0.508 56 H N -0.979 117.780 119.070 -0.519 0.000 2.851 56 H HA 0.652 5.209 4.556 0.001 0.000 0.372 56 H C -0.192 174.871 175.328 -0.442 0.000 1.158 56 H CA -0.824 54.753 56.048 -0.785 0.000 1.159 56 H CB 1.119 29.924 29.762 -1.595 0.000 1.757 56 H HN 0.882 nan 8.280 nan 0.000 0.546 57 S N 0.834 116.360 115.700 -0.291 0.000 2.569 57 S HA -0.066 4.405 4.470 0.001 0.000 0.274 57 S C 0.990 175.494 174.600 -0.161 0.000 1.353 57 S CA -0.052 58.032 58.200 -0.193 0.000 1.023 57 S CB 0.969 64.104 63.200 -0.108 0.000 0.876 57 S HN 0.768 nan 8.310 nan 0.000 0.540 58 E N 0.997 121.120 120.200 -0.129 0.000 2.110 58 E HA -0.181 4.169 4.350 0.001 0.000 0.193 58 E C 1.340 177.924 176.600 -0.026 0.000 0.988 58 E CA 1.510 57.858 56.400 -0.086 0.000 0.804 58 E CB -0.218 29.435 29.700 -0.078 0.000 0.745 58 E HN 0.928 nan 8.360 nan 0.000 0.458 59 D N -0.817 119.570 120.400 -0.023 0.000 2.363 59 D HA -0.043 4.598 4.640 0.001 0.000 0.226 59 D C 1.253 177.573 176.300 0.033 0.000 1.020 59 D CA 0.916 54.916 54.000 -0.001 0.000 0.892 59 D CB -0.085 40.712 40.800 -0.004 0.000 0.900 59 D HN 0.215 nan 8.370 nan 0.000 0.531 60 G N 1.123 109.953 108.800 0.050 0.000 2.155 60 G HA2 -0.372 3.589 3.960 0.001 0.000 0.257 60 G HA3 -0.372 3.589 3.960 0.001 0.000 0.257 60 G C 0.930 175.947 174.900 0.195 0.000 0.983 60 G CA 0.655 45.829 45.100 0.123 0.000 0.676 60 G HN 0.503 nan 8.290 nan 0.000 0.528 61 K N -0.574 119.890 120.400 0.108 0.000 2.379 61 K HA 0.155 4.476 4.320 0.001 0.000 0.194 61 K C 0.366 177.054 176.600 0.147 0.000 1.031 61 K CA 0.756 57.115 56.287 0.121 0.000 1.037 61 K CB 0.581 33.113 32.500 0.054 0.000 0.824 61 K HN 0.300 nan 8.250 nan 0.000 0.516 62 T N 0.860 115.467 114.554 0.089 0.000 2.840 62 T HA 0.328 4.679 4.350 0.001 0.000 0.287 62 T C -1.548 173.161 174.700 0.015 0.000 0.991 62 T CA -0.593 61.559 62.100 0.088 0.000 0.964 62 T CB 0.851 69.727 68.868 0.013 0.000 0.954 62 T HN 0.070 nan 8.240 nan 0.000 0.438 63 W N 2.405 123.709 121.300 0.007 0.000 2.656 63 W HA 0.507 5.167 4.660 0.001 0.000 0.327 63 W C -0.096 176.427 176.519 0.006 0.000 1.041 63 W CA -0.717 56.637 57.345 0.014 0.000 1.229 63 W CB 1.434 30.959 29.460 0.109 0.000 1.397 63 W HN 0.505 nan 8.180 nan 0.000 0.479 64 T N 1.212 115.803 114.554 0.063 0.000 2.809 64 T HA 0.558 4.909 4.350 0.001 0.000 0.296 64 T C -0.946 173.790 174.700 0.061 0.000 1.015 64 T CA -0.670 61.488 62.100 0.096 0.000 0.954 64 T CB 0.372 69.280 68.868 0.067 0.000 0.950 64 T HN 0.056 nan 8.240 nan 0.000 0.450 65 F N 1.790 121.919 119.950 0.298 0.000 2.405 65 F HA 0.354 4.881 4.527 0.001 0.000 0.355 65 F C 1.111 177.033 175.800 0.203 0.000 1.121 65 F CA -0.857 57.341 58.000 0.331 0.000 1.112 65 F CB 1.239 40.413 39.000 0.290 0.000 1.126 65 F HN 0.433 nan 8.300 nan 0.000 0.481 66 T N 5.765 120.517 114.554 0.331 0.000 2.855 66 T HA 0.289 4.640 4.350 0.001 0.000 0.290 66 T C 0.602 175.427 174.700 0.209 0.000 0.941 66 T CA -0.453 61.765 62.100 0.197 0.000 1.030 66 T CB -0.435 68.503 68.868 0.118 0.000 0.935 66 T HN 0.298 nan 8.240 nan 0.000 0.564 67 L N 2.615 123.933 121.223 0.158 0.000 2.489 67 L HA 0.158 4.499 4.340 0.001 0.000 0.285 67 L C 1.415 178.304 176.870 0.030 0.000 1.259 67 L CA -0.155 54.745 54.840 0.100 0.000 0.828 67 L CB 0.201 42.260 42.059 0.000 0.000 1.094 67 L HN 0.430 nan 8.230 nan 0.000 0.524 68 R N 0.678 121.159 120.500 -0.031 0.000 2.539 68 R HA 0.004 4.345 4.340 0.001 0.000 0.275 68 R C 0.555 176.805 176.300 -0.084 0.000 1.077 68 R CA -0.324 55.704 56.100 -0.120 0.000 1.097 68 R CB 0.672 30.769 30.300 -0.340 0.000 1.018 68 R HN 0.674 nan 8.270 nan 0.000 0.483 69 D N 0.083 120.440 120.400 -0.072 0.000 2.289 69 D HA -0.118 4.523 4.640 0.001 0.000 0.207 69 D C 0.237 176.513 176.300 -0.039 0.000 0.966 69 D CA 0.578 54.550 54.000 -0.047 0.000 0.868 69 D CB 0.074 40.855 40.800 -0.032 0.000 0.943 69 D HN 0.568 nan 8.370 nan 0.000 0.514 70 D N 0.116 120.479 120.400 -0.062 0.000 2.615 70 D HA 0.179 4.820 4.640 0.001 0.000 0.236 70 D C -0.471 175.806 176.300 -0.039 0.000 1.233 70 D CA -0.676 53.303 54.000 -0.035 0.000 0.829 70 D CB 0.240 41.023 40.800 -0.028 0.000 1.024 70 D HN 0.018 nan 8.370 nan 0.000 0.490 71 V N 0.186 120.067 119.914 -0.056 0.000 2.495 71 V HA 0.457 4.578 4.120 0.001 0.000 0.298 71 V C -0.163 175.952 176.094 0.036 0.000 1.031 71 V CA -0.787 61.460 62.300 -0.089 0.000 0.871 71 V CB 1.903 33.512 31.823 -0.357 0.000 0.988 71 V HN 0.044 nan 8.190 nan 0.000 0.432 72 K N 3.715 124.150 120.400 0.057 0.000 2.427 72 K HA 0.606 4.927 4.320 0.001 0.000 0.252 72 K C -1.067 175.603 176.600 0.117 0.000 0.931 72 K CA -0.643 55.733 56.287 0.147 0.000 0.793 72 K CB 2.135 34.733 32.500 0.164 0.000 1.211 72 K HN 0.417 nan 8.250 nan 0.000 0.426 73 F N 1.676 121.729 119.950 0.172 0.000 2.642 73 F HA -0.151 4.376 4.527 0.001 0.000 0.371 73 F C 1.846 177.722 175.800 0.127 0.000 1.120 73 F CA 1.246 59.341 58.000 0.158 0.000 1.331 73 F CB 0.280 39.376 39.000 0.160 0.000 1.044 73 F HN 0.855 nan 8.300 nan 0.000 0.594 74 S N 1.128 116.977 115.700 0.247 0.000 2.512 74 S HA -0.295 4.176 4.470 0.001 0.000 0.252 74 S C 1.306 176.006 174.600 0.166 0.000 1.147 74 S CA 1.009 59.334 58.200 0.210 0.000 2.484 74 S CB -1.588 61.762 63.200 0.250 0.000 0.785 74 S HN 0.958 nan 8.310 nan 0.000 0.482 75 N N 2.611 121.421 118.700 0.184 0.000 2.370 75 N HA 0.383 5.123 4.740 0.001 0.000 0.198 75 N C 1.378 176.952 175.510 0.107 0.000 1.156 75 N CA 1.807 54.926 53.050 0.114 0.000 0.839 75 N CB -0.097 38.437 38.487 0.077 0.000 0.989 75 N HN 1.665 nan 8.380 nan 0.000 0.468 76 G N -0.345 108.543 108.800 0.147 0.000 2.279 76 G HA2 -0.283 3.678 3.960 0.001 0.000 0.223 76 G HA3 -0.283 3.678 3.960 0.001 0.000 0.223 76 G C -0.237 174.755 174.900 0.153 0.000 1.015 76 G CA 0.052 45.228 45.100 0.127 0.000 0.621 76 G HN 0.499 nan 8.290 nan 0.000 0.506 77 E N 2.504 122.801 120.200 0.162 0.000 2.418 77 E HA 0.381 4.732 4.350 0.001 0.000 0.261 77 E C -2.225 174.567 176.600 0.318 0.000 1.070 77 E CA -0.915 55.575 56.400 0.149 0.000 0.931 77 E CB 0.669 30.370 29.700 0.001 0.000 0.954 77 E HN 0.324 nan 8.360 nan 0.000 0.439 78 P HA 0.110 nan 4.420 nan 0.000 0.286 78 P C -1.233 176.324 177.300 0.428 0.000 1.261 78 P CA -0.324 62.931 63.100 0.258 0.000 0.821 78 P CB 0.443 32.213 31.700 0.117 0.000 1.013 79 F N 3.323 123.375 119.950 0.171 0.000 2.388 79 F HA 0.470 4.998 4.527 0.001 0.000 0.358 79 F C -0.826 174.962 175.800 -0.018 0.000 1.122 79 F CA -0.211 57.836 58.000 0.078 0.000 1.056 79 F CB 0.632 39.451 39.000 -0.301 0.000 1.155 79 F HN 0.272 nan 8.300 nan 0.000 0.461 80 D N 3.626 123.586 120.400 -0.734 0.000 2.602 80 D HA 0.403 5.043 4.640 0.001 0.000 0.236 80 D C 0.411 176.329 176.300 -0.637 0.000 1.209 80 D CA -0.359 53.300 54.000 -0.568 0.000 0.831 80 D CB 1.101 41.768 40.800 -0.221 0.000 1.478 80 D HN 0.555 nan 8.370 nan 0.000 0.438 81 A N 0.586 123.160 122.820 -0.411 0.000 2.023 81 A HA -0.330 3.990 4.320 0.001 0.000 0.223 81 A C 1.592 179.087 177.584 -0.148 0.000 1.180 81 A CA 2.285 54.175 52.037 -0.245 0.000 0.659 81 A CB -0.888 18.048 19.000 -0.107 0.000 0.817 81 A HN 0.681 nan 8.150 nan 0.000 0.466 82 E N -0.291 119.833 120.200 -0.127 0.000 2.152 82 E HA 0.121 4.471 4.350 0.001 0.000 0.192 82 E C 2.200 178.792 176.600 -0.014 0.000 0.983 82 E CA 1.033 57.406 56.400 -0.046 0.000 0.818 82 E CB -0.369 29.306 29.700 -0.041 0.000 0.758 82 E HN 0.637 nan 8.360 nan 0.000 0.467 83 A N 1.323 124.107 122.820 -0.060 0.000 1.872 83 A HA 0.016 4.337 4.320 0.001 0.000 0.214 83 A C 2.380 180.080 177.584 0.192 0.000 1.187 83 A CA 1.514 53.597 52.037 0.076 0.000 0.614 83 A CB -0.904 18.217 19.000 0.201 0.000 0.826 83 A HN 0.282 nan 8.150 nan 0.000 0.442 84 A N 0.205 123.021 122.820 -0.006 0.000 1.859 84 A HA 0.044 4.365 4.320 0.001 0.000 0.217 84 A C 2.565 180.462 177.584 0.522 0.000 1.198 84 A CA 2.704 54.818 52.037 0.129 0.000 0.629 84 A CB -1.352 17.549 19.000 -0.165 0.000 0.830 84 A HN 1.234 nan 8.150 nan 0.000 0.446 85 A N -0.923 122.092 122.820 0.324 0.000 1.927 85 A HA -0.250 4.070 4.320 0.001 0.000 0.220 85 A C 2.025 179.829 177.584 0.367 0.000 1.185 85 A CA 2.000 54.236 52.037 0.331 0.000 0.639 85 A CB -0.534 18.565 19.000 0.165 0.000 0.820 85 A HN 0.574 nan 8.150 nan 0.000 0.451 86 E N -0.320 120.069 120.200 0.315 0.000 2.072 86 E HA -0.156 4.195 4.350 0.001 0.000 0.190 86 E C 1.895 178.807 176.600 0.519 0.000 0.982 86 E CA 1.227 57.834 56.400 0.346 0.000 0.803 86 E CB -0.356 29.460 29.700 0.192 0.000 0.755 86 E HN 0.740 nan 8.360 nan 0.000 0.453 87 N N 0.138 119.175 118.700 0.563 0.000 2.018 87 N HA -0.178 4.562 4.740 0.001 0.000 0.196 87 N C 1.703 177.282 175.510 0.115 0.000 1.043 87 N CA 1.564 54.877 53.050 0.439 0.000 0.856 87 N CB -0.370 38.447 38.487 0.551 0.000 1.042 87 N HN 0.048 nan 8.380 nan 0.000 0.423 88 F N 1.128 121.247 119.950 0.281 0.000 2.043 88 F HA -0.188 4.340 4.527 0.001 0.000 0.297 88 F C 2.645 178.529 175.800 0.139 0.000 1.118 88 F CA 1.276 59.398 58.000 0.203 0.000 1.202 88 F CB -0.420 38.711 39.000 0.217 0.000 0.965 88 F HN 0.008 nan 8.300 nan 0.000 0.482 89 R N 0.761 121.474 120.500 0.356 0.000 2.103 89 R HA -0.221 4.120 4.340 0.001 0.000 0.242 89 R C 2.209 178.604 176.300 0.157 0.000 1.142 89 R CA 1.631 57.872 56.100 0.235 0.000 0.960 89 R CB -0.898 29.541 30.300 0.231 0.000 0.858 89 R HN 0.349 nan 8.270 nan 0.000 0.439 90 A N -0.038 122.860 122.820 0.131 0.000 1.930 90 A HA -0.086 4.234 4.320 0.001 0.000 0.217 90 A C 2.428 179.939 177.584 -0.122 0.000 1.175 90 A CA 1.490 53.504 52.037 -0.039 0.000 0.627 90 A CB -0.451 18.402 19.000 -0.246 0.000 0.815 90 A HN 0.185 nan 8.150 nan 0.000 0.443 91 V N 0.399 120.187 119.914 -0.210 0.000 2.237 91 V HA -0.272 3.848 4.120 0.001 0.000 0.245 91 V C 2.493 178.633 176.094 0.076 0.000 1.046 91 V CA 2.068 64.265 62.300 -0.171 0.000 1.007 91 V CB -0.977 30.654 31.823 -0.320 0.000 0.638 91 V HN 0.588 nan 8.190 nan 0.000 0.445 92 L N 0.110 121.412 121.223 0.132 0.000 2.353 92 L HA -0.162 4.179 4.340 0.001 0.000 0.220 92 L C 2.152 179.063 176.870 0.069 0.000 1.133 92 L CA 1.088 56.013 54.840 0.141 0.000 0.798 92 L CB -0.871 41.288 42.059 0.167 0.000 0.922 92 L HN 0.381 nan 8.230 nan 0.000 0.445 93 D N 0.050 120.478 120.400 0.046 0.000 2.263 93 D HA -0.189 4.452 4.640 0.001 0.000 0.208 93 D C 1.440 177.728 176.300 -0.019 0.000 0.971 93 D CA 1.115 55.126 54.000 0.019 0.000 0.867 93 D CB -0.160 40.653 40.800 0.023 0.000 0.929 93 D HN 0.471 nan 8.370 nan 0.000 0.492 94 N N 0.431 119.099 118.700 -0.054 0.000 2.238 94 N HA 0.013 4.754 4.740 0.001 0.000 0.222 94 N C 1.561 176.925 175.510 -0.244 0.000 1.133 94 N CA -0.290 52.670 53.050 -0.151 0.000 0.854 94 N CB 0.354 38.728 38.487 -0.189 0.000 1.041 94 N HN -0.050 nan 8.380 nan 0.000 0.510 95 R N 0.904 121.347 120.500 -0.094 0.000 2.165 95 R HA -0.248 4.093 4.340 0.001 0.000 0.254 95 R C 1.401 177.659 176.300 -0.070 0.000 1.153 95 R CA 1.957 58.035 56.100 -0.036 0.000 0.971 95 R CB -0.014 30.302 30.300 0.026 0.000 0.878 95 R HN 0.472 nan 8.270 nan 0.000 0.449 96 Q N -0.847 118.908 119.800 -0.076 0.000 2.226 96 Q HA -0.177 4.164 4.340 0.001 0.000 0.204 96 Q C 2.071 178.043 176.000 -0.047 0.000 0.975 96 Q CA 1.477 57.252 55.803 -0.048 0.000 0.866 96 Q CB -0.095 28.618 28.738 -0.042 0.000 0.915 96 Q HN 0.149 nan 8.270 nan 0.000 0.440 97 R N 0.135 120.557 120.500 -0.130 0.000 2.092 97 R HA -0.099 4.242 4.340 0.001 0.000 0.231 97 R C 0.982 177.336 176.300 0.089 0.000 1.119 97 R CA 1.351 57.394 56.100 -0.095 0.000 0.970 97 R CB -0.026 30.157 30.300 -0.194 0.000 0.864 97 R HN 0.309 nan 8.270 nan 0.000 0.440 98 H N -0.583 118.574 119.070 0.145 0.000 2.538 98 H HA 0.343 4.900 4.556 0.001 0.000 0.286 98 H C 1.018 176.233 175.328 -0.188 0.000 1.035 98 H CA 0.505 56.582 56.048 0.048 0.000 1.169 98 H CB 0.155 29.892 29.762 -0.041 0.000 1.417 98 H HN 0.317 nan 8.280 nan 0.000 0.567 99 A N 1.470 124.338 122.820 0.081 0.000 2.119 99 A HA -0.081 4.240 4.320 0.001 0.000 0.216 99 A C 2.122 179.740 177.584 0.056 0.000 1.152 99 A CA 0.379 52.435 52.037 0.032 0.000 0.708 99 A CB -0.829 18.201 19.000 0.050 0.000 0.805 99 A HN 0.667 nan 8.150 nan 0.000 0.460 100 W N -0.609 120.773 121.300 0.137 0.000 2.331 100 W HA -0.017 4.644 4.660 0.001 0.000 0.291 100 W C 0.240 176.888 176.519 0.215 0.000 1.214 100 W CA 0.334 57.795 57.345 0.193 0.000 1.228 100 W CB -0.812 28.816 29.460 0.280 0.000 1.135 100 W HN 0.177 nan 8.180 nan 0.000 0.537 101 L N 2.614 123.327 121.223 -0.850 0.000 2.265 101 L HA 0.076 4.416 4.340 0.001 0.000 0.289 101 L C 1.634 178.345 176.870 -0.264 0.000 1.033 101 L CA -0.100 54.269 54.840 -0.787 0.000 0.814 101 L CB 1.543 42.884 42.059 -1.197 0.000 1.203 101 L HN -0.175 nan 8.230 nan 0.000 0.423 102 E N 3.319 123.488 120.200 -0.053 0.000 2.110 102 E HA -0.231 4.120 4.350 0.001 0.000 0.193 102 E C 1.829 178.312 176.600 -0.195 0.000 0.988 102 E CA 1.367 57.736 56.400 -0.050 0.000 0.804 102 E CB -0.017 29.728 29.700 0.075 0.000 0.745 102 E HN 0.728 nan 8.360 nan 0.000 0.458 103 L N -0.152 121.019 121.223 -0.086 0.000 2.034 103 L HA -0.344 3.997 4.340 0.001 0.000 0.217 103 L C 2.252 179.088 176.870 -0.056 0.000 1.077 103 L CA 1.895 56.674 54.840 -0.102 0.000 0.769 103 L CB -0.697 41.429 42.059 0.111 0.000 0.890 103 L HN 0.357 nan 8.230 nan 0.000 0.435 104 A N 0.064 122.939 122.820 0.092 0.000 1.873 104 A HA -0.347 3.974 4.320 0.001 0.000 0.218 104 A C 1.899 179.502 177.584 0.032 0.000 1.193 104 A CA 2.346 54.484 52.037 0.168 0.000 0.629 104 A CB -1.018 18.059 19.000 0.128 0.000 0.826 104 A HN 0.637 nan 8.150 nan 0.000 0.447 105 N N -0.958 117.715 118.700 -0.045 0.000 2.585 105 N HA -0.119 4.621 4.740 0.001 0.000 0.188 105 N C 1.662 177.101 175.510 -0.118 0.000 1.102 105 N CA 1.050 54.060 53.050 -0.066 0.000 0.920 105 N CB -0.012 38.438 38.487 -0.063 0.000 0.963 105 N HN 0.506 nan 8.380 nan 0.000 0.447 106 Q N -0.362 119.322 119.800 -0.194 0.000 2.373 106 Q HA 0.132 4.473 4.340 0.001 0.000 0.210 106 Q C 0.082 175.980 176.000 -0.171 0.000 0.913 106 Q CA 0.046 55.697 55.803 -0.253 0.000 0.911 106 Q CB 0.685 29.116 28.738 -0.512 0.000 1.040 106 Q HN 0.413 nan 8.270 nan 0.000 0.521 107 I N 2.139 122.638 120.570 -0.119 0.000 2.587 107 I HA -0.078 4.093 4.170 0.001 0.000 0.284 107 I C 1.485 177.572 176.117 -0.051 0.000 1.134 107 I CA 0.236 61.481 61.300 -0.092 0.000 1.410 107 I CB 0.771 38.747 38.000 -0.040 0.000 1.392 107 I HN -0.114 nan 8.210 nan 0.000 0.545 108 V N 5.303 125.184 119.914 -0.056 0.000 2.825 108 V HA -0.003 4.118 4.120 0.001 0.000 0.246 108 V C 0.468 176.557 176.094 -0.007 0.000 1.068 108 V CA 1.310 63.593 62.300 -0.027 0.000 1.088 108 V CB -0.336 31.471 31.823 -0.027 0.000 0.733 108 V HN 0.976 nan 8.190 nan 0.000 0.468 109 D N -1.742 118.651 120.400 -0.013 0.000 2.742 109 D HA 0.283 4.923 4.640 0.001 0.000 0.262 109 D C -1.493 174.795 176.300 -0.019 0.000 1.240 109 D CA -0.235 53.768 54.000 0.005 0.000 0.752 109 D CB 2.316 43.124 40.800 0.013 0.000 1.290 109 D HN -0.093 nan 8.370 nan 0.000 0.420 110 V N -0.165 119.747 119.914 -0.003 0.000 2.588 110 V HA 0.605 4.726 4.120 0.001 0.000 0.304 110 V C -0.398 175.712 176.094 0.028 0.000 1.042 110 V CA -0.716 61.567 62.300 -0.027 0.000 0.877 110 V CB 1.736 33.499 31.823 -0.100 0.000 0.996 110 V HN 0.491 nan 8.190 nan 0.000 0.425 111 K N 2.465 122.883 120.400 0.031 0.000 2.471 111 K HA 0.753 5.074 4.320 0.001 0.000 0.252 111 K C -0.370 176.257 