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 2wss_1_A DATA FIRST_RESID 1 DATA SEQUENCE QKTGTAEVSS ILEERILGAD TSVDLEETGR VLSIGDGIAR VHGLRNVQAE DATA SEQUENCE EMVEFSSGLK GMSLNLEPDN VGVVVFGNDK LIKEGDIVKR TGAIVDVPVG DATA SEQUENCE EELLGRVVDA LGNAIDGKGP IGSKARRRVG LKAPGIIPRI SVREPMQTGI DATA SEQUENCE KAVDSLVPIG RGQRELIIGD RQTGKTSIAI DTIINQKRFN DGTDEKKKLY DATA SEQUENCE CIYVAIGQKR STVAQLVKRL TDADAMKYTI VVSATASDAA PLQYLAPYSG DATA SEQUENCE CSMGEYFRDN GKHALIIYDD LSKQAVAYRQ MSLLLRRPPG REAYPGDVFY DATA SEQUENCE LHSRLLERAA KMNDAFGGGS LTALPVIETQ AGDVSAYIPT NVISITDGQI DATA SEQUENCE FLETELFYKG IRPAINVGLS VSRVGSAAQT RAMKQVAGTM KLELAQYREV DATA SEQUENCE AAFAQFGSDL DAATQQLLSR GVRLTELLKQ GQYSPMAIEE QVAVIYAGVR DATA SEQUENCE GYLDKLEPSK ITKFENAFLS HVISQHQALL GKIRTDGKIS EESDAKLKEI DATA SEQUENCE VTNFLAGFEA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 Q HA 0.000 nan 4.340 nan 0.000 0.214 1 Q C 0.000 175.998 176.000 -0.003 0.000 1.003 1 Q CA 0.000 55.801 55.803 -0.003 0.000 1.022 1 Q CB 0.000 28.736 28.738 -0.003 0.000 1.108 2 K N -0.810 119.589 120.400 -0.002 0.000 4.998 2 K HA -0.283 4.037 4.320 -0.000 0.000 0.444 2 K C 1.279 177.878 176.600 -0.002 0.000 0.393 2 K CA 2.230 58.516 56.287 -0.002 0.000 1.908 2 K CB -1.875 30.624 32.500 -0.002 0.000 0.757 2 K HN 0.539 nan 8.250 nan 0.000 0.588 3 T N -1.728 112.824 114.554 -0.003 0.000 5.474 3 T HA 0.359 4.708 4.350 -0.000 0.000 0.228 3 T C 0.889 175.587 174.700 -0.003 0.000 0.839 3 T CA 0.804 62.902 62.100 -0.004 0.000 1.834 3 T CB -0.043 68.821 68.868 -0.006 0.000 1.181 3 T HN 0.903 nan 8.240 nan 0.000 0.263 4 G N -0.022 108.776 108.800 -0.004 0.000 2.351 4 G HA2 0.430 4.390 3.960 -0.000 0.000 0.296 4 G HA3 0.430 4.390 3.960 -0.000 0.000 0.296 4 G C -0.474 174.423 174.900 -0.005 0.000 1.685 4 G CA -0.391 44.709 45.100 -0.001 0.000 0.936 4 G HN 0.779 nan 8.290 nan 0.000 0.714 5 T N 0.792 115.347 114.554 0.001 0.000 2.680 5 T HA 0.534 4.883 4.350 -0.000 0.000 0.314 5 T C 1.930 176.621 174.700 -0.016 0.000 1.045 5 T CA 1.416 63.516 62.100 -0.001 0.000 1.025 5 T CB 1.029 69.907 68.868 0.016 0.000 1.000 5 T HN 2.547 nan 8.240 nan 0.000 0.535 6 A N -0.117 122.679 122.820 -0.041 0.000 2.066 6 A HA -0.298 4.021 4.320 -0.000 0.000 0.231 6 A C 0.865 178.366 177.584 -0.138 0.000 0.465 6 A CA 1.683 53.638 52.037 -0.136 0.000 1.110 6 A CB -2.235 16.692 19.000 -0.122 0.000 1.434 6 A HN 0.908 nan 8.150 nan 0.000 0.706 7 