176.600 0.043 0.000 0.938 111 K CA -0.463 55.848 56.287 0.039 0.000 0.796 111 K CB 2.246 34.765 32.500 0.033 0.000 1.161 111 K HN 0.907 nan 8.250 nan 0.000 0.425 112 A N 4.274 127.117 122.820 0.038 0.000 2.438 112 A HA 0.129 4.450 4.320 0.001 0.000 0.280 112 A C 0.546 178.142 177.584 0.020 0.000 1.160 112 A CA -0.179 51.873 52.037 0.025 0.000 0.821 112 A CB -0.097 18.910 19.000 0.011 0.000 1.101 112 A HN 0.643 nan 8.150 nan 0.000 0.515 113 L N 2.709 123.947 121.223 0.025 0.000 1.913 113 L HA 0.027 4.368 4.340 0.001 0.000 0.215 113 L C 2.093 178.967 176.870 0.006 0.000 1.117 113 L CA 2.274 57.126 54.840 0.019 0.000 0.798 113 L CB -1.132 40.943 42.059 0.027 0.000 0.893 113 L HN 0.809 nan 8.230 nan 0.000 0.440 114 S N -1.512 114.190 115.700 0.003 0.000 2.566 114 S HA 0.187 4.658 4.470 0.001 0.000 0.277 114 S C 1.048 175.636 174.600 -0.021 0.000 1.150 114 S CA -0.571 57.625 58.200 -0.007 0.000 1.032 114 S CB 0.265 63.462 63.200 -0.006 0.000 1.157 114 S HN 0.163 nan 8.310 nan 0.000 0.507 115 K N 0.760 121.142 120.400 -0.029 0.000 2.209 115 K HA -0.063 4.258 4.320 0.001 0.000 0.204 115 K C 1.602 178.159 176.600 -0.071 0.000 1.048 115 K CA 1.681 57.937 56.287 -0.051 0.000 0.940 115 K CB -0.511 31.963 32.500 -0.043 0.000 0.729 115 K HN 0.865 nan 8.250 nan 0.000 0.451 116 T N -1.914 112.615 114.554 -0.042 0.000 3.084 116 T HA 0.159 4.510 4.350 0.001 0.000 0.270 116 T C -0.021 174.686 174.700 0.010 0.000 1.008 116 T CA -0.470 61.611 62.100 -0.033 0.000 0.900 116 T CB 0.407 69.266 68.868 -0.016 0.000 1.084 116 T HN -0.125 nan 8.240 nan 0.000 0.538 117 E N 1.249 121.460 120.200 0.019 0.000 2.199 117 E HA 0.515 4.866 4.350 0.001 0.000 0.265 117 E C -1.662 174.987 176.600 0.082 0.000 0.882 117 E CA -0.769 55.671 56.400 0.066 0.000 0.759 117 E CB 2.720 32.450 29.700 0.052 0.000 1.148 117 E HN 0.205 nan 8.360 nan 0.000 0.412 118 L N 2.268 123.589 121.223 0.163 0.000 2.333 118 L HA 0.292 4.633 4.340 0.001 0.000 0.280 118 L C -0.679 176.335 176.870 0.240 0.000 1.004 118 L CA -0.240 54.706 54.840 0.176 0.000 0.820 118 L CB 1.655 43.822 42.059 0.180 0.000 1.247 118 L HN 0.416 nan 8.230 nan 0.000 0.416 119 Q N 5.572 125.463 119.800 0.152 0.000 2.394 119 Q HA 0.500 4.841 4.340 0.001 0.000 0.259 119 Q C -1.343 174.722 176.000 0.108 0.000 1.021 119 Q CA -0.489 55.402 55.803 0.147 0.000 0.805 119 Q CB 1.157 29.947 28.738 0.087 0.000 1.226 119 Q HN 0.589 nan 8.270 nan 0.000 0.476 120 I N 2.870 123.547 120.570 0.179 0.000 2.377 120 I HA 0.338 4.509 4.170 0.001 0.000 0.293 120 I C 0.292 176.466 176.117 0.095 0.000 0.987 120 I CA -0.491 60.854 61.300 0.076 0.000 1.185 120 I CB 1.613 39.705 38.000 0.153 0.000 1.341 120 I HN 0.507 nan 8.210 nan 0.000 0.455 121 T N 6.156 120.713 114.554 0.005 0.000 2.861 121 T HA 0.735 5.086 4.350 0.001 0.000 0.287 121 T C -0.814 173.845 174.700 -0.069 0.000 1.003 121 T CA -0.605 61.496 62.100 0.001 0.000 0.977 121 T CB 1.461 70.337 68.868 0.014 0.000 0.996 121 T HN 0.413 nan 8.240 nan 0.000 0.448 122 L N 4.121 125.292 121.223 -0.086 0.000 2.330 122 L HA 0.561 4.901 4.340 0.001 0.000 0.271 122 L C 1.748 178.575 176.870 -0.073 0.000 1.013 122 L CA -1.240 53.515 54.840 -0.141 0.000 0.816 122 L CB 2.025 43.935 42.059 -0.249 0.000 1.287 122 L HN 0.867 nan 8.230 nan 0.000 0.435 123 K N 0.386 120.735 120.400 -0.084 0.000 2.283 123 K HA -0.020 4.301 4.320 0.001 0.000 0.202 123 K C 0.482 177.074 176.600 -0.013 0.000 1.048 123 K CA 1.029 57.289 56.287 -0.046 0.000 0.948 123 K CB 0.175 32.643 32.500 -0.053 0.000 0.742 123 K HN 0.641 nan 8.250 nan 0.000 0.458 124 S N -0.982 114.718 115.700 -0.001 0.000 2.685 124 S HA 0.626 5.097 4.470 0.001 0.000 0.282 124 S C -0.978 173.701 174.600 0.131 0.000 1.159 124 S CA -0.740 57.504 58.200 0.074 0.000 0.833 124 S CB 1.579 64.845 63.200 0.110 0.000 1.151 124 S HN 0.223 nan 8.310 nan 0.000 0.485 125 A N 1.550 124.481 122.820 0.185 0.000 2.545 125 A HA 0.430 4.751 4.320 0.001 0.000 0.297 125 A C -0.846 176.989 177.584 0.418 0.000 1.340 125 A CA -0.080 52.115 52.037 0.263 0.000 1.016 125 A CB -1.198 17.899 19.000 0.161 0.000 1.122 125 A HN 0.876 nan 8.150 nan 0.000 0.537 126 Y N 4.720 125.102 120.300 0.137 0.000 2.434 126 Y HA 0.358 4.909 4.550 0.001 0.000 0.341 126 Y C 0.782 176.702 175.900 0.033 0.000 0.965 126 Y CA -1.417 56.704 58.100 0.035 0.000 1.205 126 Y CB 0.306 38.705 38.460 -0.103 0.000 1.121 126 Y HN 0.742 nan 8.280 nan 0.000 0.507 127 Y N 4.773 124.908 120.300 -0.274 0.000 2.242 127 Y HA 0.176 4.727 4.550 0.001 0.000 0.291 127 Y C -1.275 174.412 175.900 -0.355 0.000 1.137 127 Y CA 0.100 58.056 58.100 -0.239 0.000 1.181 127 Y CB -1.736 36.522 38.460 -0.336 0.000 0.989 127 Y HN 0.363 nan 8.280 nan 0.000 0.527 128 P HA 0.016 nan 4.420 nan 0.000 0.258 128 P C 0.978 178.034 177.300 -0.407 0.000 1.403 128 P CA 0.327 62.901 63.100 -0.878 0.000 0.826 128 P CB -0.851 30.206 31.700 -1.071 0.000 1.414 129 F N 0.949 120.626 119.950 -0.455 0.000 2.031 129 F HA -0.214 4.314 4.527 0.001 0.000 0.295 129 F C 1.931 177.556 175.800 -0.291 0.000 1.133 129 F CA 1.377 59.207 58.000 -0.285 0.000 1.188 129 F CB -0.335 38.383 39.000 -0.471 0.000 0.974 129 F HN -0.238 nan 8.300 nan 0.000 0.473 130 L N 0.214 121.149 121.223 -0.479 0.000 2.012 130 L HA -0.271 4.070 4.340 0.001 0.000 0.210 130 L C 2.579 179.288 176.870 -0.268 0.000 1.073 130 L CA 1.821 56.347 54.840 -0.523 0.000 0.748 130 L CB -1.075 40.777 42.059 -0.345 0.000 0.891 130 L HN 0.367 nan 8.230 nan 0.000 0.431 131 Q N 0.551 120.277 119.800 -0.123 0.000 2.077 131 Q HA -0.264 4.077 4.340 0.001 0.000 0.206 131 Q C 2.026 177.982 176.000 -0.074 0.000 0.989 131 Q CA 2.055 57.846 55.803 -0.020 0.000 0.853 131 Q CB -0.023 28.723 28.738 0.012 0.000 0.907 131 Q HN 0.509 nan 8.270 nan 0.000 0.418 132 E N 0.111 120.269 120.200 -0.070 0.000 2.150 132 E HA -0.131 4.220 4.350 0.001 0.000 0.193 132 E C 2.069 178.666 176.600 -0.005 0.000 0.985 132 E CA 0.764 57.167 56.400 0.005 0.000 0.814 132 E CB -0.027 29.744 29.700 0.118 0.000 0.752 132 E HN 0.445 nan 8.360 nan 0.000 0.466 133 L N 0.378 121.497 121.223 -0.173 0.000 2.362 133 L HA -0.094 4.247 4.340 0.001 0.000 0.219 133 L C 2.235 179.054 176.870 -0.085 0.000 1.134 133 L CA 0.481 55.208 54.840 -0.188 0.000 0.807 133 L CB -0.210 41.556 42.059 -0.489 0.000 0.927 133 L HN 0.113 nan 8.230 nan 0.000 0.447 134 A N -0.569 122.201 122.820 -0.083 0.000 2.208 134 A HA 0.158 4.479 4.320 0.001 0.000 0.209 134 A C 1.105 178.662 177.584 -0.046 0.000 1.161 134 A CA -0.092 51.919 52.037 -0.044 0.000 0.782 134 A CB -0.144 18.864 19.000 0.013 0.000 0.816 134 A HN 0.217 nan 8.150 nan 0.000 0.477 135 L N -0.418 120.780 121.223 -0.042 0.000 2.467 135 L HA 0.117 4.457 4.340 0.001 0.000 0.270 135 L C -1.360 175.511 176.870 0.002 0.000 1.205 135 L CA -1.545 53.272 54.840 -0.037 0.000 0.828 135 L CB 0.520 42.593 42.059 0.023 0.000 1.101 135 L HN 0.048 nan 8.230 nan 0.000 0.479 136 P HA -0.129 nan 4.420 nan 0.000 0.220 136 P C -0.758 176.520 177.300 -0.036 0.000 1.144 136 P CA 1.206 64.317 63.100 0.017 0.000 0.800 136 P CB 0.138 31.863 31.700 0.043 0.000 0.772 137 R N -2.721 117.756 120.500 -0.038 0.000 2.736 137 R HA 0.220 4.561 4.340 0.001 0.000 0.250 137 R C -3.036 173.175 176.300 -0.148 0.000 1.098 137 R CA -1.164 54.840 56.100 -0.161 0.000 0.978 137 R CB 0.081 30.259 30.300 -0.203 0.000 1.263 137 R HN -0.243 nan 8.270 nan 0.000 0.460 138 P HA 0.193 nan 4.420 nan 0.000 0.268 138 P C -0.511 176.293 177.300 -0.827 0.000 1.329 138 P CA 0.042 62.680 63.100 -0.769 0.000 0.899 138 P CB 0.129 31.088 31.700 -1.235 0.000 1.378 139 F N 1.028 120.740 119.950 -0.396 0.000 2.894 139 F HA 0.346 4.873 4.527 0.001 0.000 0.310 139 F C 1.111 176.425 175.800 -0.810 0.000 1.204 139 F CA -0.499 57.130 58.000 -0.617 0.000 1.290 139 F CB 0.263 39.021 39.000 -0.402 0.000 1.317 139 F HN -0.330 nan 8.300 nan 0.000 0.545 140 R N -0.136 119.976 120.500 -0.647 0.000 2.854 140 R HA 0.540 4.881 4.340 0.001 0.000 0.271 140 R C -1.373 174.529 176.300 -0.663 0.000 0.994 140 R CA -0.995 54.682 56.100 -0.705 0.000 0.945 140 R CB 2.065 32.211 30.300 -0.258 0.000 1.194 140 R HN 0.059 nan 8.270 nan 0.000 0.476 141 F N 2.220 122.204 119.950 0.058 0.000 2.361 141 F HA 0.419 4.947 4.527 0.001 0.000 0.364 141 F C 0.491 176.479 175.800 0.315 0.000 1.120 141 F CA -0.587 57.529 58.000 0.193 0.000 1.102 141 F CB 0.864 40.026 39.000 0.270 0.000 1.183 141 F HN 0.187 nan 8.300 nan 0.000 0.476 142 I N 3.156 123.932 120.570 0.343 0.000 2.385 142 I HA 0.540 4.711 4.170 0.001 0.000 0.294 142 I C 0.266 176.671 176.117 0.481 0.000 0.988 142 I CA -0.825 60.738 61.300 0.440 0.000 1.265 142 I CB 1.095 39.133 38.000 0.063 0.000 1.388 142 I HN 0.716 nan 8.210 nan 0.000 0.480 143 A N 9.879 132.726 122.820 0.044 0.000 2.572 143 A HA 0.082 4.402 4.320 0.001 0.000 0.256 143 A C -1.641 175.764 177.584 -0.298 0.000 1.041 143 A CA -0.628 50.903 52.037 -0.844 0.000 0.790 143 A CB -0.591 17.802 19.000 -1.012 0.000 0.947 143 A HN 0.669 nan 8.150 nan 0.000 0.518 144 P HA -0.206 nan 4.420 nan 0.000 0.218 144 P C 1.520 178.430 177.300 -0.649 0.000 1.148 144 P CA 1.728 64.337 63.100 -0.818 0.000 0.822 144 P CB -0.147 31.182 31.700 -0.618 0.000 0.784 145 S N -0.779 114.700 115.700 -0.368 0.000 2.559 145 S HA -0.163 4.308 4.470 0.001 0.000 0.250 145 S C 1.466 175.987 174.600 -0.132 0.000 0.977 145 S CA 0.910 58.974 58.200 -0.226 0.000 0.958 145 S CB -0.921 62.170 63.200 -0.182 0.000 0.751 145 S HN 0.132 nan 8.310 nan 0.000 0.534 146 Q N 0.141 119.899 119.800 -0.069 0.000 2.198 146 Q HA 0.380 4.720 4.340 0.001 0.000 0.209 146 Q C -0.093 176.061 176.000 0.256 0.000 0.848 146 Q CA -0.202 55.649 55.803 0.079 0.000 0.974 146 Q CB -0.057 28.732 28.738 0.084 0.000 1.115 146 Q HN 0.661 nan 8.270 nan 0.000 0.494 147 F N 1.439 121.361 119.950 -0.047 0.000 2.426 147 F HA 0.197 4.725 4.527 0.001 0.000 0.309 147 F C 1.005 176.760 175.800 -0.075 0.000 1.246 147 F CA -0.431 57.542 58.000 -0.044 0.000 1.229 147 F CB 0.703 39.687 39.000 -0.028 0.000 1.255 147 F HN -0.326 nan 8.300 nan 0.000 0.558 148 K N 1.922 122.395 120.400 0.123 0.000 2.483 148 K HA 0.281 4.602 4.320 0.001 0.000 0.256 148 K C -0.661 175.940 176.600 0.001 0.000 0.961 148 K CA -0.571 55.731 56.287 0.025 0.000 0.873 148 K CB 1.583 34.086 32.500 0.005 0.000 1.107 148 K HN 0.698 nan 8.250 nan 0.000 0.432 149 N N 0.956 119.617 118.700 -0.065 0.000 1.404 149 N HA -0.247 4.494 4.740 0.001 0.000 0.158 149 N C -0.305 174.998 175.510 -0.344 0.000 0.802 149 N CA 1.409 54.385 53.050 -0.124 0.000 1.056 149 N CB -0.733 37.773 38.487 0.031 0.000 1.314 149 N HN 0.720 nan 8.380 nan 0.000 0.482 150 H N 0.855 120.022 119.070 0.162 0.000 2.562 150 H HA 0.325 4.882 4.556 0.001 0.000 0.249 150 H C -0.548 174.955 175.328 0.290 0.000 1.195 150 H CA -0.008 56.208 56.048 0.280 0.000 0.938 150 H CB 0.186 30.059 29.762 0.184 0.000 1.891 150 H HN 0.256 nan 8.280 nan 0.000 0.595 151 E N 0.255 120.561 120.200 0.176 0.000 2.312 151 E HA 0.299 4.650 4.350 0.001 0.000 0.267 151 E C 0.187 176.612 176.600 -0.293 0.000 0.894 151 E CA -0.582 55.790 56.400 -0.047 0.000 0.773 151 E CB 2.490 32.187 29.700 -0.005 0.000 1.241 151 E HN 0.013 nan 8.360 nan 0.000 0.432 152 T N -0.032 114.287 114.554 -0.391 0.000 2.959 152 T HA 0.011 4.362 4.350 0.001 0.000 0.254 152 T C 1.688 176.296 174.700 -0.153 0.000 1.003 152 T CA 0.130 62.029 62.100 -0.336 0.000 0.950 152 T CB 0.066 68.705 68.868 -0.382 0.000 1.090 152 T HN 0.481 nan 8.240 nan 0.000 0.503 153 M N 0.872 120.405 119.600 -0.111 0.000 2.446 153 M HA 0.128 4.609 4.480 0.001 0.000 0.263 153 M C 0.992 177.261 176.300 -0.051 0.000 1.066 153 M CA 1.575 56.838 55.300 -0.063 0.000 1.087 153 M CB -0.844 31.723 32.600 -0.055 0.000 1.406 153 M HN 0.022 nan 8.290 nan 0.000 0.459 154 N N 0.497 119.164 118.700 -0.055 0.000 2.220 154 N HA 0.407 5.148 4.740 0.001 0.000 0.195 154 N C 0.044 175.531 175.510 -0.039 0.000 1.123 154 N CA 0.245 53.273 53.050 -0.037 0.000 0.874 154 N CB 1.115 39.587 38.487 -0.025 0.000 0.995 154 N HN 0.561 nan 8.380 nan 0.000 0.498 155 G N 0.697 109.463 108.800 -0.055 0.000 2.326 155 G HA2 0.160 4.120 3.960 0.001 0.000 0.413 155 G HA3 0.160 4.120 3.960 0.001 0.000 0.413 155 G C -1.454 173.413 174.900 -0.057 0.000 1.444 155 G CA -0.923 44.146 45.100 -0.051 0.000 1.002 155 G HN 0.116 nan 8.290 nan 0.000 0.649 156 I N -2.355 118.189 120.570 -0.042 0.000 3.206 156 I HA 0.760 4.931 4.170 0.001 0.000 0.313 156 I C 0.894 177.014 176.117 0.005 0.000 1.103 156 I CA -1.392 59.901 61.300 -0.012 0.000 0.985 156 I CB 1.916 39.906 38.000 -0.016 0.000 1.240 156 I HN 0.579 nan 8.210 nan 0.000 0.464 157 K N 1.351 121.767 120.400 0.027 0.000 2.107 157 K HA 0.497 4.818 4.320 0.001 0.000 0.211 157 K C 0.340 176.947 176.600 0.012 0.000 1.024 157 K CA 0.684 56.980 56.287 0.014 0.000 0.953 157 K CB -0.014 32.495 32.500 0.015 0.000 0.831 157 K HN 0.733 nan 8.250 nan 0.000 0.454 158 A N 2.063 124.898 122.820 0.025 0.000 2.343 158 A HA 0.354 4.675 4.320 0.001 0.000 0.316 158 A C -2.529 175.093 177.584 0.063 0.000 1.104 158 A CA -1.666 50.386 52.037 0.025 0.000 0.768 158 A CB 0.773 19.783 19.000 0.016 0.000 1.213 158 A HN 0.065 nan 8.150 nan 0.000 0.456 159 P HA 0.096 nan 4.420 nan 0.000 0.235 159 P C -0.722 176.666 177.300 0.147 0.000 1.720 159 P CA 0.322 63.503 63.100 0.134 0.000 1.003 159 P CB -0.541 31.179 31.700 0.033 0.000 1.968 160 I N 1.479 122.179 120.570 0.216 0.000 2.312 160 I HA 0.422 4.593 4.170 0.001 0.000 0.291 160 I C 1.218 177.639 176.117 0.508 0.000 1.031 160 I CA 0.441 61.891 61.300 0.251 0.000 1.293 160 I CB 1.114 39.218 38.000 0.173 0.000 1.403 160 I HN 0.159 nan 8.210 nan 0.000 0.484 161 G N 2.611 111.651 108.800 0.400 0.000 3.211 161 G HA2 0.500 4.461 3.960 0.001 0.000 0.262 161 G HA3 0.500 4.461 3.960 0.001 0.000 0.262 161 G C 0.287 175.364 174.900 0.294 0.000 1.352 161 G CA 0.115 45.521 45.100 0.510 0.000 1.004 161 G HN 0.437 nan 8.290 nan 0.000 0.559 162 T N -2.531 112.085 114.554 0.103 0.000 3.054 162 T HA 0.390 4.741 4.350 0.001 0.000 0.255 162 T C 1.198 176.054 174.700 0.260 0.000 1.035 162 T CA 0.695 62.824 62.100 0.048 0.000 0.941 162 T CB 0.074 68.813 68.868 -0.216 0.000 1.026 162 T HN 0.842 nan 8.240 nan 0.000 0.533 163 G N 2.371 111.274 108.800 0.172 0.000 2.716 163 G HA2 0.373 4.334 3.960 0.001 0.000 0.251 163 G HA3 0.373 4.334 3.960 0.001 0.000 0.251 163 G C -1.586 173.157 174.900 -0.263 0.000 1.224 163 G CA -1.150 43.998 45.100 0.080 0.000 0.891 163 G HN 0.124 nan 8.290 nan 0.000 0.561 164 P HA 0.043 nan 4.420 nan 0.000 0.237 164 P C -0.563 176.086 177.300 -1.085 0.000 1.178 164 P CA 0.687 62.958 63.100 -1.381 0.000 0.766 164 P CB 0.177 30.891 31.700 -1.645 0.000 0.876 165 W N -0.438 120.761 121.300 -0.169 0.000 2.819 165 W HA 0.543 5.204 4.660 0.001 0.000 0.337 165 W C -0.468 176.096 176.519 0.076 0.000 1.077 165 W CA -0.722 56.612 57.345 -0.018 0.000 1.226 165 W CB 1.480 30.919 29.460 -0.036 0.000 1.419 165 W HN -0.374 nan 8.180 nan 0.000 0.502 166 I N 3.285 124.077 120.570 0.370 0.000 2.436 166 I HA 0.229 4.400 4.170 0.001 0.000 0.289 166 I C -0.245 175.897 176.117 0.042 0.000 1.010 166 I CA -1.109 60.292 61.300 0.168 0.000 1.098 166 I CB 1.593 39.643 38.000 0.084 0.000 1.266 166 I HN 0.232 nan 8.210 nan 0.000 0.434 167 L N 6.441 127.552 121.223 -0.186 0.000 2.565 167 L HA 0.013 4.353 4.340 0.001 0.000 0.275 167 L C 1.337 178.048 176.870 -0.266 0.000 1.137 167 L CA 0.563 55.080 54.840 -0.539 0.000 0.915 167 L CB 0.693 42.456 42.059 -0.493 0.000 1.232 167 L HN 0.795 nan 8.230 nan 0.000 0.473 168 Q N 3.897 123.561 119.800 -0.226 0.000 2.096 168 Q HA -0.008 4.333 4.340 0.001 0.000 0.197 168 Q C 0.203 176.152 176.000 -0.086 0.000 0.964 168 Q CA 0.996 56.741 55.803 -0.097 0.000 0.838 168 Q CB 0.462 29.177 28.738 -0.038 0.000 0.906 168 Q HN 0.722 nan 8.270 nan 0.000 0.444 169 E N -0.511 119.623 120.200 -0.110 0.000 2.378 169 E HA 0.296 4.646 4.350 0.001 0.000 0.283 169 E C -2.029 174.544 176.600 -0.046 0.000 0.979 169 E CA -0.480 55.899 56.400 -0.036 0.000 0.795 169 E CB 1.897 31.635 29.700 0.064 0.000 1.221 169 E HN 0.055 nan 8.360 nan 0.000 0.428 170 S N 3.359 119.017 115.700 -0.070 0.000 2.614 170 S HA 0.546 5.017 4.470 0.001 0.000 0.275 170 S C -1.684 172.805 174.600 -0.186 0.000 1.161 170 S CA -0.761 57.367 58.200 -0.120 0.000 0.969 170 S CB 1.239 64.357 63.200 -0.137 0.000 1.059 170 S HN 0.456 nan 8.310 nan 0.000 0.482 171 K N 4.997 125.190 120.400 -0.345 0.000 2.621 171 K HA 0.455 4.776 4.320 0.001 0.000 0.233 171 K C -0.656 175.749 176.600 -0.325 0.000 0.972 171 K CA -0.664 55.370 56.287 -0.423 0.000 0.988 171 K CB 0.922 32.913 32.500 -0.849 0.000 1.187 171 K HN 0.749 nan 8.250 nan 0.000 0.471 172 L N 3.611 124.727 121.223 -0.177 0.000 2.514 172 L HA 0.184 4.525 4.340 0.001 0.000 0.280 172 L C -0.638 176.171 176.870 -0.102 0.000 1.223 172 L CA 0.113 54.888 54.840 -0.107 0.000 0.864 172 L CB 0.394 42.411 42.059 -0.070 0.000 1.118 172 L HN 0.728 nan 8.230 nan 0.000 0.494 173 N N 3.778 122.442 118.700 -0.059 0.000 2.949 173 N HA 0.223 4.964 4.740 0.001 0.000 0.243 173 N C -0.354 175.145 175.510 -0.018 0.000 1.113 173 N CA -0.497 52.535 53.050 -0.029 0.000 0.980 173 N CB 1.367 39.856 38.487 0.003 0.000 1.256 173 N HN 0.766 nan 8.380 nan 0.000 0.508 174 Q N 0.375 120.133 119.800 -0.070 0.000 2.519 174 Q HA 0.204 4.545 4.340 0.001 0.000 0.248 174 Q C -0.943 175.129 176.000 0.121 0.000 0.804 174 Q CA 0.016 55.806 55.803 -0.021 0.000 0.979 174 Q CB 1.095 29.752 28.738 -0.134 0.000 1.282 174 Q HN 0.719 nan 8.270 nan 0.000 0.558 175 Y N -2.543 117.807 120.300 0.084 0.000 2.717 175 Y HA 0.439 4.990 4.550 0.001 0.000 0.345 175 Y C -2.231 173.727 175.900 0.097 0.000 1.187 175 Y CA -1.415 56.755 58.100 0.116 0.000 1.128 175 Y CB 0.812 39.328 38.460 0.092 0.000 1.360 175 Y HN -0.254 nan 8.280 nan 0.000 0.467 176 D N 1.894 122.544 120.400 0.416 0.000 2.646 176 D HA 0.575 5.216 4.640 0.001 0.000 0.245 176 D C -1.256 175.235 176.300 0.318 0.000 1.099 176 D CA -0.512 53.633 54.000 0.240 0.000 0.849 176 D CB 3.284 44.148 40.800 0.106 0.000 1.448 176 D HN 0.448 nan 8.370 nan 0.000 0.489 177 V N 2.482 122.467 119.914 0.117 0.000 2.555 177 V HA 0.501 4.622 4.120 0.001 0.000 0.302 177 V C -0.700 175.345 176.094 -0.082 0.000 1.038 177 V CA -0.630 61.733 62.300 0.104 0.000 0.887 177 V CB 1.362 33.222 31.823 0.063 0.000 0.991 177 V HN 0.377 nan 8.190 nan 0.000 0.434 178 F N 3.223 123.211 119.950 0.063 0.000 2.551 178 F HA 0.763 5.291 4.527 0.001 0.000 0.316 178 F C 0.012 175.878 175.800 0.111 0.000 1.089 178 F CA -0.813 57.225 58.000 0.064 0.000 0.915 178 F CB 2.272 41.275 39.000 0.005 0.000 1.186 178 F HN 0.398 nan 8.300 nan 0.000 0.456 179 V N 0.383 120.498 119.914 0.335 0.000 2.864 179 V HA 0.637 4.758 4.120 0.001 0.000 0.314 179 V C -0.298 175.994 176.094 0.330 0.000 1.073 179 V CA -1.332 61.133 62.300 0.275 0.000 0.956 179 V CB 1.740 33.641 31.823 0.130 0.000 1.023 179 V HN 0.836 nan 8.190 nan 0.000 0.435 180 R N 2.725 123.366 120.500 0.234 0.000 2.484 180 R HA 0.088 4.429 4.340 0.001 0.000 0.293 180 R C 0.267 176.510 176.300 -0.096 0.000 1.023 180 R CA 0.280 56.335 56.100 -0.075 0.000 1.037 180 R CB 0.004 30.211 30.300 -0.155 0.000 0.951 180 R HN 0.994 nan 8.270 nan 0.000 0.418 181 N N 2.594 121.177 118.700 -0.196 0.000 2.438 181 N HA -0.078 4.663 4.740 0.001 0.000 0.267 181 N C 0.165 175.632 175.510 -0.072 0.000 1.222 181 N CA -0.017 52.974 53.050 -0.100 0.000 0.930 181 N CB 0.952 39.376 38.487 -0.106 0.000 1.083 181 N HN 0.616 nan 8.380 nan 0.000 0.476 182 E N 2.165 122.356 120.200 -0.015 0.000 2.299 182 E HA 0.059 4.410 4.350 0.001 0.000 0.193 182 E C -0.196 176.419 176.600 0.026 0.000 0.998 182 E CA 0.640 57.038 56.400 -0.003 0.000 0.851 182 E CB 0.211 29.913 29.700 0.002 0.000 0.795 182 E HN 0.579 nan 8.360 nan 0.000 0.492 183 N N 0.577 119.308 118.700 0.052 0.000 2.714 183 N HA -0.005 4.736 4.740 0.001 0.000 0.298 183 N C -1.160 174.407 175.510 0.094 0.000 1.298 183 N CA -0.118 52.970 53.050 0.064 0.000 1.007 183 N CB 0.207 38.736 38.487 0.070 0.000 1.318 183 N HN 0.112 nan 8.380 nan 0.000 0.516 184 Y N 1.203 121.461 120.300 -0.070 0.000 2.320 184 Y HA 0.150 4.701 4.550 0.001 0.000 0.334 184 Y C 1.457 177.272 175.900 -0.142 0.000 1.055 184 Y CA -1.324 56.691 58.100 -0.140 0.000 1.143 184 Y CB 0.563 38.855 38.460 -0.281 0.000 1.193 184 Y HN 0.220 nan 8.280 nan 0.000 0.477 185 W N 4.647 125.440 121.300 -0.845 0.000 2.402 185 W HA 0.159 4.820 4.660 0.001 0.000 0.286 185 W C 0.261 176.327 176.519 -0.755 0.000 1.221 185 W CA 0.711 57.652 57.345 -0.673 0.000 1.257 185 W CB -0.960 28.157 29.460 -0.571 0.000 1.120 185 W HN 0.693 nan 8.180 nan 0.000 0.551 186 G N 1.179 108.571 108.800 -2.347 0.000 2.574 186 G HA2 0.168 4.129 3.960 0.001 0.000 0.248 186 G HA3 0.168 4.129 3.960 0.001 0.000 0.248 186 G C -0.516 174.086 174.900 -0.496 0.000 1.422 186 G CA -0.808 43.362 45.100 -1.550 0.000 1.051 186 G HN 0.035 nan 8.290 nan 0.000 0.560 187 E N 0.213 120.293 120.200 -0.200 0.000 2.413 187 E HA 0.059 4.410 4.350 0.001 0.000 0.263 187 E C -0.178 176.419 176.600 -0.005 0.000 1.015 187 E CA 0.129 56.496 56.400 -0.055 0.000 0.916 187 E CB 1.025 30.716 29.700 -0.014 0.000 0.947 187 E HN 0.229 nan 8.360 nan 0.000 0.440 188 K N 3.966 124.345 120.400 -0.034 0.000 2.383 188 K HA 0.111 4.432 4.320 0.001 0.000 0.286 188 K C -2.256 174.285 176.600 -0.099 0.000 1.051 188 K CA -1.472 54.771 56.287 -0.074 0.000 0.974 188 K CB 0.323 32.792 32.500 -0.051 0.000 0.968 188 K HN 0.134 nan 8.250 nan 0.000 0.475 189 P HA -0.020 nan 4.420 nan 0.000 0.268 189 P C -0.232 177.048 177.300 -0.033 0.000 1.204 189 P CA -0.017 63.002 63.100 -0.135 0.000 0.768 189 P CB 1.241 32.705 31.700 -0.395 0.000 0.842 190 A N 3.735 126.581 122.820 0.042 0.000 1.933 190 A HA -0.089 4.232 4.320 0.001 0.000 0.218 190 A C 1.009 178.647 177.584 0.091 0.000 1.175 190 A CA 0.966 53.035 52.037 0.053 0.000 0.628 190 A CB -0.886 18.146 19.000 0.053 0.000 0.814 190 A HN 0.538 nan 8.150 nan 0.000 0.444 191 I N 0.232 120.912 120.570 0.183 0.000 2.529 191 I HA 0.055 4.226 4.170 0.001 0.000 0.284 191 I C 1.148 177.428 176.117 0.271 0.000 1.082 191 I CA 0.202 61.637 61.300 0.225 0.000 1.406 191 I CB 1.338 39.491 38.000 0.255 0.000 1.405 191 I HN 0.203 nan 8.210 nan 0.000 0.548 192 K N 4.782 125.286 120.400 0.175 0.000 2.354 192 K HA 0.209 4.530 4.320 0.001 0.000 0.194 192 K C 0.351 177.072 176.600 0.201 0.000 1.038 192 K CA 0.099 56.478 56.287 0.154 0.000 1.052 192 K CB 0.495 33.037 32.500 0.070 0.000 0.861 192 K HN 0.410 nan 8.250 nan 0.000 0.535 193 K N 1.338 121.838 120.400 0.165 0.000 2.543 193 K HA 0.373 4.693 4.320 0.001 0.000 0.255 193 K C -1.793 174.790 176.600 -0.029 0.000 0.934 193 K CA -0.456 55.896 56.287 0.109 0.000 0.810 193 K CB 1.582 34.117 32.500 0.058 0.000 1.315 193 K HN -0.079 nan 8.250 nan 0.000 0.433 194 I N 2.508 123.021 120.570 -0.095 0.000 2.465 194 I HA 0.321 4.491 4.170 0.001 0.000 0.291 194 I C -0.675 175.374 176.117 -0.114 0.000 1.014 194 I CA -0.840 60.280 61.300 -0.301 0.000 1.093 194 I CB 2.392 39.940 38.000 -0.754 0.000 1.267 194 I HN 0.489 nan 8.210 nan 0.000 0.431 195 T N 5.731 120.168 114.554 -0.195 0.000 2.786 195 T HA 0.490 4.841 4.350 0.001 0.000 0.283 195 T C -0.558 174.085 174.700 -0.095 0.000 0.992 195 T CA -0.348 61.738 62.100 -0.022 0.000 0.954 195 T CB 0.430 69.260 68.868 -0.063 0.000 0.934 195 T HN 0.094 nan 8.240 nan 0.000 0.440 196 F N 3.329 123.346 119.950 0.111 0.000 2.390 196 F HA 0.356 4.884 4.527 0.001 0.000 0.361 196 F C 0.930 176.852 175.800 0.204 0.000 1.124 196 F CA -1.150 56.949 58.000 0.166 0.000 1.149 196 F CB 0.318 39.462 39.000 0.240 0.000 1.160 196 F HN 0.339 nan 8.300 nan 0.000 0.501 197 N N 2.270 121.135 118.700 0.276 0.000 2.488 197 N HA 0.192 4.932 4.740 0.001 0.000 0.274 197 N C -0.612 175.064 175.510 0.276 0.000 1.111 197 N CA -0.266 52.936 53.050 0.254 0.000 0.974 197 N CB 1.458 40.036 38.487 0.151 0.000 1.089 197 N HN 0.212 nan 8.380 nan 0.000 0.465 198 V N 4.370 124.434 119.914 0.250 0.000 2.427 198 V HA 0.290 4.411 4.120 0.001 0.000 0.268 198 V C 0.439 176.616 176.094 0.139 0.000 1.046 198 V CA -0.131 62.294 62.300 0.208 0.000 0.970 198 V CB -0.308 31.611 31.823 0.161 0.000 1.001 198 V HN 0.479 nan 8.190 nan 0.000 0.476 199 I N 7.371 128.009 120.570 0.112 0.000 2.603 199 I HA 0.269 4.440 4.170 0.001 0.000 0.276 199 I C -1.683 174.444 176.117 0.017 0.000 1.133 199 I CA -1.318 60.020 61.300 0.064 0.000 1.070 199 I CB 2.230 40.271 38.000 0.069 0.000 1.215 199 I HN 0.385 nan 8.210 nan 0.000 0.487 200 P HA -0.128 nan 4.420 nan 0.000 0.218 200 P C 0.258 177.529 177.300 -0.050 0.000 1.149 200 P CA 1.153 64.233 63.100 -0.033 0.000 0.817 200 P CB 0.280 31.970 31.700 -0.016 0.000 0.785 201 D N -0.431 119.951 120.400 -0.030 0.000 2.225 201 D HA 0.161 4.802 4.640 0.001 0.000 0.248 201 D C -1.579 174.696 176.300 -0.042 0.000 1.096 201 D CA -2.496 51.483 54.000 -0.035 0.000 0.863 201 D CB 1.411 42.200 40.800 -0.018 0.000 1.156 201 D HN -0.158 nan 8.370 nan 0.000 0.450 202 P HA -0.113 nan 4.420 nan 0.000 0.216 202 P C 1.111 178.383 177.300 -0.047 0.000 1.153 202 P CA 1.160 64.219 63.100 -0.070 0.000 0.848 202 P CB 0.149 31.792 31.700 -0.094 0.000 0.787 203 T N -0.837 113.693 114.554 -0.040 0.000 2.708 203 T HA -0.129 4.222 4.350 0.001 0.000 0.266 203 T C 1.736 176.445 174.700 0.015 0.000 1.037 203 T CA 2.112 64.199 62.100 -0.022 0.000 1.146 203 T CB -1.363 67.491 68.868 -0.023 0.000 0.865 203 T HN 0.195 nan 8.240 nan 0.000 0.435 204 T N 1.824 116.387 114.554 0.015 0.000 2.788 204 T HA -0.058 4.293 4.350 0.001 0.000 0.268 204 T C 2.110 176.842 174.700 0.053 0.000 1.044 204 T CA 0.886 63.007 62.100 0.034 0.000 1.139 204 T CB -0.156 68.727 68.868 0.024 0.000 0.867 204 T HN 0.347 nan 8.240 nan 0.000 0.454 205 R N 0.783 121.309 120.500 0.043 0.000 2.096 205 R HA 0.033 4.374 4.340 0.001 0.000 0.235 205 R C 2.807 179.186 176.300 0.132 0.000 1.127 205 R CA 1.254 57.396 56.100 0.070 0.000 0.968 205 R CB -0.419 29.900 30.300 0.032 0.000 0.861 205 R HN 0.383 nan 8.270 nan 0.000 0.440 206 A N 0.493 123.386 122.820 0.122 0.000 1.930 206 A HA -0.085 4.236 4.320 0.001 0.000 0.217 206 A C 2.297 180.061 177.584 0.301 0.000 1.175 206 A CA 1.147 53.332 52.037 0.246 0.000 0.627 206 A CB -0.320 18.729 19.000 0.081 0.000 0.815 206 A HN 0.108 nan 8.150 nan 0.000 0.443 207 V N -0.142 119.876 119.914 0.173 0.000 2.358 207 V HA -0.203 3.918 4.120 0.001 0.000 0.246 207 V C 3.031 179.190 176.094 0.109 0.000 1.047 207 V CA 1.739 64.124 62.300 0.142 0.000 1.035 207 V CB -1.205 30.671 31.823 0.088 0.000 0.658 207 V HN 0.590 nan 8.190 nan 0.000 0.452 208 A N -0.477 122.402 122.820 0.098 0.000 1.978 208 A HA -0.256 4.065 4.320 0.001 0.000 0.220 208 A C 2.106 179.712 177.584 0.037 0.000 1.170 208 A CA 2.066 54.139 52.037 0.060 0.000 0.636 208 A CB -0.695 18.347 19.000 0.071 0.000 0.810 208 A HN 0.555 nan 8.150 nan 0.000 0.448 209 F N 0.776 120.715 119.950 -0.018 0.000 2.206 209 F HA -0.071 4.457 4.527 0.001 0.000 0.298 209 F C 2.151 177.823 175.800 -0.213 0.000 1.090 209 F CA 1.867 59.793 58.000 -0.124 0.000 1.323 209 F CB -0.145 38.766 39.000 -0.148 0.000 1.028 209 F HN 0.332 nan 8.300 nan 0.000 0.492 210 E N -0.499 119.662 120.200 -0.065 0.000 2.204 210 E HA -0.202 4.148 4.350 0.001 0.000 0.195 210 E C 2.108 178.630 176.600 -0.131 0.000 0.990 210 E CA 1.607 57.948 56.400 -0.099 0.000 0.821 210 E CB -0.394 29.375 29.700 0.115 0.000 0.750 210 E HN 0.532 nan 8.360 nan 0.000 0.477 211 T N -2.572 111.914 114.554 -0.113 0.000 3.051 211 T HA -0.004 4.347 4.350 0.001 0.000 0.269 211 T C 1.639 176.247 174.700 -0.153 0.000 1.127 211 T CA 0.983 63.026 62.100 -0.096 0.000 1.107 211 T CB 0.026 68.858 68.868 -0.060 0.000 0.898 211 T HN 0.328 nan 8.240 nan 0.000 0.517 212 G N 1.015 109.645 108.800 -0.283 0.000 2.195 212 G HA2 -0.240 3.721 3.960 0.001 0.000 0.246 212 G HA3 -0.240 3.721 3.960 0.001 0.000 0.246 212 G C 0.577 175.337 174.900 -0.233 0.000 0.984 212 G CA 0.327 45.258 45.100 -0.282 0.000 0.633 212 G HN 0.547 nan 8.290 nan 0.000 0.525 213 D N 0.194 120.483 120.400 -0.185 0.000 2.323 213 D HA 0.151 4.791 4.640 0.001 0.000 0.209 213 D C 1.194 177.428 176.300 -0.110 0.000 0.973 213 D CA 0.575 54.502 54.000 -0.121 0.000 0.874 213 D CB 0.379 41.135 40.800 -0.074 0.000 0.930 213 D HN 0.438 nan 8.370 nan 0.000 0.521 214 I N 1.415 121.899 120.570 -0.144 0.000 2.362 214 I HA 0.100 4.271 4.170 0.001 0.000 0.289 214 I C 0.809 176.898 176.117 -0.046 0.000 0.994 214 I CA -0.323 60.951 61.300 -0.044 0.000 1.158 214 I CB 2.047 40.095 38.000 0.079 0.000 1.315 214 I HN -0.253 nan 8.210 nan 0.000 0.451 215 D N 5.152 125.557 120.400 0.008 0.000 2.194 215 D HA 0.105 4.745 4.640 0.001 0.000 0.204 215 D C 0.389 176.805 176.300 0.194 0.000 0.964 215 D CA 1.169 55.201 54.000 0.053 0.000 0.846 215 D CB 1.305 42.110 40.800 0.008 0.000 0.962 215 D HN 0.284 nan 8.370 nan 0.000 0.490 216 L N 0.957 122.294 121.223 0.189 0.000 2.526 216 L HA 0.346 4.687 4.340 0.001 0.000 0.263 216 L C -1.780 175.185 176.870 0.158 0.000 0.943 216 L CA -0.416 54.527 54.840 0.172 0.000 0.859 216 L CB 2.268 44.409 42.059 0.137 0.000 1.313 216 L HN -0.204 nan 8.230 nan 0.000 0.406 217 L N 4.279 125.569 121.223 0.111 0.000 2.362 217 L HA 0.559 4.900 4.340 0.001 0.000 0.271 217 L C -1.587 175.368 176.870 0.143 0.000 1.002 217 L CA -0.697 54.212 54.840 0.114 0.000 0.818 217 L CB 2.302 44.385 42.059 0.040 0.000 1.298 217 L HN 0.500 nan 8.230 nan 0.000 0.420 218 Y N 1.554 121.877 120.300 0.039 0.000 2.399 218 Y HA 0.681 5.232 4.550 0.001 0.000 0.327 218 Y C -0.072 175.879 175.900 0.085 0.000 1.111 218 Y CA -0.218 57.901 58.100 0.030 0.000 1.047 218 Y CB 2.161 40.606 38.460 -0.025 0.000 1.259 218 Y HN 0.684 nan 8.280 nan 0.000 0.434 219 G N 3.620 112.508 108.800 0.146 0.000 2.336 219 G HA2 0.163 4.123 3.960 0.001 0.000 0.286 219 G HA3 0.163 4.123 3.960 0.001 0.000 0.286 219 G C -1.704 173.171 174.900 -0.043 0.000 1.269 219 G CA -0.661 44.516 45.100 0.130 0.000 0.873 219 G HN 0.811 nan 8.290 nan 0.000 0.494 220 N N -0.812 117.848 118.700 -0.066 0.000 2.620 220 N HA 0.362 5.103 4.740 0.001 0.000 0.307 220 N C 1.095 176.501 175.510 -0.173 0.000 1.316 220 N CA 0.405 53.394 53.050 -0.102 0.000 0.931 220 N CB -0.029 38.428 38.487 -0.049 0.000 1.116 220 N HN 0.538 nan 8.380 nan 0.000 0.573 221 E N -1.468 118.633 120.200 -0.165 0.000 2.273 221 E HA -0.026 4.324 4.350 0.001 0.000 0.198 221 E C 1.556 178.042 176.600 -0.190 0.000 1.002 221 E CA 1.592 57.879 56.400 -0.189 0.000 0.828 221 E CB -0.900 28.715 29.700 -0.142 0.000 0.747 221 E HN 0.746 nan 8.360 nan 0.000 0.491 222 G N 0.406 109.102 108.800 -0.173 0.000 2.920 222 G HA2 -0.062 3.899 3.960 0.001 0.000 0.208 222 G HA3 -0.062 3.899 3.960 0.001 0.000 0.208 222 G C 1.267 176.053 174.900 -0.191 0.000 1.159 222 G CA 0.085 45.080 45.100 -0.174 0.000 0.784 222 G HN 0.186 nan 8.290 nan 0.000 0.535 223 L N 0.376 121.475 121.223 -0.205 0.000 1.990 223 L HA 0.171 4.511 4.340 0.001 0.000 0.213 223 L C 1.079 177.853 176.870 -0.161 0.000 1.072 223 L CA 1.792 56.517 54.840 -0.192 0.000 0.755 223 L CB -0.224 41.722 42.059 -0.187 0.000 0.889 223 L HN 0.337 nan 8.230 nan 0.000 0.432 224 L N -5.775 115.344 121.223 -0.174 0.000 2.502 224 L HA 0.619 4.960 4.340 0.001 0.000 0.253 224 L C -2.769 173.996 176.870 -0.175 0.000 1.070 224 L CA -1.921 52.829 54.840 -0.149 0.000 0.871 224 L CB 1.005 42.993 42.059 -0.119 0.000 1.487 224 L HN -0.314 nan 8.230 nan 0.000 0.408 225 P HA 0.298 nan 4.420 nan 0.000 0.271 225 P C 0.424 177.587 177.300 -0.229 0.000 1.218 225 P CA -0.252 62.735 63.100 -0.189 0.000 0.780 225 P CB 0.913 32.505 31.700 -0.180 0.000 0.901 226 L N 1.338 122.422 121.223 -0.233 0.000 2.341 226 L HA -0.065 4.275 4.340 0.001 0.000 0.214 226 L C 1.870 178.455 176.870 -0.475 0.000 1.115 226 L CA 1.021 55.727 54.840 -0.222 0.000 0.820 226 L CB -0.597 41.395 42.059 -0.112 0.000 0.944 226 L HN 0.429 nan 8.230 nan 0.000 0.452 227 D N -1.223 118.717 120.400 -0.766 0.000 2.149 227 D HA -0.151 4.490 4.640 0.001 0.000 0.201 227 D C 1.786 177.766 176.300 -0.533 0.000 0.972 227 D CA 1.518 54.861 54.000 -1.095 0.000 0.835 227 D CB -0.570 39.699 40.800 -0.886 0.000 0.966 227 D HN 0.137 nan 8.370 nan 0.000 0.476 228 T N 0.214 114.512 114.554 -0.427 0.000 2.777 228 T HA -0.068 4.283 4.350 0.001 0.000 0.266 228 T C 1.520 175.836 174.700 -0.641 0.000 1.040 228 T CA 0.815 62.605 62.100 -0.517 0.000 1.141 228 T CB -0.633 67.895 68.868 -0.566 0.000 0.868 228 T HN 0.163 nan 8.240 nan 0.000 0.444 229 F N 2.617 122.220 119.950 -0.577 0.000 2.091 229 F HA -0.108 4.420 4.527 0.001 0.000 0.299 229 F C 2.454 178.143 175.800 -0.186 0.000 1.103 229 F CA 1.179 58.958 58.000 -0.368 0.000 1.228 229 F CB -0.692 38.158 39.000 -0.251 0.000 0.984 229 F HN 0.149 nan 8.300 nan 0.000 0.477 230 A N 0.667 123.383 122.820 -0.174 0.000 1.933 230 A HA -0.157 4.164 4.320 0.001 0.000 0.218 230 A C 2.359 179.858 177.584 -0.142 0.000 1.175 230 A CA 1.323 53.262 52.037 -0.163 0.000 0.628 230 A CB -0.645 18.374 19.000 0.031 0.000 0.814 230 A HN 0.357 nan 8.150 nan 0.000 0.444 231 R N -1.174 119.248 120.500 -0.131 0.000 2.073 231 R HA -0.095 4.246 4.340 0.001 0.000 0.234 231 R C 1.809 178.191 176.300 0.137 0.000 1.134 231 R CA 1.242 57.342 56.100 -0.001 0.000 0.952 231 R CB -0.798 29.520 30.300 0.031 0.000 0.850 231 R HN 0.557 nan 8.270 nan 0.000 0.433 232 F N 1.254 121.151 119.950 -0.088 0.000 2.161 232 F HA -0.178 4.350 4.527 0.001 0.000 0.300 232 F C 2.655 178.382 175.800 -0.122 0.000 1.089 232 F CA 1.464 59.473 58.000 0.016 0.000 1.282 232 F CB -1.279 37.709 39.000 -0.019 0.000 1.010 232 F HN 0.103 nan 8.300 nan 0.000 0.485 233 S N -0.505 115.101 115.700 -0.157 0.000 2.447 233 S HA -0.194 4.277 4.470 0.001 0.000 0.233 233 S C 1.558 176.099 174.600 -0.099 0.000 1.006 233 S CA 0.899 58.952 58.200 -0.245 0.000 0.957 233 S CB -0.603 62.321 63.200 -0.460 0.000 0.773 233 S HN 0.554 nan 8.310 nan 0.000 0.507 234 Q N 0.819 120.587 119.800 -0.054 0.000 2.403 234 Q HA 0.233 4.574 4.340 0.001 0.000 0.203 234 Q C -0.013 175.956 176.000 -0.050 0.000 0.932 234 Q CA -0.145 55.635 55.803 -0.039 0.000 0.945 234 Q CB 0.006 28.731 28.738 -0.022 0.000 1.045 234 Q HN 0.456 nan 8.270 nan 0.000 0.511 235 N N 1.330 119.988 118.700 -0.070 0.000 2.420 235 N HA 0.098 4.839 4.740 0.001 0.000 0.249 235 N C -2.190 173.222 175.510 -0.163 0.000 1.033 235 N CA -1.874 51.066 53.050 -0.184 0.000 0.944 235 N CB 1.448 39.698 38.487 -0.395 0.000 1.113 235 N HN -0.134 nan 8.380 nan 0.000 0.502 236 P HA -0.006 nan 4.420 nan 0.000 0.228 236 P C 0.296 177.555 177.300 -0.069 0.000 1.151 236 P CA 0.713 63.772 63.100 -0.069 0.000 0.770 236 P CB 0.361 32.025 31.700 -0.061 0.000 0.786 237 A N -2.996 119.723 122.820 -0.168 0.000 2.348 237 A HA 0.163 4.483 4.320 0.001 0.000 0.224 237 A C 0.129 177.782 177.584 0.116 0.000 1.227 237 A CA 0.244 52.225 52.037 -0.093 0.000 0.885 237 A CB -0.393 18.517 19.000 -0.150 0.000 0.933 237 A HN 0.005 nan 8.150 nan 0.000 0.506 238 Y N -1.295 119.025 120.300 0.033 0.000 2.596 238 Y HA 0.636 5.186 4.550 0.001 0.000 0.326 238 Y C 0.147 176.112 175.900 0.110 0.000 1.167 238 Y CA -2.042 56.107 58.100 0.082 0.000 1.246 238 Y CB 0.376 38.828 38.460 -0.012 0.000 1.347 238 Y HN 0.300 nan 8.280 nan 0.000 0.515 239 H N -0.245 118.934 119.070 0.182 0.000 2.600 239 H HA 0.643 5.199 4.556 0.001 0.000 0.357 239 H C -0.990 174.354 175.328 0.026 0.000 1.106 239 H CA -0.556 55.539 56.048 0.078 0.000 1.193 239 H CB 1.455 31.257 29.762 0.067 0.000 1.594 239 H HN 0.706 nan 8.280 nan 0.000 0.526 240 T N 1.997 116.256 114.554 -0.492 0.000 2.906 240 T HA 0.641 4.992 4.350 0.001 0.000 0.295 240 T C -0.856 173.611 174.700 -0.388 0.000 1.075 240 T CA -1.055 60.833 62.100 -0.352 0.000 1.005 240 T CB 2.205 70.868 68.868 -0.341 0.000 1.136 240 T HN 0.645 nan 8.240 nan 0.000 0.498 241 Q N 0.578 120.351 119.800 -0.045 0.000 2.340 241 Q HA 0.583 4.924 4.340 0.001 0.000 0.276 241 Q C -1.764 174.355 176.000 0.199 0.000 1.048 241 Q CA -0.835 55.000 55.803 0.054 0.000 0.832 241 Q CB 3.094 31.876 28.738 0.073 0.000 1.373 241 Q HN 0.603 nan 8.270 nan 0.000 0.409 242 L N 2.333 123.654 121.223 0.165 0.000 2.376 242 L HA 0.488 4.829 4.340 0.001 0.000 0.275 242 L C -0.148 176.709 176.870 -0.022 0.000 0.987 242 L CA -0.397 54.477 54.840 0.056 0.000 0.828 242 L CB 1.940 44.064 42.059 0.108 0.000 1.249 242 L HN 0.867 nan 8.230 nan 0.000 0.409 243 S N 3.289 118.870 115.700 -0.198 0.000 2.624 243 S HA 0.295 4.766 4.470 0.001 0.000 0.263 243 S C -0.008 174.458 174.600 -0.223 0.000 1.287 243 S CA -0.520 57.439 58.200 -0.402 0.000 0.990 243 S CB 1.144 63.791 63.200 -0.923 0.000 0.950 243 S HN 0.675 nan 8.310 nan 0.000 0.561 244 Q N 1.072 120.753 119.800 -0.198 0.000 2.474 244 Q HA 0.247 4.587 4.340 0.001 0.000 0.256 244 Q C -2.245 173.676 176.000 -0.132 0.000 1.048 244 Q CA -1.309 54.420 55.803 -0.123 0.000 0.922 244 Q CB -0.090 28.599 28.738 -0.082 0.000 1.288 244 Q HN 0.480 nan 8.270 nan 0.000 0.484 245 P HA -0.103 nan 4.420 nan 0.000 0.267 245 P C -0.336 176.919 177.300 -0.075 0.000 1.200 245 P CA 0.741 63.806 63.100 -0.059 0.000 0.772 245 P CB 0.363 32.052 31.700 -0.019 0.000 0.855 246 I N -0.419 120.121 120.570 -0.051 0.000 4.244 246 I HA 0.360 4.531 4.170 0.001 0.000 0.318 246 I C 0.550 176.669 176.117 0.003 0.000 1.282 246 I CA 0.171 61.453 61.300 -0.029 0.000 1.276 246 I CB 0.159 38.146 38.000 -0.023 0.000 1.183 246 I HN 0.285 nan 8.210 nan 0.000 0.431 247 E N 1.039 121.247 120.200 0.012 0.000 2.447 247 E HA 0.352 4.703 4.350 0.001 0.000 0.279 247 E C -1.179 175.449 176.600 0.046 0.000 1.053 247 E CA -0.781 55.627 56.400 0.013 0.000 0.840 247 E CB 1.775 31.478 29.700 0.006 0.000 1.409 247 E HN -0.035 nan 8.360 nan 0.000 0.461 248 T N -0.362 114.178 114.554 -0.023 0.000 2.888 248 T HA 0.552 4.903 4.350 0.001 0.000 0.284 248 T C -1.089 173.530 174.700 -0.135 0.000 1.017 248 T CA -0.512 61.588 62.100 0.000 0.000 1.022 248 T CB 1.347 70.279 68.868 0.106 0.000 1.013 248 T HN 0.307 nan 8.240 nan 0.000 0.465 249 V N 6.718 126.561 119.914 -0.117 0.000 2.487 249 V HA 0.682 4.803 4.120 0.001 0.000 0.298 249 V C 0.078 176.122 176.094 -0.085 0.000 1.028 249 V CA -0.723 61.530 62.300 -0.078 0.000 0.860 249 V CB 1.297 33.106 31.823 -0.023 0.000 0.991 249 V HN 1.015 nan 8.190 nan 0.000 0.427 250 M N 5.202 124.773 119.600 -0.048 0.000 2.755 250 M HA 0.680 5.161 4.480 0.001 0.000 0.273 250 M C -2.021 174.263 176.300 -0.027 0.000 1.278 250 M CA -0.768 54.501 55.300 -0.051 0.000 0.819 250 M CB 2.146 34.698 32.600 -0.080 0.000 1.694 250 M HN 0.311 nan 8.290 nan 0.000 0.460 251 L N 1.497 122.668 121.223 -0.086 0.000 2.360 251 L HA 0.835 5.176 4.340 0.001 0.000 0.271 251 L C 0.098 177.017 176.870 0.081 0.000 1.057 251 L CA -0.853 53.908 54.840 -0.133 0.000 0.803 251 L CB 1.613 43.531 42.059 -0.235 0.000 1.207 251 L HN 0.939 nan 8.230 nan 0.000 0.445 252 A N 2.755 125.614 122.820 0.066 0.000 2.330 252 A HA 0.731 5.052 4.320 0.001 0.000 0.327 252 A C -1.004 176.597 177.584 0.028 0.000 1.155 252 A CA -0.494 51.585 52.037 0.070 0.000 0.803 252 A CB 1.060 20.100 19.000 0.068 0.000 1.208 252 A HN 0.426 nan 8.150 nan 0.000 0.477 253 L N 1.769 122.962 121.223 -0.050 0.000 2.295 253 L HA 0.346 4.687 4.340 0.001 0.000 0.285 253 L C 0.487 177.354 176.870 -0.005 0.000 1.035 253 L CA -0.221 54.607 54.840 -0.020 0.000 0.806 253 L CB 1.194 43.192 42.059 -0.101 0.000 1.214 253 L HN 0.834 nan 8.230 nan 0.000 0.426 254 N N 0.193 118.890 118.700 -0.005 0.000 2.402 254 N HA 0.057 4.798 4.740 0.001 0.000 0.252 254 N C 0.945 176.358 175.510 -0.162 0.000 1.118 254 N CA 0.108 53.057 53.050 -0.168 0.000 0.945 254 N CB 0.675 38.917 38.487 -0.409 0.000 1.147 254 N HN 0.789 nan 8.380 nan 0.000 0.495 255 T N 0.048 114.510 114.554 -0.153 0.000 3.085 255 T HA 0.024 4.375 4.350 0.001 0.000 0.263 255 T C 1.123 175.749 174.700 -0.122 0.000 1.127 255 T CA 0.305 62.326 62.100 -0.132 0.000 1.103 255 T CB 0.146 68.936 68.868 -0.131 0.000 0.921 255 T HN 0.384 nan 8.240 nan 0.000 0.510 256 A N 0.460 123.191 122.820 -0.148 0.000 2.507 256 A HA 0.556 4.876 4.320 0.001 0.000 0.270 256 A C 0.474 177.986 177.584 -0.119 0.000 1.318 256 A CA -0.593 51.370 52.037 -0.122 0.000 0.924 256 A CB -0.161 18.766 19.000 -0.121 0.000 1.061 256 A HN 0.462 nan 8.150 nan 0.000 0.516 257 K N 0.252 120.578 120.400 -0.123 0.000 2.619 257 K HA 0.560 4.881 4.320 0.001 0.000 0.251 257 K C -0.432 176.124 176.600 -0.074 0.000 0.987 257 K CA -0.436 55.783 56.287 -0.113 0.000 0.844 257 K CB 1.381 33.771 32.500 -0.184 0.000 1.237 257 K HN 0.237 nan 8.250 nan 0.000 0.447 258 A N 4.429 127.232 122.820 -0.029 0.000 2.531 258 A HA 0.210 4.531 4.320 0.001 0.000 0.236 258 A C -1.632 175.948 177.584 -0.006 0.000 1.062 258 A CA -0.646 51.401 52.037 0.017 0.000 0.760 258 A CB -0.144 18.895 19.000 0.066 0.000 0.995 258 A HN 0.702 nan 8.150 nan 0.000 0.501 259 P HA 0.028 nan 4.420 nan 0.000 0.261 259 P C 0.852 178.109 177.300 -0.071 0.000 1.268 259 P CA 0.852 63.944 63.100 -0.012 0.000 0.833 259 P CB -0.161 31.404 31.700 -0.225 0.000 1.231 260 T N -2.433 112.067 114.554 -0.089 0.000 3.215 260 T HA -0.050 4.301 4.350 0.001 0.000 0.254 260 T C 1.308 175.960 174.700 -0.081 0.000 1.149 260 T CA 0.193 62.233 62.100 -0.099 0.000 1.042 260 T CB -1.027 67.782 68.868 -0.098 0.000 0.966 260 T HN 0.122 nan 8.240 nan 0.000 0.534 261 N N 1.175 119.844 118.700 -0.052 0.000 2.463 261 N HA -0.041 4.700 4.740 0.001 0.000 0.181 261 N C 0.119 175.617 175.510 -0.020 0.000 1.078 261 N CA 0.103 53.127 53.050 -0.044 0.000 0.902 261 N CB -0.103 38.364 38.487 -0.034 0.000 0.970 261 N HN 0.549 nan 8.380 nan 0.000 0.451 262 E N 0.629 120.831 120.200 0.005 0.000 2.167 262 E HA 0.066 4.417 4.350 0.001 0.000 0.284 262 E C 0.647 177.245 176.600 -0.003 0.000 1.016 262 E CA -0.549 55.871 56.400 0.033 0.000 0.817 262 E CB 1.856 31.628 29.700 0.121 0.000 1.080 262 E HN -0.009 nan 8.360 nan 0.000 0.397 263 L N 4.618 125.838 121.223 -0.005 0.000 1.990 263 L HA -0.269 4.071 4.340 0.001 0.000 0.213 263 L C 2.085 178.945 176.870 -0.017 0.000 1.072 263 L CA 2.628 57.454 54.840 -0.022 0.000 0.755 263 L CB -0.785 41.267 42.059 -0.013 0.000 0.889 263 L HN 0.718 nan 8.230 nan 0.000 0.432 264 A N -1.293 121.538 122.820 0.017 0.000 1.948 264 A HA -0.203 4.118 4.320 0.001 0.000 0.220 264 A C 2.283 179.865 177.584 -0.004 0.000 1.177 264 A CA 2.297 54.354 52.037 0.032 0.000 0.636 264 A CB -1.179 17.868 19.000 0.079 0.000 0.815 264 A HN 0.373 nan 8.150 nan 0.000 0.449 265 V N -0.053 119.836 119.914 -0.043 0.000 2.379 265 V HA -0.226 3.895 4.120 0.001 0.000 0.245 265 V C 2.592 178.614 176.094 -0.120 0.000 1.044 265 V CA 2.057 64.278 62.300 -0.133 0.000 1.036 265 V CB -0.786 30.906 31.823 -0.219 0.000 0.664 265 V HN 0.553 nan 8.190 nan 0.000 0.453 266 R N 0.071 120.509 120.500 -0.103 0.000 2.092 266 R HA -0.133 4.208 4.340 0.001 0.000 0.231 266 R C 2.197 178.415 176.300 -0.138 0.000 1.119 266 R CA 1.445 57.473 56.100 -0.120 0.000 0.970 266 R CB -0.276 29.952 30.300 -0.121 0.000 0.864 266 R HN 0.613 nan 8.270 nan 0.000 0.440 267 E N 0.972 121.100 120.200 -0.119 0.000 2.072 267 E HA -0.106 4.245 4.350 0.001 0.000 0.190 267 E C 2.080 178.622 176.600 -0.098 0.000 0.982 267 E CA 1.012 57.315 56.400 -0.162 0.000 0.803 267 E CB -0.076 29.586 29.700 -0.063 0.000 0.755 267 E HN 0.335 nan 8.360 nan 0.000 0.453 268 A N 1.076 123.897 122.820 0.002 0.000 1.972 268 A HA -0.136 4.185 4.320 0.001 0.000 0.219 268 A C 2.150 179.736 177.584 0.003 0.000 1.169 268 A CA 0.975 53.051 52.037 0.064 0.000 0.635 268 A CB -0.518 18.492 19.000 0.017 0.000 0.810 268 A HN 0.115 nan 8.150 nan 0.000 0.446 269 L N -0.317 120.864 121.223 -0.070 0.000 2.141 269 L HA -0.147 4.194 4.340 0.001 0.000 0.209 269 L C 2.329 179.145 176.870 -0.090 0.000 1.094 269 L CA 1.020 55.813 54.840 -0.079 0.000 0.763 269 L CB -0.555 41.441 42.059 -0.105 0.000 0.908 269 L HN 0.400 nan 8.230 nan 0.000 0.437 270 N N -0.672 117.926 118.700 -0.170 0.000 2.188 270 N HA -0.182 4.559 4.740 0.001 0.000 0.184 270 N C 1.845 177.245 175.510 -0.184 0.000 1.018 270 N CA 1.331 54.242 53.050 -0.232 0.000 0.858 270 N CB -0.042 38.224 38.487 -0.369 0.000 0.989 270 N HN 0.302 nan 8.380 nan 0.000 0.426 271 Y N 0.930 121.209 120.300 -0.035 0.000 2.373 271 Y HA 0.068 4.619 4.550 0.001 0.000 0.293 271 Y C 2.276 178.156 175.900 -0.034 0.000 1.129 271 Y CA 0.282 58.357 58.100 -0.040 0.000 1.226 271 Y CB -0.438 37.979 38.460 -0.071 0.000 1.000 271 Y HN 0.030 nan 8.280 nan 0.000 0.549 272 A N -0.655 122.244 122.820 0.131 0.000 2.132 272 A HA 0.162 4.483 4.320 0.001 0.000 0.213 272 A C 0.788 178.502 177.584 0.216 0.000 1.154 272 A CA 0.180 52.281 52.037 0.106 0.000 0.753 272 A CB -0.489 18.541 19.000 0.050 0.000 0.826 272 A HN 0.009 nan 8.150 nan 0.000 0.469 273 V N 2.139 122.161 119.914 0.180 0.000 2.432 273 V HA 0.100 4.221 4.120 0.001 0.000 0.271 273 V C 0.191 176.393 176.094 0.178 0.000 1.046 273 V CA -0.676 61.709 62.300 0.141 0.000 0.945 273 V CB 0.894 32.732 31.823 0.025 0.000 0.992 273 V HN 0.462 nan 8.190 nan 0.000 0.471 274 N N 4.878 123.547 118.700 -0.052 0.000 2.549 274 N HA 0.091 4.831 4.740 0.001 0.000 0.267 274 N C 1.153 176.547 175.510 -0.194 0.000 1.182 274 N CA 0.180 52.985 53.050 -0.409 0.000 1.019 274 N CB 0.322 38.367 38.487 -0.738 0.000 1.380 274 N HN 0.603 nan 8.380 nan 0.000 0.505 275 K N 2.029 122.373 120.400 -0.095 0.000 2.026 275 K HA -0.200 4.121 4.320 0.001 0.000 0.208 275 K C 1.647 178.189 176.600 -0.097 0.000 1.048 275 K CA 1.538 57.776 56.287 -0.082 0.000 0.929 275 K CB 0.112 32.574 32.500 -0.063 0.000 0.713 275 K HN 0.540 nan 8.250 nan 0.000 0.439 276 K N 0.545 120.886 120.400 -0.098 0.000 2.057 276 K HA -0.104 4.216 4.320 0.001 0.000 0.207 276 K C 2.311 178.844 176.600 -0.111 0.000 1.049 276 K CA 1.758 57.990 56.287 -0.093 0.000 0.931 276 K CB -0.366 32.090 32.500 -0.074 0.000 0.714 276 K HN -0.081 nan 8.250 nan 0.000 0.440 277 S N 1.054 116.665 115.700 -0.149 0.000 2.368 277 S HA -0.067 4.404 4.470 0.001 0.000 0.225 277 S C 1.864 176.397 174.600 -0.111 0.000 1.030 277 S CA 0.642 58.757 58.200 -0.142 0.000 0.999 277 S CB -0.323 62.766 63.200 -0.185 0.000 0.844 277 S HN 0.418 nan 8.310 nan 0.000 0.459 278 L N 0.395 121.554 121.223 -0.107 0.000 1.970 278 L HA -0.137 4.203 4.340 0.001 0.000 0.212 278 L C 2.241 179.071 176.870 -0.066 0.000 1.071 278 L CA 1.796 56.590 54.840 -0.078 0.000 0.751 278 L CB -0.429 41.588 42.059 -0.070 0.000 0.889 278 L HN 0.339 nan 8.230 nan 0.000 0.432 279 I N 0.453 120.980 120.570 -0.071 0.000 2.208 279 I HA -0.337 3.833 4.170 0.001 0.000 0.245 279 I C 2.086 178.167 176.117 -0.060 0.000 1.097 279 I CA 1.550 62.813 61.300 -0.061 0.000 1.363 279 I CB -0.546 37.414 38.000 -0.068 0.000 1.051 279 I HN 0.329 nan 8.210 nan 0.000 0.413 280 D N -0.300 120.051 120.400 -0.082 0.000 2.178 280 D HA -0.148 4.493 4.640 0.001 0.000 0.202 280 D C 1.827 178.058 176.300 -0.116 0.000 0.974 280 D CA 0.875 54.807 54.000 -0.113 0.000 0.841 280 D CB -0.322 40.404 40.800 -0.124 0.000 0.953 280 D HN 0.327 nan 8.370 nan 0.000 0.478 281 N N 0.994 119.648 118.700 -0.077 0.000 2.220 281 N HA -0.037 4.704 4.740 0.001 0.000 0.193 281 N C 1.724 177.234 175.510 0.001 0.000 1.052 281 N CA 1.878 54.899 53.050 -0.048 0.000 0.898 281 N CB -0.645 37.812 38.487 -0.050 0.000 1.080 281 N HN -0.033 nan 8.380 nan 0.000 0.467 282 A N 0.409 123.223 122.820 -0.011 0.000 1.940 282 A HA -0.118 4.203 4.320 0.001 0.000 0.221 282 A C 2.150 179.745 177.584 0.018 0.000 1.190 282 A CA 1.649 53.682 52.037 -0.006 0.000 0.647 282 A CB -0.806 18.176 19.000 -0.031 0.000 0.821 282 A HN 0.450 nan 8.150 nan 0.000 0.457 283 L N -4.344 116.893 121.223 0.023 0.000 2.766 283 L HA 0.259 4.599 4.340 0.001 0.000 0.242 283 L C 0.569 177.517 176.870 0.130 0.000 1.136 283 L CA -0.038 54.823 54.840 0.035 0.000 0.933 283 L CB 0.391 42.442 42.059 -0.013 0.000 1.241 283 L HN 0.500 nan 8.230 nan 0.000 0.522 284 Y N 1.035 121.307 120.300 -0.046 0.000 4.490 284 Y HA -0.328 4.223 4.550 0.001 0.000 0.233 284 Y C 1.310 177.197 175.900 -0.021 0.000 1.101 284 Y CA 0.523 58.604 58.100 -0.032 0.000 2.010 284 Y CB -1.304 37.141 38.460 -0.025 0.000 1.622 284 Y HN 0.350 nan 8.280 nan 0.000 0.675 285 G N -0.581 108.183 108.800 -0.060 0.000 2.205 285 G HA2 -0.477 3.484 3.960 0.001 0.000 0.269 285 G HA3 -0.477 3.484 3.960 0.001 0.000 0.269 285 G C 1.060 175.971 174.900 0.019 0.000 0.977 285 G CA 1.466 46.534 45.100 -0.054 0.000 0.652 285 G HN 1.365 nan 8.290 nan 0.000 0.539 286 T N -2.884 111.722 114.554 0.088 0.000 2.962 286 T HA 0.199 4.549 4.350 0.001 0.000 0.270 286 T C 1.112 175.825 174.700 0.022 0.000 1.088 286 T CA 1.846 63.998 62.100 0.087 0.000 1.127 286 T CB 0.093 69.019 68.868 0.097 0.000 0.883 286 T HN 0.549 nan 8.240 nan 0.000 0.493 287 Q N 0.889 120.689 119.800 0.001 0.000 2.572 287 Q HA 0.494 4.835 4.340 0.001 0.000 0.284 287 Q C -0.637 175.358 176.000 -0.009 0.000 1.091 287 Q CA -0.859 54.936 55.803 -0.014 0.000 0.840 287 Q CB 1.518 30.235 28.738 -0.035 0.000 1.433 287 Q HN 0.691 nan 8.270 nan 0.000 0.471 288 Q N -0.942 118.861 119.800 0.004 0.000 2.359 288 Q HA 0.695 5.036 4.340 0.001 0.000 0.275 288 Q C -0.592 175.367 176.000 -0.069 0.000 1.082 288 Q CA -0.971 54.836 55.803 0.007 0.000 0.849 288 Q CB 1.388 30.171 28.738 0.076 0.000 1.377 288 Q HN 0.221 nan 8.270 nan 0.000 0.452 289 V N 1.030 120.898 119.914 -0.076 0.000 2.614 289 V HA 0.453 4.574 4.120 0.001 0.000 0.291 289 V C -0.198 175.716 176.094 -0.299 0.000 1.049 289 V CA -0.135 62.074 62.300 -0.152 0.000 1.038 289 V CB 0.949 32.725 31.823 -0.078 0.000 0.980 289 V HN 0.847 nan 8.190 nan 0.000 0.481 290 A N 3.304 125.830 122.820 -0.489 0.000 2.303 290 A HA 0.573 4.893 4.320 0.001 0.000 0.320 290 A C 0.317 177.729 177.584 -0.286 0.000 1.192 290 A CA -0.566 50.984 52.037 -0.811 0.000 0.821 290 A CB 0.575 18.824 19.000 -1.252 0.000 1.188 290 A HN 0.839 nan 8.150 nan 0.000 0.492 291 D N 0.991 121.349 120.400 -0.071 0.000 2.392 291 D HA 0.065 4.705 4.640 0.001 0.000 0.206 291 D C 0.484 176.851 176.300 0.112 0.000 1.046 291 D CA 1.476 55.498 54.000 0.037 0.000 0.865 291 D CB 0.676 41.525 40.800 0.082 0.000 0.969 291 D HN 0.683 nan 8.370 nan 0.000 0.509 292 T N -1.697 112.937 114.554 0.133 0.000 2.900 292 T HA 0.284 4.635 4.350 0.001 0.000 0.295 292 T C 0.954 175.682 174.700 0.046 0.000 1.044 292 T CA -0.793 61.394 62.100 0.144 0.000 0.995 292 T CB 2.514 71.440 68.868 0.097 0.000 1.072 292 T HN -0.203 nan 8.240 nan 0.000 0.473 293 L N 1.087 122.255 121.223 -0.091 0.000 2.040 293 L HA 0.021 4.362 4.340 0.001 0.000 0.228 293 L C 0.136 176.685 176.870 -0.535 0.000 1.092 293 L CA 1.962 56.520 54.840 -0.470 0.000 0.805 293 L CB -0.891 40.791 42.059 -0.627 0.000 0.905 293 L HN 0.765 nan 8.230 nan 0.000 0.443 294 F N -0.688 119.240 119.950 -0.038 0.000 2.443 294 F HA 0.589 5.116 4.527 0.001 0.000 0.335 294 F C 0.850 176.582 175.800 -0.113 0.000 1.104 294 F CA -0.809 57.137 58.000 -0.089 0.000 1.013 294 F CB 0.755 39.692 39.000 -0.104 0.000 1.136 294 F HN 0.113 nan 8.300 nan 0.000 0.470 295 A N 4.068 126.759 122.820 -0.215 0.000 2.507 295 A HA 0.182 4.503 4.320 0.001 0.000 0.235 295 A C -1.713 175.768 177.584 -0.172 0.000 1.070 295 A CA -0.958 50.768 52.037 -0.518 0.000 0.768 295 A CB -0.265 18.150 19.000 -0.975 0.000 1.011 295 A HN 0.636 nan 8.150 nan 0.000 0.502 296 P HA -0.116 nan 4.420 nan 0.000 0.226 296 P C 1.112 178.350 177.300 -0.103 0.000 1.146 296 P CA 1.737 64.792 63.100 -0.076 0.000 0.773 296 P CB 0.041 31.711 31.700 -0.050 0.000 0.772 297 S N -2.603 113.011 115.700 -0.143 0.000 2.593 297 S HA 0.079 4.550 4.470 0.001 0.000 0.217 297 S C 0.749 175.267 174.600 -0.137 0.000 0.966 297 S CA -0.205 57.918 58.200 -0.130 0.000 0.914 297 S CB -0.744 62.378 63.200 -0.129 0.000 0.776 297 S HN -0.123 nan 8.310 nan 0.000 0.523 298 V N 4.031 123.856 119.914 -0.147 0.000 2.530 298 V HA 0.293 4.414 4.120 0.001 0.000 0.282 298 V C -2.208 173.762 176.094 -0.206 0.000 1.048 298 V CA -1.993 60.205 62.300 -0.170 0.000 0.997 298 V CB 0.750 32.455 31.823 -0.196 0.000 0.987 298 V HN 0.176 nan 8.190 nan 0.000 0.477 299 P HA 0.023 nan 4.420 nan 0.000 0.266 299 P C -0.323 176.768 177.300 -0.348 0.000 1.193 299 P CA 0.571 63.452 63.100 -0.365 0.000 0.770 299 P CB -0.001 31.490 31.700 -0.348 0.000 0.836 300 Y N -0.076 120.075 120.300 -0.248 0.000 4.916 300 Y HA -0.309 4.242 4.550 0.001 0.000 0.247 300 Y C 1.442 177.227 175.900 -0.193 0.000 0.962 300 Y CA 1.190 59.128 58.100 -0.269 0.000 1.933 300 Y CB -2.591 35.480 38.460 -0.648 0.000 1.451 300 Y HN 0.463 nan 8.280 nan 0.000 0.539 301 A N -0.665 122.109 122.820 -0.077 0.000 2.431 301 A HA 0.284 4.605 4.320 0.001 0.000 0.239 301 A C 0.773 178.353 177.584 -0.007 0.000 1.230 301 A CA 0.187 52.215 52.037 -0.015 0.000 0.928 301 A CB -0.013 18.980 19.000 -0.012 0.000 1.006 301 A HN 0.268 nan 8.150 nan 0.000 0.520 302 N N 1.196 119.875 118.700 -0.035 0.000 2.498 302 N HA 0.216 4.957 4.740 0.001 0.000 0.277 302 N C 0.312 175.820 175.510 -0.003 0.000 1.208 302 N CA 0.250 53.284 53.050 -0.026 0.000 1.029 302 N CB -0.226 38.235 38.487 -0.042 0.000 1.403 302 N HN 0.395 nan 8.380 nan 0.000 0.500 303 L N 1.015 122.238 121.223 0.001 0.000 2.766 303 L HA 0.328 4.669 4.340 0.001 0.000 0.242 303 L C 1.378 178.243 176.870 -0.007 0.000 1.136 303 L CA -0.100 54.745 54.840 0.009 0.000 0.933 303 L CB 0.052 42.124 42.059 0.022 0.000 1.241 303 L HN 0.600 nan 8.230 nan 0.000 0.522 304 G N 1.643 110.433 108.800 -0.016 0.000 2.258 304 G HA2 -0.299 3.662 3.960 0.001 0.000 0.274 304 G HA3 -0.299 3.662 3.960 0.001 0.000 0.274 304 G C 0.327 175.202 174.900 -0.042 0.000 1.021 304 G CA 0.039 45.128 45.100 -0.018 0.000 0.798 304 G HN 0.270 nan 8.290 nan 0.000 0.507 305 L N -0.417 120.745 121.223 -0.103 0.000 2.525 305 L HA 0.118 4.458 4.340 0.001 0.000 0.278 305 L C 1.403 178.187 176.870 -0.144 0.000 1.218 305 L CA 0.135 54.841 54.840 -0.223 0.000 0.878 305 L CB 0.448 42.155 42.059 -0.586 0.000 1.127 305 L HN 0.151 nan 8.230 nan 0.000 0.492 306 K N 4.438 124.825 120.400 -0.022 0.000 2.419 306 K HA 0.143 4.464 4.320 0.001 0.000 0.282 306 K C -2.178 174.525 176.600 0.172 0.000 1.056 306 K CA -1.425 54.921 56.287 0.098 0.000 1.035 306 K CB 0.491 33.078 32.500 0.145 0.000 0.921 306 K HN 0.237 nan 8.250 nan 0.000 0.472 307 P HA 0.017 nan 4.420 nan 0.000 0.269 307 P C -1.112 176.271 177.300 0.139 0.000 1.209 307 P CA -0.088 63.094 63.100 0.136 0.000 0.776 307 P CB 0.797 32.554 31.700 0.096 0.000 0.876 308 S N 2.084 117.835 115.700 0.085 0.000 2.409 308 S HA 0.141 4.611 4.470 0.001 0.000 0.308 308 S C 0.080 174.773 174.600 0.156 0.000 1.080 308 S CA -0.468 57.761 58.200 0.048 0.000 1.081 308 S CB -0.182 62.825 63.200 -0.322 0.000 1.009 308 S HN 0.413 nan 8.310 nan 0.000 0.502 309 Q N 2.143 122.094 119.800 0.252 0.000 2.361 309 Q HA 0.050 4.391 4.340 0.001 0.000 0.276 309 Q C -0.555 175.609 176.000 0.272 0.000 1.022 309 Q CA -0.283 55.646 55.803 0.211 0.000 0.898 309 Q CB 0.337 29.165 28.738 0.150 0.000 1.246 309 Q HN 0.687 nan 8.270 nan 0.000 0.410 310 Y N 4.017 124.378 120.300 0.101 0.000 2.770 310 Y HA -0.063 4.488 4.550 0.001 0.000 0.342 310 Y C -0.864 175.074 175.900 0.064 0.000 1.221 310 Y CA 0.694 58.844 58.100 0.084 0.000 1.560 310 Y CB 0.327 38.807 38.460 0.034 0.000 1.213 310 Y HN 0.501 nan 8.280 nan 0.000 0.525 311 D N 8.586 128.752 120.400 -0.388 0.000 2.668 311 D HA 0.219 4.860 4.640 0.001 0.000 0.247 311 D C -2.320 173.739 176.300 -0.401 0.000 1.268 311 D CA -1.540 52.197 54.000 -0.438 0.000 0.842 311 D CB 1.348 41.940 40.800 -0.347 0.000 1.399 311 D HN 0.282 nan 8.370 nan 0.000 0.530 312 P HA -0.164 nan 4.420 nan 0.000 0.218 312 P C 1.399 178.591 177.300 -0.180 0.000 1.148 312 P CA 1.331 64.271 63.100 -0.266 0.000 0.822 312 P CB 0.329 31.886 31.700 -0.238 0.000 0.784 313 Q N -0.195 119.490 119.800 -0.192 0.000 2.079 313 Q HA -0.102 4.239 4.340 0.001 0.000 0.200 313 Q C 1.874 177.777 176.000 -0.160 0.000 0.974 313 Q CA 1.001 56.718 55.803 -0.142 0.000 0.840 313 Q CB -0.763 27.905 28.738 -0.117 0.000 0.898 313 Q HN 0.196 nan 8.270 nan 0.000 0.430 314 K N 1.199 121.449 120.400 -0.251 0.000 2.009 314 K HA -0.148 4.173 4.320 0.001 0.000 0.210 314 K C 2.358 178.840 176.600 -0.197 0.000 1.049 314 K CA 1.384 57.481 56.287 -0.317 0.000 0.929 314 K CB -0.421 31.677 32.500 -0.670 0.000 0.714 314 K HN 0.305 nan 8.250 nan 0.000 0.440 315 A N 2.684 125.417 122.820 -0.144 0.000 1.892 315 A HA -0.249 4.071 4.320 0.001 0.000 0.218 315 A C 2.071 179.652 177.584 -0.006 0.000 1.188 315 A CA 2.305 54.352 52.037 0.016 0.000 0.631 315 A CB -0.522 18.507 19.000 0.048 0.000 0.822 315 A HN 0.482 nan 8.150 nan 0.000 0.447 316 K N -0.718 119.661 120.400 -0.036 0.000 2.366 316 K HA 0.316 4.636 4.320 0.001 0.000 0.198 316 K C 1.881 178.479 176.600 -0.004 0.000 1.044 316 K CA 1.036 57.314 56.287 -0.014 0.000 0.973 316 K CB -0.276 32.214 32.500 -0.015 0.000 0.767 316 K HN 0.251 nan 8.250 nan 0.000 0.475 317 A N 2.040 124.845 122.820 -0.026 0.000 1.873 317 A HA -0.035 4.285 4.320 0.001 0.000 0.215 317 A C 2.154 179.745 177.584 0.012 0.000 1.186 317 A CA 1.003 53.031 52.037 -0.015 0.000 0.616 317 A CB -0.666 18.310 19.000 -0.040 0.000 0.823 317 A HN 0.281 nan 8.150 nan 0.000 0.442 318 L N -0.912 120.320 121.223 0.016 0.000 1.990 318 L HA -0.225 4.115 4.340 0.001 0.000 0.213 318 L C 2.493 179.408 176.870 0.075 0.000 1.072 318 L CA 1.061 55.931 54.840 0.049 0.000 0.755 318 L CB -0.482 41.624 42.059 0.077 0.000 0.889 318 L HN 0.300 nan 8.230 nan 0.000 0.432 319 L N -0.212 121.054 121.223 0.072 0.000 2.013 319 L HA -0.273 4.068 4.340 0.001 0.000 0.212 319 L C 2.568 179.546 176.870 0.180 0.000 1.073 319 L CA 1.845 56.758 54.840 0.122 0.000 0.753 319 L CB -0.960 41.138 42.059 0.064 0.000 0.890 319 L HN 0.307 nan 8.230 nan 0.000 0.432 320 E N -0.328 119.935 120.200 0.105 0.000 2.031 320 E HA -0.221 4.129 4.350 0.001 0.000 0.193 320 E C 2.268 178.909 176.600 0.068 0.000 0.994 320 E CA 1.364 57.813 56.400 0.083 0.000 0.800 320 E CB -0.163 29.563 29.700 0.043 0.000 0.752 320 E HN 0.212 nan 8.360 nan 0.000 0.447 321 K N -0.621 119.814 120.400 0.057 0.000 2.280 321 K HA -0.060 4.261 4.320 0.001 0.000 0.202 321 K C 1.344 177.975 176.600 0.051 0.000 1.047 321 K CA 1.033 57.344 56.287 0.041 0.000 0.942 321 K CB -0.078 32.442 32.500 0.033 0.000 0.739 321 K HN 0.197 nan 8.250 nan 0.000 0.457 322 A N -0.350 122.529 122.820 0.099 0.000 2.307 322 A HA 0.239 4.560 4.320 0.001 0.000 0.218 322 A C 1.064 178.678 177.584 0.052 0.000 1.228 322 A CA 0.724 52.836 52.037 0.124 0.000 0.857 322 A CB 0.071 19.215 19.000 0.241 0.000 0.897 322 A HN 0.404 nan 8.150 nan 0.000 0.495 323 G N -2.402 106.398 108.800 0.000 0.000 2.141 323 G HA2 -0.253 3.708 3.960 0.001 0.000 0.242 323 G HA3 -0.253 3.708 3.960 0.001 0.000 0.242 323 G C -0.288 174.459 174.900 -0.254 0.000 0.982 323 G CA -0.006 45.005 45.100 -0.147 0.000 0.662 323 G HN 0.436 nan 8.290 nan 0.000 0.527 324 W N 0.925 122.220 121.300 -0.008 0.000 2.311 324 W HA 0.665 5.326 4.660 0.001 0.000 0.317 324 W C 0.503 177.017 176.519 -0.007 0.000 1.065 324 W CA -0.348 56.992 57.345 -0.008 0.000 1.364 324 W CB 1.458 30.914 29.460 -0.007 0.000 1.233 324 W HN 0.080 nan 8.180 nan 0.000 0.409 325 T N 3.885 118.526 114.554 0.145 0.000 2.908 325 T HA 0.513 4.864 4.350 0.001 0.000 0.290 325 T C -0.520 174.228 174.700 0.081 0.000 1.034 325 T CA -0.731 61.419 62.100 0.083 0.000 1.010 325 T CB 0.836 69.717 68.868 0.021 0.000 1.068 325 T HN 0.123 nan 8.240 nan 0.000 0.481 326 L N 5.706 126.964 121.223 0.058 0.000 2.283 326 L HA 0.352 4.693 4.340 0.001 0.000 0.287 326 L C -1.635 175.253 176.870 0.031 0.000 1.073 326 L CA -1.621 53.248 54.840 0.048 0.000 0.822 326 L CB 0.829 42.910 42.059 0.037 0.000 1.186 326 L HN 0.467 nan 8.230 nan 0.000 0.436 327 P HA 0.185 nan 4.420 nan 0.000 0.279 327 P C -0.485 176.825 177.300 0.016 0.000 1.239 327 P CA -0.555 62.556 63.100 0.019 0.000 0.789 327 P CB 1.223 32.934 31.700 0.020 0.000 0.933 328 A N 2.371 125.198 122.820 0.011 0.000 2.592 328 A HA 0.292 4.613 4.320 0.001 0.000 0.250 328 A C 1.546 179.137 177.584 0.011 0.000 1.017 328 A CA 1.042 53.085 52.037 0.009 0.000 0.794 328 A CB -1.613 17.390 19.000 0.005 0.000 0.917 328 A HN 1.049 nan 8.150 nan 0.000 0.515 329 G N 1.824 110.630 108.800 0.011 0.000 2.175 329 G HA2 -0.193 3.768 3.960 0.001 0.000 0.244 329 G HA3 -0.193 3.768 3.960 0.001 0.000 0.244 329 G C 0.224 175.133 174.900 0.015 0.000 0.982 329 G CA 0.651 45.758 45.100 0.012 0.000 0.641 329 G HN 0.822 nan 8.290 nan 0.000 0.527 330 K N -0.108 120.303 120.400 0.019 0.000 2.295 330 K HA 0.548 4.869 4.320 0.001 0.000 0.239 330 K C 0.182 176.796 176.600 0.024 0.000 0.991 330 K CA -0.796 55.505 56.287 0.023 0.000 0.845 330 K CB 1.554 34.072 32.500 0.029 0.000 1.197 330 K HN -0.053 nan 8.250 nan 0.000 0.441 331 D N 0.216 120.631 120.400 0.024 0.000 2.346 331 D HA 0.205 4.845 4.640 0.001 0.000 0.206 331 D C -0.098 176.218 176.300 0.027 0.000 1.001 331 D CA 0.466 54.479 54.000 0.022 0.000 0.871 331 D CB 0.399 41.210 40.800 0.018 0.000 0.943 331 D HN 0.335 nan 8.370 nan 0.000 0.518 332 I N 0.793 121.385 120.570 0.036 0.000 2.509 332 I HA 0.323 4.493 4.170 0.001 0.000 0.293 332 I C 0.224 176.388 176.117 0.079 0.000 1.020 332 I CA -0.911 60.416 61.300 0.045 0.000 1.088 332 I CB 2.153 40.176 38.000 0.040 0.000 1.267 332 I HN -0.353 nan 8.210 nan 0.000 0.430 333 R N 3.677 124.242 120.500 0.109 0.000 2.679 333 R HA 0.416 4.757 4.340 0.001 0.000 0.269 333 R C -0.625 175.847 176.300 0.287 0.000 1.076 333 R CA -0.222 55.993 56.100 0.191 0.000 1.160 333 R CB 0.638 31.086 30.300 0.246 0.000 1.054 333 R HN 0.541 nan 8.270 nan 0.000 0.507 334 E N 0.520 120.871 120.200 0.252 0.000 2.314 334 E HA 0.266 4.617 4.350 0.001 0.000 0.272 334 E C -1.343 175.215 176.600 -0.070 0.000 0.884 334 E CA -0.770 55.729 56.400 0.164 0.000 0.753 334 E CB 2.367 32.106 29.700 0.064 0.000 1.213 334 E HN 0.215 nan 8.360 nan 0.000 0.432 335 K N 2.517 122.695 120.400 -0.369 0.000 2.545 335 K HA 0.251 4.572 4.320 0.001 0.000 0.252 335 K C -0.830 175.531 176.600 -0.399 0.000 0.948 335 K CA -0.445 55.443 56.287 -0.667 0.000 0.827 335 K CB 0.617 32.172 32.500 -1.575 0.000 1.128 335 K HN 0.513 nan 8.250 nan 0.000 0.429 336 N N 2.861 121.407 118.700 -0.255 0.000 2.735 336 N HA -0.222 4.519 4.740 0.001 0.000 0.248 336 N C 0.514 175.962 175.510 -0.104 0.000 1.083 336 N CA 1.527 54.483 53.050 -0.157 0.000 0.703 336 N CB -1.179 37.216 38.487 -0.153 0.000 1.005 336 N HN 1.109 nan 8.380 nan 0.000 0.550 337 G N -1.101 107.649 108.800 -0.084 0.000 2.205 337 G HA2 -0.358 3.603 3.960 0.001 0.000 0.261 337 G HA3 -0.358 3.603 3.960 0.001 0.000 0.261 337 G C -0.048 174.852 174.900 -0.001 0.000 0.980 337 G CA 0.672 45.752 45.100 -0.033 0.000 0.632 337 G HN 0.537 nan 8.290 nan 0.000 0.533 338 Q N 1.422 121.222 119.800 -0.001 0.000 2.256 338 Q HA 0.484 4.825 4.340 0.001 0.000 0.254 338 Q C -2.309 173.805 176.000 0.190 0.000 0.916 338 Q CA -1.856 53.994 55.803 0.079 0.000 0.932 338 Q CB 1.605 30.398 28.738 0.092 0.000 1.207 338 Q HN 0.229 nan 8.270 nan 0.000 0.426 339 P HA -0.054 nan 4.420 nan 0.000 0.271 339 P C -0.815 176.645 177.300 0.266 0.000 1.218 339 P CA -0.478 62.743 63.100 0.201 0.000 0.780 339 P CB 0.512 32.275 31.700 0.104 0.000 0.901 340 L N 3.876 125.219 121.223 0.200 0.000 2.415 340 L HA 0.134 4.475 4.340 0.001 0.000 0.269 340 L C 0.202 176.992 176.870 -0.132 0.000 1.244 340 L CA 0.526 55.264 54.840 -0.170 0.000 1.113 340 L CB -1.232 40.599 42.059 -0.379 0.000 1.352 340 L HN 0.223 nan 8.230 nan 0.000 0.433 341 R N 4.505 124.962 120.500 -0.072 0.000 2.532 341 R HA 0.784 5.124 4.340 0.001 0.000 0.295 341 R C -1.040 175.222 176.300 -0.064 0.000 0.968 341 R CA -0.648 55.427 56.100 -0.041 0.000 0.916 341 R CB 1.866 32.170 30.300 0.007 0.000 1.124 341 R HN 0.471 nan 8.270 nan 0.000 0.463 342 I N 1.623 122.164 120.570 -0.049 0.000 2.644 342 I HA 0.146 4.317 4.170 0.001 0.000 0.291 342 I C -0.522 175.594 176.117 -0.002 0.000 1.180 342 I CA -0.787 60.487 61.300 -0.044 0.000 1.040 342 I CB 2.489 40.443 38.000 -0.077 0.000 1.255 342 I HN 0.618 nan 8.210 nan 0.000 0.422 343 E N 6.127 126.340 120.200 0.021 0.000 2.167 343 E HA 0.493 4.844 4.350 0.001 0.000 0.284 343 E C -1.144 175.513 176.600 0.095 0.000 1.016 343 E CA -0.784 55.652 56.400 0.060 0.000 0.817 343 E CB 2.215 31.951 29.700 0.061 0.000 1.080 343 E HN 0.300 nan 8.360 nan 0.000 0.397 344 L N 3.000 124.297 121.223 0.123 0.000 2.287 344 L HA 0.399 4.740 4.340 0.001 0.000 0.287 344 L C -0.764 176.288 176.870 0.303 0.000 1.022 344 L CA -0.257 54.682 54.840 0.164 0.000 0.814 344 L CB 1.581 43.707 42.059 0.111 0.000 1.217 344 L HN 0.712 nan 8.230 nan 0.000 0.420 345 S N 4.404 120.283 115.700 0.298 0.000 2.566 345 S HA 0.962 5.433 4.470 0.001 0.000 0.298 345 S C -0.740 174.104 174.600 0.408 0.000 1.083 345 S CA -0.511 57.845 58.200 0.260 0.000 0.978 345 S CB 1.664 64.948 63.200 0.141 0.000 1.073 345 S HN 0.921 nan 8.310 nan 0.000 0.491 346 F N -1.584 118.431 119.950 0.108 0.000 2.740 346 F HA 0.443 4.971 4.527 0.001 0.000 0.312 346 F C -1.544 174.269 175.800 0.022 0.000 1.121 346 F CA -1.490 56.575 58.000 0.108 0.000 0.977 346 F CB 0.129 39.245 39.000 0.193 0.000 1.265 346 F HN 0.538 nan 8.300 nan 0.000 0.443 347 I N 3.345 123.950 120.570 0.059 0.000 2.996 347 I HA 0.036 4.207 4.170 0.001 0.000 0.285 347 I C 1.723 177.792 176.117 -0.079 0.000 1.173 347 I CA 1.022 62.299 61.300 -0.038 0.000 1.396 347 I CB 0.042 38.046 38.000 0.006 0.000 1.470 347 I HN 1.019 nan 8.210 nan 0.000 0.586 348 G N 4.347 112.979 108.800 -0.280 0.000 2.532 348 G HA2 -0.289 3.672 3.960 0.001 0.000 0.222 348 G HA3 -0.289 3.672 3.960 0.001 0.000 0.222 348 G C 1.331 176.210 174.900 -0.035 0.000 1.102 348 G CA 1.410 46.348 45.100 -0.270 0.000 0.742 348 G HN 0.674 nan 8.290 nan 0.000 0.577 349 T N -2.595 111.947 114.554 -0.020 0.000 3.054 349 T HA 0.187 4.538 4.350 0.001 0.000 0.255 349 T C 0.392 175.090 174.700 -0.004 0.000 1.035 349 T CA 0.113 62.209 62.100 -0.005 0.000 0.941 349 T CB 0.498 69.351 68.868 -0.024 0.000 1.026 349 T HN 0.148 nan 8.240 nan 0.000 0.533 350 D N 1.401 121.805 120.400 0.006 0.000 2.343 350 D HA 0.530 5.171 4.640 0.001 0.000 0.255 350 D C 1.301 177.578 176.300 -0.039 0.000 1.187 350 D CA -0.048 53.930 54.000 -0.036 0.000 0.875 350 D CB 1.222 41.982 40.800 -0.068 0.000 1.136 350 D HN 0.132 nan 8.370 nan 0.000 0.469 351 A N 4.213 126.995 122.820 -0.064 0.000 2.015 351 A HA -0.064 4.256 4.320 0.001 0.000 0.219 351 A C 2.133 179.654 177.584 -0.105 0.000 1.163 351 A CA 0.723 52.722 52.037 -0.064 0.000 0.646 351 A CB -0.413 18.549 19.000 -0.063 0.000 0.806 351 A HN 0.725 nan 8.150 nan 0.000 0.448 352 L N -0.857 120.278 121.223 -0.146 0.000 2.095 352 L HA -0.093 4.248 4.340 0.001 0.000 0.204 352 L C 2.805 179.495 176.870 -0.301 0.000 1.080 352 L CA 1.267 55.996 54.840 -0.185 0.000 0.759 352 L CB -0.324 41.625 42.059 -0.183 0.000 0.914 352 L HN 0.338 nan 8.230 nan 0.000 0.439 353 S N -0.196 115.252 115.700 -0.420 0.000 2.356 353 S HA -0.237 4.234 4.470 0.001 0.000 0.223 353 S C 1.901 176.098 174.600 -0.671 0.000 1.032 353 S CA 1.410 59.117 58.200 -0.821 0.000 1.005 353 S CB -0.146 62.619 63.200 -0.726 0.000 0.867 353 S HN 0.273 nan 8.310 nan 0.000 0.449 354 K N 1.196 121.363 120.400 -0.389 0.000 2.009 354 K HA -0.101 4.220 4.320 0.001 0.000 0.210 354 K C 2.312 178.769 176.600 -0.238 0.000 1.049 354 K CA 1.658 57.753 56.287 -0.320 0.000 0.929 354 K CB -0.246 32.277 32.500 0.038 0.000 0.714 354 K HN 0.217 nan 8.250 nan 0.000 0.440 355 S N 0.810 116.418 115.700 -0.154 0.000 2.370 355 S HA -0.172 4.299 4.470 0.001 0.000 0.226 355 S C 1.914 176.459 174.600 -0.090 0.000 1.033 355 S CA 1.668 59.810 58.200 -0.098 0.000 1.011 355 S CB -0.204 62.952 63.200 -0.074 0.000 0.852 355 S HN 0.304 nan 8.310 nan 0.000 0.457 356 M N 1.162 120.704 119.600 -0.096 0.000 2.086 356 M HA -0.126 4.354 4.480 0.001 0.000 0.261 356 M C 2.592 178.902 176.300 0.017 0.000 1.067 356 M CA 1.516 56.820 55.300 0.006 0.000 1.116 356 M CB -0.689 31.992 32.600 0.135 0.000 1.348 356 M HN 0.417 nan 8.290 nan 0.000 0.407 357 A N 0.341 123.126 122.820 -0.060 0.000 1.917 357 A HA -0.219 4.102 4.320 0.001 0.000 0.219 357 A C 1.894 179.424 177.584 -0.089 0.000 1.182 357 A CA 2.080 54.035 52.037 -0.136 0.000 0.633 357 A CB -0.755 17.930 19.000 -0.525 0.000 0.819 357 A HN 0.545 nan 8.150 nan 0.000 0.448 358 E N -0.606 119.544 120.200 -0.083 0.000 2.106 358 E HA -0.097 4.253 4.350 0.001 0.000 0.192 358 E C 1.824 178.407 176.600 -0.028 0.000 0.984 358 E CA 1.067 57.446 56.400 -0.036 0.000 0.806 358 E CB -0.235 29.449 29.700 -0.027 0.000 0.750 358 E HN 0.706 nan 8.360 nan 0.000 0.458 359 I N 0.628 121.177 120.570 -0.034 0.000 2.179 359 I HA -0.272 3.898 4.170 0.001 0.000 0.242 359 I C 2.149 178.249 176.117 -0.028 0.000 1.088 359 I CA 1.069 62.350 61.300 -0.031 0.000 1.357 359 I CB -0.119 37.859 38.000 -0.037 0.000 1.051 359 I HN 0.102 nan 8.210 nan 0.000 0.409 360 I N 0.132 120.682 120.570 -0.034 0.000 2.179 360 I HA -0.334 3.837 4.170 0.001 0.000 0.242 360 I C 2.692 178.792 176.117 -0.030 0.000 1.088 360 I CA 1.447 62.722 61.300 -0.041 0.000 1.357 360 I CB -0.438 37.517 38.000 -0.074 0.000 1.051 360 I HN 0.343 nan 8.210 nan 0.000 0.409 361 Q N 1.286 121.071 119.800 -0.025 0.000 2.061 361 Q HA -0.274 4.067 4.340 0.001 0.000 0.204 361 Q C 2.298 178.295 176.000 -0.005 0.000 0.984 361 Q CA 2.300 58.097 55.803 -0.011 0.000 0.846 361 Q CB -0.177 28.562 28.738 0.002 0.000 0.902 361 Q HN 0.538 nan 8.270 nan 0.000 0.421 362 A N 0.923 123.741 122.820 -0.004 0.000 1.898 362 A HA -0.204 4.117 4.320 0.001 0.000 0.216 362 A C 1.702 179.293 177.584 0.011 0.000 1.181 362 A CA 1.696 53.735 52.037 0.003 0.000 0.620 362 A CB -0.562 18.438 19.000 -0.000 0.000 0.819 362 A HN 0.525 nan 8.150 nan 0.000 0.442 363 D N -0.031 120.377 120.400 0.013 0.000 2.097 363 D HA -0.145 4.495 4.640 0.001 0.000 0.195 363 D C 2.109 178.431 176.300 0.037 0.000 0.989 363 D CA 1.469 55.494 54.000 0.042 0.000 0.827 363 D CB -0.360 40.471 40.800 0.052 0.000 0.966 363 D HN 0.371 nan 8.370 nan 0.000 0.456 364 M N 0.477 120.082 119.600 0.008 0.000 2.117 364 M HA -0.094 4.387 4.480 0.001 0.000 0.262 364 M C 2.212 178.507 176.300 -0.009 0.000 1.065 364 M CA 0.883 56.177 55.300 -0.010 0.000 1.114 364 M CB -1.130 31.449 32.600 -0.035 0.000 1.361 364 M HN -0.051 nan 8.290 nan 0.000 0.408 365 R N 1.289 121.787 120.500 -0.003 0.000 2.154 365 R HA -0.156 4.184 4.340 0.001 0.000 0.248 365 R C 2.012 178.316 176.300 0.006 0.000 1.155 365 R CA 1.611 57.712 56.100 0.001 0.000 0.979 365 R CB -0.576 29.727 30.300 0.006 0.000 0.869 365 R HN 0.415 nan 8.270 nan 0.000 0.452 366 Q N 0.076 119.885 119.800 0.014 0.000 2.364 366 Q HA -0.040 4.301 4.340 0.001 0.000 0.207 366 Q C 1.679 177.684 176.000 0.008 0.000 0.970 366 Q CA 1.449 57.263 55.803 0.018 0.000 0.888 366 Q CB 0.071 28.831 28.738 0.037 0.000 0.951 366 Q HN 0.720 nan 8.270 nan 0.000 0.469 367 I N -4.669 115.901 120.570 0.000 0.000 3.941 367 I HA 0.416 4.587 4.170 0.001 0.000 0.335 367 I C 0.710 176.821 176.117 -0.011 0.000 1.402 367 I CA 0.396 61.691 61.300 -0.009 0.000 1.112 367 I CB 0.246 38.236 38.000 -0.017 0.000 1.043 367 I HN 0.067 nan 8.210 nan 0.000 0.395 368 G N 1.578 110.375 108.800 -0.006 0.000 2.142 368 G HA2 -0.100 3.861 3.960 0.001 0.000 0.225 368 G HA3 -0.100 3.861 3.960 0.001 0.000 0.225 368 G C 0.094 174.980 174.900 -0.022 0.000 1.015 368 G CA -0.049 45.053 45.100 0.003 0.000 0.716 368 G HN 0.973 nan 8.290 nan 0.000 0.508 369 A N -0.151 122.641 122.820 -0.047 0.000 2.331 369 A HA 0.678 4.999 4.320 0.001 0.000 0.320 369 A C -0.518 177.034 177.584 -0.053 0.000 1.138 369 A CA -0.154 51.832 52.037 -0.086 0.000 0.790 369 A CB 1.407 20.337 19.000 -0.118 0.000 1.206 369 A HN 0.345 nan 8.150 nan 0.000 0.470 370 D N 2.445 122.814 120.400 -0.051 0.000 2.427 370 D HA 0.360 5.000 4.640 0.001 0.000 0.226 370 D C -0.598 175.688 176.300 -0.023 0.000 1.076 370 D CA -0.032 53.955 54.000 -0.022 0.000 0.849 370 D CB 1.360 42.158 40.800 -0.004 0.000 1.052 370 D HN 0.476 nan 8.370 nan 0.000 0.515 371 V N 2.793 122.699 119.914 -0.014 0.000 2.427 371 V HA 0.717 4.838 4.120 0.001 0.000 0.286 371 V C -0.362 175.748 176.094 0.026 0.000 1.034 371 V CA -0.514 61.785 62.300 -0.002 0.000 0.893 371 V CB 1.320 33.136 31.823 -0.011 0.000 0.982 371 V HN 0.530 nan 8.190 nan 0.000 0.452 372 S N 6.980 122.704 115.700 0.041 0.000 2.451 372 S HA 0.736 5.207 4.470 0.001 0.000 0.301 372 S C -0.753 173.912 174.600 0.108 0.000 1.116 372 S CA -0.854 57.383 58.200 0.062 0.000 1.093 372 S CB 1.397 64.625 63.200 0.048 0.000 1.017 372 S HN 0.727 nan 8.310 nan 0.000 0.482 373 L N 3.272 124.583 121.223 0.146 0.000 2.281 373 L HA 0.458 4.799 4.340 0.001 0.000 0.285 373 L C -0.079 176.906 176.870 0.193 0.000 1.074 373 L CA -0.364 54.643 54.840 0.278 0.000 0.817 373 L CB 0.242 42.506 42.059 0.342 0.000 1.168 373 L HN 0.730 nan 8.230 nan 0.000 0.434 374 I N 3.243 123.901 120.570 0.146 0.000 2.428 374 I HA 0.320 4.491 4.170 0.001 0.000 0.279 374 I C 0.684 176.566 176.117 -0.392 0.000 1.040 374 I CA -0.410 60.858 61.300 -0.053 0.000 1.171 374 I CB 1.407 39.396 38.000 -0.018 0.000 1.312 374 I HN 0.658 nan 8.210 nan 0.000 0.470 375 G N 5.231 113.697 108.800 -0.557 0.000 2.339 375 G HA2 0.581 4.542 3.960 0.001 0.000 0.287 375 G HA3 0.581 4.542 3.960 0.001 0.000 0.287 375 G C -0.485 174.158 174.900 -0.428 0.000 1.163 375 G CA -0.062 44.485 45.100 -0.922 0.000 0.872 375 G HN 0.642 nan 8.290 nan 0.000 0.464 376 E N 0.747 120.723 120.200 -0.373 0.000 2.460 376 E HA 0.183 4.534 4.350 0.001 0.000 0.277 376 E C -0.720 175.797 176.600 -0.139 0.000 1.010 376 E CA -0.891 55.395 56.400 -0.190 0.000 0.838 376 E CB 1.893 31.513 29.700 -0.133 0.000 1.448 376 E HN 0.531 nan 8.360 nan 0.000 0.462 377 E N 1.323 121.471 120.200 -0.086 0.000 2.452 377 E HA -0.121 4.229 4.350 0.001 0.000 0.261 377 E C 0.688 177.260 176.600 -0.047 0.000 0.987 377 E CA 0.426 56.792 56.400 -0.057 0.000 0.926 377 E CB 0.647 30.323 29.700 -0.039 0.000 0.934 377 E HN 0.510 nan 8.360 nan 0.000 0.452 378 E N 2.320 122.499 120.200 -0.035 0.000 2.086 378 E HA -0.297 4.054 4.350 0.001 0.000 0.200 378 E C 1.812 178.404 176.600 -0.014 0.000 1.012 378 E CA 2.004 58.392 56.400 -0.020 0.000 0.812 378 E CB -0.011 29.681 29.700 -0.012 0.000 0.743 378 E HN 0.530 nan 8.360 nan 0.000 0.453 379 S N -0.483 115.208 115.700 -0.014 0.000 2.399 379 S HA -0.155 4.316 4.470 0.001 0.000 0.231 379 S C 2.173 176.767 174.600 -0.009 0.000 1.022 379 S CA 1.470 59.664 58.200 -0.011 0.000 0.983 379 S CB -0.331 62.863 63.200 -0.010 0.000 0.803 379 S HN 0.237 nan 8.310 nan 0.000 0.480 380 S N 0.767 116.459 115.700 -0.014 0.000 2.383 380 S HA 0.048 4.518 4.470 0.001 0.000 0.227 380 S C 1.776 176.375 174.600 -0.001 0.000 1.026 380 S CA 0.982 59.176 58.200 -0.010 0.000 0.981 380 S CB -0.474 62.713 63.200 -0.022 0.000 0.818 380 S HN 0.523 nan 8.310 nan 0.000 0.472 381 I N 0.584 121.149 120.570 -0.008 0.000 2.163 381 I HA -0.129 4.042 4.170 0.001 0.000 0.240 381 I C 2.378 178.496 176.117 0.002 0.000 1.081 381 I CA 1.355 62.655 61.300 -0.001 0.000 1.353 381 I CB -2.064 35.937 38.000 0.002 0.000 1.054 381 I HN 0.333 nan 8.210 nan 0.000 0.407 382 Y N 0.777 121.078 120.300 0.001 0.000 2.139 382 Y HA -0.243 4.308 4.550 0.001 0.000 0.282 382 Y C 2.831 178.739 175.900 0.013 0.000 1.179 382 Y CA 0.537 58.636 58.100 -0.000 0.000 1.161 382 Y CB -1.437 37.015 38.460 -0.014 0.000 0.970 382 Y HN 0.439 nan 8.280 nan 0.000 0.511 383 A N 0.034 122.864 122.820 0.017 0.000 1.877 383 A HA -0.240 4.081 4.320 0.001 0.000 0.216 383 A C 2.143 179.768 177.584 0.067 0.000 1.186 383 A CA 1.857 53.912 52.037 0.031 0.000 0.620 383 A CB -0.729 18.283 19.000 0.020 0.000 0.822 383 A HN 0.619 nan 8.150 nan 0.000 0.443 384 R N -0.564 119.989 120.500 0.088 0.000 2.120 384 R HA -0.148 4.193 4.340 0.001 0.000 0.234 384 R C 2.457 178.927 176.300 0.283 0.000 1.123 384 R CA 1.607 57.815 56.100 0.180 0.000 0.975 384 R CB -0.339 30.080 30.300 0.200 0.000 0.866 384 R HN 0.692 nan 8.270 nan 0.000 0.446 385 Q N -0.030 119.844 119.800 0.123 0.000 2.050 385 Q HA -0.185 4.155 4.340 0.001 0.000 0.202 385 Q C 2.732 178.840 176.000 0.181 0.000 0.980 385 Q CA 2.123 57.974 55.803 0.080 0.000 0.840 385 Q CB -0.226 28.478 28.738 -0.058 0.000 0.898 385 Q HN 0.429 nan 8.270 nan 0.000 0.424 386 R N 1.344 121.917 120.500 0.122 0.000 2.080 386 R HA -0.205 4.136 4.340 0.001 0.000 0.236 386 R C 1.790 178.162 176.300 0.120 0.000 1.137 386 R CA 2.030 58.193 56.100 0.105 0.000 0.943 386 R CB -1.610 nan 30.300 nan 0.000 0.846 386 R HN 0.314 nan 8.270 nan 0.000 0.431 387 D N -1.303 119.170 120.400 0.121 0.000 2.097 387 D HA -0.034 4.606 4.640 0.001 0.000 0.195 387 D C 1.233 177.585 176.300 0.087 0.000 0.989 387 D CA 2.606 56.661 54.000 0.092 0.000 0.827 387 D CB -0.063 40.786 40.800 0.081 0.000 0.966 387 D HN 0.721 nan 8.370 nan 0.000 0.456 388 G N 0.739 109.624 108.800 0.143 0.000 2.141 388 G HA2 -0.257 3.703 3.960 0.001 0.000 0.195 388 G HA3 -0.257 3.703 3.960 0.001 0.000 0.195 388 G C 0.410 175.146 174.900 -0.274 0.000 1.012 388 G CA 0.013 45.061 45.100 -0.086 0.000 0.696 388 G HN 0.312 nan 8.290 nan 0.000 0.508 389 R N 0.184 120.679 120.500 -0.008 0.000 3.301 389 R HA 0.615 4.955 4.340 0.001 0.000 0.286 389 R C -0.338 176.047 176.300 0.141 0.000 1.386 389 R CA -0.540 55.560 56.100 0.000 0.000 1.607 389 R CB -0.301 30.036 30.300 0.061 0.000 1.305 389 R HN 0.528 nan 8.270 nan 0.000 0.637 390 F N -3.087 116.860 119.950 -0.005 0.000 2.678 390 F HA 0.529 5.057 4.527 0.001 0.000 0.308 390 F C 0.486 176.274 175.800 -0.020 0.000 1.118 390 F CA -1.177 56.820 58.000 -0.005 0.000 0.959 390 F CB 0.616 39.617 39.000 0.001 0.000 1.305 390 F HN -0.002 nan 8.300 nan 0.000 0.443 391 G N 0.955 109.834 108.800 0.133 0.000 2.439 391 G HA2 0.298 4.259 3.960 0.001 0.000 0.212 391 G HA3 0.298 4.259 3.960 0.001 0.000 0.212 391 G C -0.032 174.984 174.900 0.194 0.000 1.199 391 G CA 0.216 45.352 45.100 0.059 0.000 0.807 391 G HN 0.500 nan 8.290 nan 0.000 0.537 392 M N -0.282 119.452 119.600 0.223 0.000 2.501 392 M HA 0.617 5.098 4.480 0.001 0.000 0.293 392 M C -1.850 174.495 176.300 0.074 0.000 1.192 392 M CA -0.485 54.890 55.300 0.125 0.000 0.886 392 M CB 3.376 35.965 32.600 -0.017 0.000 1.710 392 M HN 0.087 nan 8.290 nan 0.000 0.457 393 I N 1.382 121.901 120.570 -0.085 0.000 2.644 393 I HA 0.443 4.614 4.170 0.001 0.000 0.291 393 I C -1.212 174.844 176.117 -0.101 0.000 1.180 393 I CA -0.456 60.760 61.300 -0.141 0.000 1.040 393 I CB 1.762 39.426 38.000 -0.561 0.000 1.255 393 I HN 0.523 nan 8.210 nan 0.000 0.422 394 F N 5.759 125.717 119.950 0.014 0.000 2.589 394 F HA 0.250 4.777 4.527 0.001 0.000 0.352 394 F C 0.375 176.242 175.800 0.111 0.000 1.168 394 F CA 1.117 59.144 58.000 0.045 0.000 1.353 394 F CB 0.265 39.290 39.000 0.041 0.000 1.116 394 F HN 0.498 nan 8.300 nan 0.000 0.608 395 H N 1.025 120.195 119.070 0.165 0.000 3.024 395 H HA 0.539 5.096 4.556 0.001 0.000 0.324 395 H C -1.351 174.029 175.328 0.086 0.000 1.347 395 H CA -1.397 54.717 56.048 0.110 0.000 1.182 395 H CB 1.296 31.110 29.762 0.086 0.000 1.889 395 H HN 0.608 nan 8.280 nan 0.000 0.528 396 R N 0.488 120.822 120.500 -0.276 0.000 2.836 396 R HA 0.680 5.021 4.340 0.001 0.000 0.269 396 R C -0.608 175.376 176.300 -0.528 0.000 1.010 396 R CA -0.620 55.299 56.100 -0.301 0.000 0.930 396 R CB 1.298 31.552 30.300 -0.077 0.000 1.218 396 R HN 0.676 nan 8.270 nan 0.000 0.473 397 T N -2.983 111.216 114.554 -0.591 0.000 2.814 397 T HA 0.262 4.613 4.350 0.001 0.000 0.284 397 T C -0.004 174.525 174.700 -0.285 0.000 0.998 397 T CA -0.584 60.928 62.100 -0.980 0.000 0.935 397 T CB 0.578 68.854 68.868 -0.986 0.000 1.167 397 T HN 0.677 nan 8.240 nan 0.000 0.545 398 W N 0.216 121.391 121.300 -0.209 0.000 2.998 398 W HA 0.512 5.173 4.660 0.002 0.000 0.336 398 W C 1.167 177.690 176.519 0.007 0.000 1.112 398 W CA 0.150 57.428 57.345 -0.110 0.000 1.682 398 W CB -1.140 28.186 29.460 -0.224 0.000 1.065 398 W HN 1.379 nan 8.180 nan 0.000 0.570 399 G N 0.965 109.917 108.800 0.254 0.000 2.730 399 G HA2 0.173 4.134 3.960 0.001 0.000 0.686 399 G HA3 0.173 4.134 3.960 0.001 0.000 0.686 399 G C -0.093 174.980 174.900 0.289 0.000 1.343 399 G CA -0.756 44.474 45.100 0.217 0.000 0.826 399 G HN 0.409 nan 8.290 nan 0.000 0.582 400 A N 1.279 124.208 122.820 0.182 0.000 2.498 400 A HA 0.620 4.941 4.320 0.001 0.000 0.239 400 A C -0.530 177.101 177.584 0.077 0.000 1.068 400 A CA 0.173 52.293 52.037 0.138 0.000 0.766 400 A CB 0.366 19.447 19.000 0.134 0.000 1.003 400 A HN 0.896 nan 8.150 nan 0.000 0.497 401 P HA 0.165 nan 4.420 nan 0.000 0.266 401 P C -0.089 177.203 177.300 -0.013 0.000 1.561 401 P CA 0.245 63.240 63.100 -0.176 0.000 1.089 401 P CB -0.057 31.262 31.700 -0.635 0.000 1.534 402 Y N -0.070 120.322 120.300 0.153 0.000 2.395 402 Y HA 0.014 4.565 4.550 0.001 0.000 0.293 402 Y C 0.860 176.876 175.900 0.194 0.000 1.123 402 Y CA 0.634 58.890 58.100 0.259 0.000 1.227 402 Y CB -0.465 38.340 38.460 0.576 0.000 1.012 402 Y HN -0.035 nan 8.280 nan 0.000 0.552 403 D N 1.008 121.574 120.400 0.277 0.000 2.225 403 D HA 0.126 4.767 4.640 0.001 0.000 0.248 403 D C -1.627 174.579 176.300 -0.157 0.000 1.096 403 D CA -1.974 52.034 54.000 0.014 0.000 0.863 403 D CB 1.294 42.114 40.800 0.033 0.000 1.156 403 D HN 0.071 nan 8.370 nan 0.000 0.450 404 P HA -0.062 nan 4.420 nan 0.000 0.239 404 P C 1.180 178.546 177.300 0.110 0.000 1.188 404 P CA 0.634 63.420 63.100 -0.523 0.000 0.794 404 P CB 0.194 31.436 31.700 -0.764 0.000 0.937 405 H N 0.671 119.833 119.070 0.154 0.000 2.357 405 H HA 0.096 4.653 4.556 0.001 0.000 0.301 405 H C 1.544 177.056 175.328 0.306 0.000 1.082 405 H CA 1.629 57.845 56.048 0.280 0.000 1.342 405 H CB -0.733 29.177 29.762 0.246 0.000 1.389 405 H HN 0.005 nan 8.280 nan 0.000 0.511 406 A N 0.757 123.296 122.820 -0.469 0.000 1.929 406 A HA -0.041 4.280 4.320 0.001 0.000 0.216 406 A C 2.361 180.159 177.584 0.356 0.000 1.176 406 A CA 0.769 52.812 52.037 0.010 0.000 0.628 406 A CB -1.143 18.051 19.000 0.324 0.000 0.816 406 A HN 0.431 nan 8.150 nan 0.000 0.444 407 F N 0.687 120.698 119.950 0.102 0.000 2.186 407 F HA -0.089 4.439 4.527 0.001 0.000 0.299 407 F C 1.910 177.683 175.800 -0.045 0.000 1.090 407 F CA 1.427 59.271 58.000 -0.259 0.000 1.307 407 F CB -0.030 38.813 39.000 -0.263 0.000 1.019 407 F HN 0.113 nan 8.300 nan 0.000 0.489 408 L N -1.130 120.238 121.223 0.241 0.000 2.056 408 L HA -0.199 4.141 4.340 0.001 0.000 0.207 408 L C 2.703 179.636 176.870 0.105 0.000 1.078 408 L CA 1.418 56.369 54.840 0.185 0.000 0.749 408 L CB -1.237 40.995 42.059 0.289 0.000 0.901 408 L HN 0.185 nan 8.230 nan 0.000 0.433 409 S N 0.281 116.071 115.700 0.150 0.000 2.365 409 S HA -0.257 4.214 4.470 0.001 0.000 0.225 409 S C 2.289 176.983 174.600 0.157 0.000 1.039 409 S CA 2.105 60.403 58.200 0.162 0.000 1.033 409 S CB -0.295 63.027 63.200 0.202 0.000 0.887 409 S HN 0.596 nan 8.310 nan 0.000 0.447 410 S N 0.848 116.655 115.700 0.178 0.000 2.442 410 S HA -0.049 4.422 4.470 0.001 0.000 0.236 410 S C 1.873 176.455 174.600 -0.030 0.000 1.007 410 S CA 1.283 59.595 58.200 0.186 0.000 0.965 410 S CB -0.669 62.686 63.200 0.258 0.000 0.773 410 S HN 0.643 nan 8.310 nan 0.000 0.504 411 M N 0.490 120.034 119.600 -0.092 0.000 2.539 411 M HA 0.011 4.492 4.480 0.001 0.000 0.261 411 M C 2.244 178.633 176.300 0.148 0.000 1.069 411 M CA 1.090 56.364 55.300 -0.043 0.000 1.081 411 M CB -0.301 32.284 32.600 -0.025 0.000 1.412 411 M HN 0.346 nan 8.290 nan 0.000 0.482 412 R N -0.453 120.149 120.500 0.170 0.000 2.246 412 R HA 0.134 4.475 4.340 0.001 0.000 0.199 412 R C 0.178 176.632 176.300 0.256 0.000 0.984 412 R CA 0.144 56.402 56.100 0.264 0.000 1.015 412 R CB 0.307 30.706 30.300 0.165 0.000 0.930 412 R HN 0.121 nan 8.270 nan 0.000 0.475 413 V N 3.158 123.145 119.914 0.121 0.000 2.408 413 V HA 0.101 4.222 4.120 0.001 0.000 0.267 413 V C -1.581 174.341 176.094 -0.287 0.000 1.047 413 V CA -1.340 60.947 62.300 -0.022 0.000 0.937 413 V CB 1.421 33.316 31.823 0.120 0.000 0.999 413 V HN -0.022 nan 8.190 nan 0.000 0.472 414 P HA -0.144 nan 4.420 nan 0.000 0.218 414 P C 0.556 177.529 177.300 -0.545 0.000 1.147 414 P CA 1.296 63.620 63.100 -1.293 0.000 0.827 414 P CB 0.278 31.519 31.700 -0.765 0.000 0.778 415 S N -1.330 114.253 115.700 -0.196 0.000 2.733 415 S HA 0.392 4.863 4.470 0.001 0.000 0.307 415 S C -0.445 174.312 174.600 0.261 0.000 1.127 415 S CA -0.662 57.549 58.200 0.019 0.000 1.097 415 S CB -0.205 63.007 63.200 0.021 0.000 1.003 415 S HN 0.252 nan 8.310 nan 0.000 0.477 416 H N 1.170 120.260 119.070 0.034 0.000 4.158 416 H HA 0.693 5.249 4.556 0.001 0.000 0.401 416 H C 1.407 176.777 175.328 0.070 0.000 1.523 416 H CA -0.533 55.538 56.048 0.037 0.000 1.010 416 H CB 0.148 29.914 29.762 0.006 0.000 1.283 416 H HN 0.362 nan 8.280 nan 0.000 0.771 417 A N 0.301 123.136 122.820 0.026 0.000 1.933 417 A HA -0.172 4.149 4.320 0.001 0.000 0.218 417 A C 1.454 179.015 177.584 -0.038 0.000 1.175 417 A CA 2.103 54.071 52.037 -0.115 0.000 0.628 417 A CB -0.864 17.813 19.000 -0.538 0.000 0.814 417 A HN 0.680 nan 8.150 nan 0.000 0.444 418 D N -1.391 118.955 120.400 -0.090 0.000 2.137 418 D HA -0.073 4.567 4.640 0.001 0.000 0.202 418 D C 1.689 178.013 176.300 0.040 0.000 0.970 418 D CA 1.071 55.066 54.000 -0.007 0.000 0.837 418 D CB -0.317 40.438 40.800 -0.075 0.000 0.981 418 D HN 0.458 nan 8.370 nan 0.000 0.475 419 F N 2.340 122.247 119.950 -0.073 0.000 2.102 419 F HA -0.202 4.326 4.527 0.002 0.000 0.298 419 F C 2.437 178.233 175.800 -0.007 0.000 1.105 419 F CA 1.391 59.373 58.000 -0.031 0.000 1.239 419 F CB -0.086 38.902 39.000 -0.020 0.000 0.991 419 F HN -0.209 nan 8.300 nan 0.000 0.474 420 Q N 0.517 120.520 119.800 0.339 0.000 2.061 420 Q HA -0.166 4.175 4.340 0.001 0.000 0.204 420 Q C 2.499 178.528 176.000 0.048 0.000 0.984 420 Q CA 1.679 57.621 55.803 0.232 0.000 0.846 420 Q CB -1.211 27.698 28.738 0.284 0.000 0.902 420 Q HN 0.542 nan 8.270 nan 0.000 0.421 421 A N 0.671 123.565 122.820 0.123 0.000 2.015 421 A HA -0.172 4.149 4.320 0.001 0.000 0.219 421 A C 1.845 179.352 177.584 -0.129 0.000 1.163 421 A CA 1.229 53.281 52.037 0.024 0.000 0.646 421 A CB -0.237 18.808 19.000 0.076 0.000 0.806 421 A HN 0.392 nan 8.150 nan 0.000 0.448 422 Q N -1.559 118.141 119.800 -0.168 0.000 2.356 422 Q HA -0.022 4.319 4.340 0.001 0.000 0.205 422 Q C 1.853 177.680 176.000 -0.288 0.000 0.901 422 Q CA 0.383 56.050 55.803 -0.225 0.000 0.938 422 Q CB 0.157 28.766 28.738 -0.215 0.000 1.081 422 Q HN 0.609 nan 8.270 nan 0.000 0.517 423 Q N 0.828 120.435 119.800 -0.323 0.000 2.152 423 Q HA -0.124 4.217 4.340 0.001 0.000 0.206 423 Q C 1.668 177.548 176.000 -0.199 0.000 0.985 423 Q CA 1.875 57.478 55.803 -0.334 0.000 0.863 423 Q CB -0.518 28.098 28.738 -0.203 0.000 0.904 423 Q HN 0.426 nan 8.270 nan 0.000 0.422 424 G N -0.984 107.721 108.800 -0.158 0.000 3.088 424 G HA2 0.171 4.132 3.960 0.001 0.000 0.212 424 G HA3 0.171 4.132 3.960 0.001 0.000 0.212 424 G C -0.201 174.640 174.900 -0.099 0.000 1.173 424 G CA -0.327 44.705 45.100 -0.113 0.000 0.779 424 G HN 0.240 nan 8.290 nan 0.000 0.540 425 L N 1.211 122.365 121.223 -0.115 0.000 2.315 425 L HA 0.330 4.671 4.340 0.001 0.000 0.283 425 L C 1.892 178.718 176.870 -0.074 0.000 1.089 425 L CA -0.672 54.115 54.840 -0.089 0.000 0.833 425 L CB 1.424 43.428 42.059 -0.093 0.000 1.170 425 L HN 0.107 nan 8.230 nan 0.000 0.442 426 A N 2.084 124.874 122.820 -0.051 0.000 2.054 426 A HA -0.255 4.066 4.320 0.001 0.000 0.223 426 A C 1.878 179.442 177.584 -0.033 0.000 1.169 426 A CA 2.005 54.020 52.037 -0.036 0.000 0.655 426 A CB -0.330 18.655 19.000 -0.024 0.000 0.812 426 A HN 0.859 nan 8.150 nan 0.000 0.462 427 D N -1.027 119.352 120.400 -0.036 0.000 2.347 427 D HA -0.062 4.579 4.640 0.001 0.000 0.215 427 D C 1.823 178.102 176.300 -0.034 0.000 0.976 427 D CA 0.899 54.884 54.000 -0.025 0.000 0.884 427 D CB 0.030 40.818 40.800 -0.019 0.000 0.915 427 D HN 0.401 nan 8.370 nan 0.000 0.526 428 K N 1.132 121.494 120.400 -0.063 0.000 2.032 428 K HA -0.092 4.229 4.320 0.001 0.000 0.209 428 K C -1.074 175.490 176.600 -0.061 0.000 1.048 428 K CA 1.337 57.569 56.287 -0.092 0.000 0.927 428 K CB -1.152 31.245 32.500 -0.171 0.000 0.712 428 K HN 0.136 nan 8.250 nan 0.000 0.441 429 P HA -0.126 nan 4.420 nan 0.000 0.218 429 P C 1.202 178.504 177.300 0.004 0.000 1.149 429 P CA 0.746 63.843 63.100 -0.007 0.000 0.817 429 P CB -0.000 31.701 31.700 0.001 0.000 0.785 430 L N -0.518 120.704 121.223 -0.001 0.000 2.017 430 L HA -0.123 4.218 4.340 0.001 0.000 0.208 430 L C 2.193 179.069 176.870 0.010 0.000 1.073 430 L CA 1.734 56.578 54.840 0.006 0.000 0.745 430 L CB -1.318 40.745 42.059 0.006 0.000 0.894 430 L HN -0.121 nan 8.230 nan 0.000 0.432 431 I N -0.452 120.122 120.570 0.006 0.000 2.226 431 I HA -0.277 3.894 4.170 0.001 0.000 0.245 431 I C 1.961 178.092 176.117 0.024 0.000 1.100 431 I CA 1.298 62.608 61.300 0.017 0.000 1.374 431 I CB -0.486 37.523 38.000 0.015 0.000 1.057 431 I HN 0.255 nan 8.210 nan 0.000 0.413 432 D N 0.782 121.195 120.400 0.022 0.000 2.144 432 D HA -0.197 4.443 4.640 0.001 0.000 0.199 432 D C 2.069 178.396 176.300 0.044 0.000 0.984 432 D CA 1.021 55.048 54.000 0.046 0.000 0.834 432 D CB -0.234 40.607 40.800 0.068 0.000 0.955 432 D HN 0.291 nan 8.370 nan 0.000 0.465 433 K N 0.974 121.393 120.400 0.032 0.000 2.057 433 K HA -0.141 4.179 4.320 0.001 0.000 0.206 433 K C 1.757 178.368 176.600 0.019 0.000 1.050 433 K CA 1.070 57.374 56.287 0.028 0.000 0.935 433 K CB 0.104 32.618 32.500 0.024 0.000 0.715 433 K HN 0.081 nan 8.250 nan 0.000 0.439 434 E N 0.525 120.732 120.200 0.010 0.000 2.072 434 E HA -0.132 4.219 4.350 0.001 0.000 0.190 434 E C 2.091 178.671 176.600 -0.033 0.000 0.982 434 E CA 1.070 57.463 56.400 -0.011 0.000 0.803 434 E CB -0.086 29.607 29.700 -0.012 0.000 0.755 434 E HN 0.306 nan 8.360 nan 0.000 0.453 435 I N 0.986 121.551 120.570 -0.008 0.000 2.118 435 I HA -0.286 3.885 4.170 0.001 0.000 0.241 435 I C 2.564 178.689 176.117 0.013 0.000 1.070 435 I CA 1.493 62.792 61.300 -0.002 0.000 1.327 435 I CB -0.704 37.327 38.000 0.052 0.000 1.034 435 I HN 0.192 nan 8.210 nan 0.000 0.405 436 G N 0.214 109.035 108.800 0.036 0.000 2.476 436 G HA2 -0.274 3.687 3.960 0.001 0.000 0.218 436 G HA3 -0.274 3.687 3.960 0.001 0.000 0.218 436 G C 1.525 176.451 174.900 0.044 0.000 1.164 436 G CA 1.016 46.147 45.100 0.051 0.000 0.768 436 G HN 0.461 nan 8.290 nan 0.000 0.560 437 E N -0.390 119.819 120.200 0.016 0.000 2.150 437 E HA -0.027 4.324 4.350 0.001 0.000 0.193 437 E C 2.562 179.152 176.600 -0.017 0.000 0.985 437 E CA 0.486 56.892 56.400 0.011 0.000 0.814 437 E CB -0.161 29.539 29.700 -0.001 0.000 0.752 437 E HN 0.239 nan 8.360 nan 0.000 0.466 438 V N 1.031 120.893 119.914 -0.088 0.000 2.469 438 V HA -0.217 3.904 4.120 0.001 0.000 0.251 438 V C 1.694 177.785 176.094 -0.005 0.000 1.064 438 V CA 1.326 63.512 62.300 -0.190 0.000 1.066 438 V CB -0.083 31.430 31.823 -0.517 0.000 0.667 438 V HN 0.252 nan 8.190 nan 0.000 0.461 439 L N -0.698 120.569 121.223 0.072 0.000 2.509 439 L HA 0.240 4.581 4.340 0.001 0.000 0.222 439 L C 2.247 179.230 176.870 0.187 0.000 1.123 439 L CA 1.619 56.538 54.840 0.132 0.000 0.856 439 L CB -1.171 40.993 42.059 0.175 0.000 0.985 439 L HN 0.340 nan 8.230 nan 0.000 0.456 440 A N -1.845 121.083 122.820 0.179 0.000 1.956 440 A HA 0.033 4.353 4.320 0.001 0.000 0.212 440 A C 1.417 179.114 177.584 0.188 0.000 1.188 440 A CA 0.490 52.646 52.037 0.198 0.000 0.675 440 A CB -0.286 18.803 19.000 0.148 0.000 0.845 440 A HN 0.276 nan 8.150 nan 0.000 0.455 441 T N -0.689 113.926 114.554 0.101 0.000 2.884 441 T HA 0.273 4.624 4.350 0.001 0.000 0.298 441 T C 0.511 175.110 174.700 -0.169 0.000 0.998 441 T CA 0.032 62.152 62.100 0.034 0.000 1.124 441 T CB 0.256 69.122 68.868 -0.003 0.000 0.931 441 T HN 0.434 nan 8.240 nan 0.000 0.531 442 H N 1.660 120.706 119.070 -0.039 0.000 2.551 442 H HA 0.292 4.848 4.556 0.001 0.000 0.271 442 H C 0.246 175.516 175.328 -0.097 0.000 0.984 442 H CA -0.114 55.877 56.048 -0.095 0.000 1.164 442 H CB 0.429 30.190 29.762 -0.002 0.000 1.437 442 H HN 0.471 nan 8.280 nan 0.000 0.550 443 D N 0.704 121.107 120.400 0.005 0.000 2.329 443 D HA 0.001 4.642 4.640 0.001 0.000 0.232 443 D C 0.671 176.958 176.300 -0.020 0.000 1.088 443 D CA -0.082 53.922 54.000 0.008 0.000 0.835 443 D CB 1.144 41.961 40.800 0.029 0.000 1.078 443 D HN 0.146 nan 8.370 nan 0.000 0.495 444 E N 1.694 121.894 120.200 0.000 0.000 2.153 444 E HA -0.136 4.215 4.350 0.001 0.000 0.194 444 E C 1.816 178.462 176.600 0.076 0.000 0.988 444 E CA 1.185 57.612 56.400 0.046 0.000 0.811 444 E CB -0.064 29.679 29.700 0.071 0.000 0.746 444 E HN 0.716 nan 8.360 nan 0.000 0.466 445 T N -1.571 113.014 114.554 0.052 0.000 2.904 445 T HA -0.126 4.225 4.350 0.001 0.000 0.267 445 T C 1.893 176.621 174.700 0.048 0.000 1.059 445 T CA 0.961 63.095 62.100 0.056 0.000 1.137 445 T CB -0.084 68.810 68.868 0.042 0.000 0.879 445 T HN 0.094 nan 8.240 nan 0.000 0.467 446 Q N 0.429 120.244 119.800 0.025 0.000 2.050 446 Q HA 0.001 4.341 4.340 0.001 0.000 0.202 446 Q C 2.722 178.714 176.000 -0.014 0.000 0.980 446 Q CA 1.253 57.059 55.803 0.006 0.000 0.840 446 Q CB -0.163 28.574 28.738 -0.002 0.000 0.898 446 Q HN 0.501 nan 8.270 nan 0.000 0.424 447 R N 0.559 121.041 120.500 -0.030 0.000 2.083 447 R HA -0.186 4.155 4.340 0.001 0.000 0.237 447 R C 2.306 178.639 176.300 0.055 0.000 1.137 447 R CA 1.714 57.762 56.100 -0.087 0.000 0.951 447 R CB -0.039 30.180 30.300 -0.136 0.000 0.851 447 R HN 0.348 nan 8.270 nan 0.000 0.434 448 Q N -0.710 119.201 119.800 0.185 0.000 2.112 448 Q HA -0.203 4.138 4.340 0.001 0.000 0.206 448 Q C 2.027 178.141 176.000 0.189 0.000 0.987 448 Q CA 1.915 57.885 55.803 0.278 0.000 0.858 448 Q CB -0.152 28.717 28.738 0.220 0.000 0.905 448 Q HN 0.388 nan 8.270 nan 0.000 0.420 449 A N 0.423 123.304 122.820 0.102 0.000 1.930 449 A HA -0.042 4.279 4.320 0.001 0.000 0.215 449 A C 2.055 179.669 177.584 0.050 0.000 1.176 449 A CA 0.563 52.645 52.037 0.074 0.000 0.632 449 A CB -0.413 18.617 19.000 0.049 0.000 0.819 449 A HN 0.239 nan 8.150 nan 0.000 0.445 450 L N -1.915 119.302 121.223 -0.011 0.000 2.017 450 L HA -0.230 4.111 4.340 0.001 0.000 0.208 450 L C 2.548 179.380 176.870 -0.062 0.000 1.073 450 L CA 1.627 56.420 54.840 -0.079 0.000 0.745 450 L CB -0.727 41.220 42.059 -0.186 0.000 0.894 450 L HN 0.486 nan 8.230 nan 0.000 0.432 451 Y N -0.232 120.070 120.300 0.004 0.000 2.165 451 Y HA -0.310 4.241 4.550 0.001 0.000 0.286 451 Y C 2.939 178.886 175.900 0.078 0.000 1.155 451 Y CA 1.579 59.700 58.100 0.035 0.000 1.164 451 Y CB -0.192 38.279 38.460 0.018 0.000 0.978 451 Y HN 0.117 nan 8.280 nan 0.000 0.513 452 R N 0.556 121.193 120.500 0.229 0.000 2.073 452 R HA -0.202 4.139 4.340 0.001 0.000 0.234 452 R C 1.795 178.172 176.300 0.127 0.000 1.134 452 R CA 2.182 58.378 56.100 0.161 0.000 0.952 452 R CB -0.498 29.876 30.300 0.124 0.000 0.850 452 R HN 0.280 nan 8.270 nan 0.000 0.433 453 D N -0.033 120.426 120.400 0.098 0.000 2.117 453 D HA -0.130 4.511 4.640 0.001 0.000 0.197 453 D C 1.888 178.242 176.300 0.091 0.000 0.987 453 D CA 1.588 55.635 54.000 0.078 0.000 0.829 453 D CB 0.033 40.862 40.800 0.050 0.000 0.961 453 D HN 0.344 nan 8.370 nan 0.000 0.460 454 I N -0.052 120.578 120.570 0.100 0.000 2.113 454 I HA -0.242 3.929 4.170 0.001 0.000 0.238 454 I C 2.400 178.619 176.117 0.170 0.000 1.070 454 I CA 0.841 62.214 61.300 0.121 0.000 1.332 454 I CB -0.239 37.835 38.000 0.123 0.000 1.044 454 I HN 0.094 nan 8.210 nan 0.000 0.402 455 L N -0.239 121.114 121.223 0.216 0.000 2.093 455 L HA -0.173 4.168 4.340 0.001 0.000 0.208 455 L C 2.606 179.599 176.870 0.204 0.000 1.085 455 L CA 1.330 56.315 54.840 0.242 0.000 0.755 455 L CB -0.842 41.377 42.059 0.267 0.000 0.904 455 L HN 0.298 nan 8.230 nan 0.000 0.435 456 T N -0.656 113.995 114.554 0.162 0.000 2.708 456 T HA -0.182 4.169 4.350 0.001 0.000 0.266 456 T C 2.049 176.845 174.700 0.160 0.000 1.037 456 T CA 1.234 63.422 62.100 0.146 0.000 1.146 456 T CB -0.133 68.798 68.868 0.105 0.000 0.865 456 T HN 0.275 nan 8.240 nan 0.000 0.435 457 R N 0.480 121.055 120.500 0.126 0.000 2.081 457 R HA 0.045 4.386 4.340 0.001 0.000 0.235 457 R C 2.503 178.863 176.300 0.101 0.000 1.131 457 R CA 1.079 57.237 56.100 0.096 0.000 0.960 457 R CB -0.556 29.786 30.300 0.070 0.000 0.856 457 R HN 0.362 nan 8.270 nan 0.000 0.436 458 L N -0.438 120.870 121.223 0.141 0.000 2.083 458 L HA -0.226 4.115 4.340 0.001 0.000 0.209 458 L C 2.717 179.682 176.870 0.159 0.000 1.083 458 L CA 1.241 56.175 54.840 0.158 0.000 0.752 458 L CB -0.708 41.508 42.059 0.261 0.000 0.899 458 L HN 0.386 nan 8.230 nan 0.000 0.433 459 H N 0.339 119.469 119.070 0.100 0.000 2.333 459 H HA -0.133 4.423 4.556 0.001 0.000 0.302 459 H C 1.451 176.800 175.328 0.035 0.000 1.075 459 H CA 1.636 57.729 56.048 0.074 0.000 1.348 459 H CB 0.352 30.157 29.762 0.071 0.000 1.393 459 H HN 0.298 nan 8.280 nan 0.000 0.509 460 D N 0.533 120.985 120.400 0.087 0.000 2.277 460 D HA -0.067 4.574 4.640 0.001 0.000 0.208 460 D C 1.410 177.685 176.300 -0.042 0.000 0.962 460 D CA 0.597 54.610 54.000 0.022 0.000 0.865 460 D CB -0.109 40.739 40.800 0.080 0.000 0.939 460 D HN 0.568 nan 8.370 nan 0.000 0.510 461 E N 0.266 120.444 120.200 -0.036 0.000 2.476 461 E HA 0.243 4.594 4.350 0.001 0.000 0.191 461 E C 0.551 177.088 176.600 -0.104 0.000 1.064 461 E CA 0.098 56.462 56.400 -0.059 0.000 0.866 461 E CB 0.257 29.931 29.700 -0.043 0.000 0.952 461 E HN 0.091 nan 8.360 nan 0.000 0.492 462 A N 0.784 123.517 122.820 -0.145 0.000 2.665 462 A HA -0.232 4.089 4.320 0.001 0.000 0.301 462 A C 1.531 179.012 177.584 -0.172 0.000 1.509 462 A CA 0.650 52.581 52.037 -0.177 0.000 0.789 462 A CB -2.365 16.522 19.000 -0.189 0.000 1.024 462 A HN 0.222 nan 8.150 nan 0.000 0.460 463 V N -2.333 117.460 119.914 -0.202 0.000 2.490 463 V HA -0.145 3.976 4.120 0.001 0.000 0.250 463 V C 1.192 176.975 176.094 -0.519 0.000 1.061 463 V CA 2.055 64.119 62.300 -0.393 0.000 1.064 463 V CB -0.783 30.682 31.823 -0.597 0.000 0.670 463 V HN 0.668 nan 8.190 nan 0.000 0.461 464 Y N -1.745 118.513 120.300 -0.070 0.000 2.549 464 Y HA 0.650 5.200 4.550 0.001 0.000 0.339 464 Y C -0.199 175.633 175.900 -0.113 0.000 1.053 464 Y CA -1.139 56.919 58.100 -0.070 0.000 1.105 464 Y CB 1.808 40.234 38.460 -0.056 0.000 1.258 464 Y HN -0.147 nan 8.280 nan 0.000 0.478 465 L N 5.029 126.288 121.223 0.059 0.000 2.387 465 L HA 0.504 4.844 4.340 0.001 0.000 0.259 465 L C -2.692 174.146 176.870 -0.052 0.000 1.050 465 L CA -2.034 52.784 54.840 -0.037 0.000 0.922 465 L CB 0.877 42.882 42.059 -0.090 0.000 1.280 465 L HN 0.366 nan 8.230 nan 0.000 0.449 466 P HA 0.101 nan 4.420 nan 0.000 0.266 466 P C 0.263 177.468 177.300 -0.159 0.000 1.195 466 P CA 0.360 63.383 63.100 -0.130 0.000 0.768 466 P CB 1.169 32.794 31.700 -0.126 0.000 0.838 467 I N -0.188 120.267 120.570 -0.192 0.000 3.518 467 I HA 0.115 4.286 4.170 0.001 0.000 0.260 467 I C 0.914 176.883 176.117 -0.246 0.000 1.148 467 I CA 0.568 61.767 61.300 -0.169 0.000 1.440 467 I CB 0.326 38.272 38.000 -0.090 0.000 1.485 467 I HN 0.338 nan 8.210 nan 0.000 0.456 468 S N -1.130 114.391 115.700 -0.298 0.000 2.596 468 S HA 0.537 5.008 4.470 0.001 0.000 0.270 468 S C -1.986 172.387 174.600 -0.379 0.000 1.155 468 S CA -0.424 57.573 58.200 -0.337 0.000 0.827 468 S CB 1.165 64.271 63.200 -0.157 0.000 1.130 468 S HN 0.060 nan 8.310 nan 0.000 0.467 469 Y N 2.245 122.509 120.300 -0.060 0.000 2.328 469 Y HA 0.576 5.127 4.550 0.001 0.000 0.337 469 Y C 0.393 176.251 175.900 -0.069 0.000 0.966 469 Y CA -1.119 56.941 58.100 -0.067 0.000 1.136 469 Y CB 0.850 39.276 38.460 -0.057 0.000 1.170 469 Y HN 0.686 nan 8.280 nan 0.000 0.470 470 I N -0.830 119.780 120.570 0.066 0.000 2.947 470 I HA 0.873 5.043 4.170 0.001 0.000 0.314 470 I C -0.149 175.944 176.117 -0.039 0.000 1.028 470 I CA -0.799 60.493 61.300 -0.013 0.000 1.077 470 I CB 1.860 39.834 38.000 -0.044 0.000 1.274 470 I HN 0.318 nan 8.210 nan 0.000 0.485 471 S N 2.884 118.529 115.700 -0.091 0.000 2.638 471 S HA 0.659 5.129 4.470 0.001 0.000 0.302 471 S C -0.261 174.232 174.600 -0.178 0.000 1.096 471 S CA -0.826 57.290 58.200 -0.139 0.000 0.953 471 S CB 1.354 64.464 63.200 -0.150 0.000 1.107 471 S HN 0.564 nan 8.310 nan 0.000 0.503 472 M N 1.791 121.253 119.600 -0.230 0.000 2.198 472 M HA 0.430 4.911 4.480 0.001 0.000 0.315 472 M C -0.351 175.782 176.300 -0.278 0.000 1.134 472 M CA 0.331 55.486 55.300 -0.242 0.000 1.171 472 M CB 0.127 32.565 32.600 -0.271 0.000 1.413 472 M HN 0.727 nan 8.290 nan 0.000 0.467 473 M N 1.187 120.603 119.600 -0.306 0.000 2.324 473 M HA 0.563 5.043 4.480 0.001 0.000 0.288 473 M C -1.934 174.198 176.300 -0.280 0.000 1.097 473 M CA -0.456 54.633 55.300 -0.352 0.000 0.928 473 M CB 1.957 34.247 32.600 -0.518 0.000 1.648 473 M HN 0.359 nan 8.290 nan 0.000 0.460 474 V N 4.510 124.350 119.914 -0.124 0.000 2.656 474 V HA 0.729 4.849 4.120 0.001 0.000 0.307 474 V C -1.143 174.958 176.094 0.011 0.000 1.051 474 V CA -0.719 61.521 62.300 -0.100 0.000 0.893 474 V CB 2.216 33.957 31.823 -0.138 0.000 0.999 474 V HN 0.660 nan 8.190 nan 0.000 0.426 475 V N 3.627 123.501 119.914 -0.067 0.000 2.525 475 V HA 0.813 4.934 4.120 0.001 0.000 0.299 475 V C -0.249 175.663 176.094 -0.303 0.000 1.034 475 V CA -0.272 61.876 62.300 -0.254 0.000 0.863 475 V CB 1.811 33.392 31.823 -0.404 0.000 0.999 475 V HN 1.055 nan 8.190 nan 0.000 0.423 476 S N 3.531 119.149 115.700 -0.137 0.000 2.607 476 S HA 0.653 5.124 4.470 0.001 0.000 0.273 476 S C -1.085 173.714 174.600 0.332 0.000 1.148 476 S CA -1.216 57.083 58.200 0.165 0.000 0.833 476 S CB 1.972 65.290 63.200 0.196 0.000 1.130 476 S HN 0.512 nan 8.310 nan 0.000 0.470 477 K N 1.239 121.831 120.400 0.320 0.000 2.350 477 K HA 0.256 4.577 4.320 0.001 0.000 0.279 477 K C -1.910 174.780 176.600 0.151 0.000 1.027 477 K CA -1.907 54.514 56.287 0.224 0.000 0.969 477 K CB 0.416 32.973 32.500 0.095 0.000 0.954 477 K HN 0.357 nan 8.250 nan 0.000 0.474 478 P HA -0.253 nan 4.420 nan 0.000 0.219 478 P C 0.957 178.251 177.300 -0.010 0.000 1.146 478 P CA 1.170 64.299 63.100 0.048 0.000 0.808 478 P CB 0.117 31.852 31.700 0.058 0.000 0.779 479 E N 0.482 120.689 120.200 0.012 0.000 2.265 479 E HA -0.155 4.196 4.350 0.001 0.000 0.196 479 E C 1.475 178.070 176.600 -0.008 0.000 0.996 479 E CA 0.967 57.365 56.400 -0.003 0.000 0.832 479 E CB -0.991 28.711 29.700 0.002 0.000 0.756 479 E HN 0.293 nan 8.360 nan 0.000 0.491 480 L N 0.660 121.884 121.223 0.001 0.000 2.552 480 L HA 0.134 4.475 4.340 0.001 0.000 0.227 480 L C 1.448 178.299 176.870 -0.031 0.000 1.146 480 L CA 0.386 55.228 54.840 0.003 0.000 0.858 480 L CB -0.883 41.198 42.059 0.037 0.000 0.969 480 L HN 0.378 nan 8.230 nan 0.000 0.451 481 G N 0.551 109.298 108.800 -0.088 0.000 2.645 481 G HA2 -0.280 3.681 3.960 0.001 0.000 0.239 481 G HA3 -0.280 3.681 3.960 0.001 0.000 0.239 481 G C -0.178 174.608 174.900 -0.189 0.000 1.331 481 G CA -0.468 44.550 45.100 -0.137 0.000 0.890 481 G HN 0.305 nan 8.290 nan 0.000 0.572 482 N N 0.560 119.180 118.700 -0.133 0.000 2.454 482 N HA 0.217 4.958 4.740 0.001 0.000 0.260 482 N C 0.217 175.709 175.510 -0.030 0.000 1.218 482 N CA 0.125 53.142 53.050 -0.055 0.000 0.904 482 N CB 0.150 38.620 38.487 -0.028 0.000 1.065 482 N HN 0.379 nan 8.380 nan 0.000 0.462 483 I N 4.740 125.301 120.570 -0.015 0.000 2.321 483 I HA 0.331 4.501 4.170 0.001 0.000 0.291 483 I C -2.083 173.889 176.117 -0.243 0.000 0.998 483 I CA -2.208 59.058 61.300 -0.056 0.000 1.227 483 I CB 0.869 38.888 38.000 0.031 0.000 1.368 483 I HN 0.211 nan 8.210 nan 0.000 0.466 484 P HA 0.333 nan 4.420 nan 0.000 0.278 484 P C -1.305 175.819 177.300 -0.293 0.000 1.258 484 P CA -0.270 62.676 63.100 -0.258 0.000 0.811 484 P CB 0.505 32.156 31.700 -0.081 0.000 1.063 485 Y N -0.319 120.052 120.300 0.119 0.000 2.342 485 Y HA 0.541 5.091 4.550 0.001 0.000 0.334 485 Y C 1.013 176.973 175.900 0.101 0.000 1.067 485 Y CA -1.165 57.023 58.100 0.147 0.000 1.128 485 Y CB 1.023 39.540 38.460 0.094 0.000 1.200 485 Y HN 0.347 nan 8.280 nan 0.000 0.464 486 A N 4.166 127.131 122.820 0.243 0.000 2.371 486 A HA 0.319 4.640 4.320 0.001 0.000 0.257 486 A C -1.686 176.006 177.584 0.180 0.000 1.089 486 A CA -1.341 50.783 52.037 0.146 0.000 0.794 486 A CB 0.153 19.204 19.000 0.086 0.000 1.029 486 A HN 0.657 nan 8.150 nan 0.000 0.488 487 P HA -0.037 nan 4.420 nan 0.000 0.218 487 P C 0.002 177.475 177.300 0.288 0.000 1.149 487 P CA 0.948 64.189 63.100 0.236 0.000 0.817 487 P CB -0.032 31.798 31.700 0.217 0.000 0.785 488 I N -0.441 120.256 120.570 0.213 0.000 2.371 488 I HA 0.142 4.313 4.170 0.001 0.000 0.290 488 I C 1.538 177.750 176.117 0.158 0.000 1.028 488 I CA -0.536 60.844 61.300 0.133 0.000 1.345 488 I CB 1.424 39.467 38.000 0.070 0.000 1.407 488 I HN -0.106 nan 8.210 nan 0.000 0.501 489 A N 4.277 127.203 122.820 0.176 0.000 1.972 489 A HA -0.159 4.162 4.320 0.001 0.000 0.219 489 A C 2.177 179.868 177.584 0.178 0.000 1.169 489 A CA 2.139 54.279 52.037 0.172 0.000 0.635 489 A CB -0.814 18.281 19.000 0.157 0.000 0.810 489 A HN 0.822 nan 8.150 nan 0.000 0.446 490 T N -1.575 113.086 114.554 0.177 0.000 3.055 490 T HA 0.059 4.410 4.350 0.001 0.000 0.265 490 T C 0.603 175.382 174.700 0.132 0.000 1.111 490 T CA 0.509 62.703 62.100 0.157 0.000 1.118 490 T CB -0.266 68.678 68.868 0.127 0.000 0.909 490 T HN 0.591 nan 8.240 nan 0.000 0.501 491 E N 0.840 121.101 120.200 0.101 0.000 2.349 491 E HA 0.512 4.863 4.350 0.001 0.000 0.262 491 E C -0.538 176.015 176.600 -0.077 0.000 1.088 491 E CA -0.451 55.970 56.400 0.035 0.000 0.899 491 E CB 1.106 30.821 29.700 0.025 0.000 1.044 491 E HN 0.409 nan 8.360 nan 0.000 0.420 492 I N 2.539 122.952 120.570 -0.262 0.000 2.406 492 I HA 0.233 4.404 4.170 0.001 0.000 0.290 492 I C -2.209 173.532 176.117 -0.626 0.000 0.999 492 I CA -2.269 58.575 61.300 -0.759 0.000 1.124 492 I CB 1.862 39.095 38.000 -1.278 0.000 1.289 492 I HN 0.240 nan 8.210 nan 0.000 0.441 493 P HA 0.296 nan 4.420 nan 0.000 0.205 493 P C 0.535 177.717 177.300 -0.197 0.000 1.858 493 P CA -0.401 62.565 63.100 -0.224 0.000 0.998 493 P CB -0.188 31.446 31.700 -0.109 0.000 1.875 494 F N 1.747 121.620 119.950 -0.129 0.000 2.147 494 F HA -0.261 4.267 4.527 0.001 0.000 0.301 494 F C 2.389 178.278 175.800 0.148 0.000 1.084 494 F CA 1.279 59.200 58.000 -0.131 0.000 1.268 494 F CB -0.462 38.254 39.000 -0.472 0.000 1.009 494 F HN 0.204 nan 8.300 nan 0.000 0.486 495 E N 0.740 121.232 120.200 0.488 0.000 2.409 495 E HA -0.220 4.131 4.350 0.001 0.000 0.198 495 E C 1.429 178.147 176.600 0.196 0.000 1.024 495 E CA 1.047 57.690 56.400 0.405 0.000 0.861 495 E CB -0.619 29.226 29.700 0.242 0.000 0.788 495 E HN 0.550 nan 8.360 nan 0.000 0.521 496 Q N 0.046 119.928 119.800 0.137 0.000 2.356 496 Q HA 0.287 4.628 4.340 0.001 0.000 0.205 496 Q C 0.204 176.243 176.000 0.066 0.000 0.901 496 Q CA -0.246 55.603 55.803 0.077 0.000 0.938 496 Q CB 0.534 29.297 28.738 0.041 0.000 1.081 496 Q HN 0.250 nan 8.270 nan 0.000 0.517 497 I N 2.025 122.649 120.570 0.090 0.000 2.452 497 I HA 0.007 4.178 4.170 0.001 0.000 0.287 497 I C -0.022 176.140 176.117 0.075 0.000 1.079 497 I CA 0.306 61.650 61.300 0.074 0.000 1.387 497 I CB 0.661 38.715 38.000 0.089 0.000 1.404 497 I HN -0.205 nan 8.210 nan 0.000 0.522 498 K N 8.538 128.966 120.400 0.047 0.000 2.257 498 K HA 0.356 4.677 4.320 0.001 0.000 0.270 498 K C -2.190 174.428 176.600 0.029 0.000 1.098 498 K CA -1.476 54.834 56.287 0.038 0.000 0.943 498 K CB 0.637 33.152 32.500 0.024 0.000 1.316 498 K HN 0.376 nan 8.250 nan 0.000 0.447 499 P HA 0.000 nan 4.420 nan 0.000 0.216 499 P CA 0.000 63.115 63.100 0.024 0.000 0.800 499 P CB 0.000 31.717 31.700 0.029 0.000 0.726