E N 0.157 120.312 120.200 -0.076 0.000 1.896 7 E HA 0.375 4.725 4.350 -0.000 0.000 0.276 7 E C -0.716 175.856 176.600 -0.047 0.000 1.171 7 E CA 0.708 57.073 56.400 -0.057 0.000 1.118 7 E CB -0.241 29.440 29.700 -0.031 0.000 1.077 7 E HN 1.080 nan 8.360 nan 0.000 0.452 8 V N 2.895 122.774 119.914 -0.058 0.000 2.881 8 V HA 0.021 4.141 4.120 -0.000 0.000 0.275 8 V C 0.424 176.493 176.094 -0.042 0.000 1.518 8 V CA 0.230 62.506 62.300 -0.041 0.000 0.936 8 V CB 1.372 33.178 31.823 -0.029 0.000 1.165 8 V HN 0.714 nan 8.190 nan 0.000 0.447 9 S N 3.860 119.541 115.700 -0.032 0.000 4.157 9 S HA -0.334 4.136 4.470 -0.000 0.000 0.538 9 S C 1.863 176.445 174.600 -0.029 0.000 1.717 9 S CA 3.149 61.334 58.200 -0.025 0.000 4.089 9 S CB -1.484 61.705 63.200 -0.018 0.000 1.082 9 S HN 1.976 nan 8.310 nan 0.000 0.457 10 S N 1.432 117.117 115.700 -0.026 0.000 2.444 10 S HA -0.261 4.209 4.470 -0.000 0.000 0.274 10 S C 1.737 176.314 174.600 -0.038 0.000 1.130 10 S CA 2.276 60.461 58.200 -0.024 0.000 1.243 10 S CB -0.727 62.460 63.200 -0.021 0.000 1.166 10 S HN 0.535 nan 8.310 nan 0.000 0.439 11 I N 0.661 121.189 120.570 -0.070 0.000 2.333 11 I HA 0.027 4.197 4.170 -0.000 0.000 0.246 11 I C 2.289 178.359 176.117 -0.079 0.000 1.106 11 I CA 0.790 62.023 61.300 -0.111 0.000 1.411 11 I CB -1.329 36.532 38.000 -0.232 0.000 1.082 11 I HN 0.243 nan 8.210 nan 0.000 0.420 12 L N 0.689 121.874 121.223 -0.064 0.000 1.961 12 L HA -0.257 4.082 4.340 -0.000 0.000 0.210 12 L C 2.595 179.449 176.870 -0.027 0.000 1.072 12 L CA 1.709 56.523 54.840 -0.044 0.000 0.749 12 L CB -0.516 41.522 42.059 -0.035 0.000 0.889 12 L HN 0.299 nan 8.230 nan 0.000 0.432 13 E N 0.576 120.763 120.200 -0.021 0.000 2.239 13 E HA -0.367 3.983 4.350 -0.000 0.000 0.240 13 E C 1.573 178.167 176.600 -0.010 0.000 1.079 13 E CA 2.711 59.103 56.400 -0.013 0.000 0.991 13 E CB -0.361 29.332 29.700 -0.011 0.000 0.863 13 E HN 0.670 nan 8.360 nan 0.000 0.491 14 E N -0.533 119.661 120.200 -0.010 0.000 2.515 14 E HA -0.103 4.247 4.350 -0.000 0.000 0.201 14 E C 1.852 178.453 176.600 0.002 0.000 1.071 14 E CA 0.145 56.544 56.400 -0.002 0.000 0.880 14 E CB -0.024 29.678 29.700 0.003 0.000 0.828 14 E HN 0.134 nan 8.360 nan 0.000 0.540 15 R N 0.357 120.856 120.500 -0.002 0.000 2.297 15 R HA 0.196 4.536 4.340 -0.000 0.000 0.197 15 R C 1.589 177.890 176.300 0.003 0.000 0.943 15 R CA 0.178 56.280 56.100 0.004 0.000 1.038 15 R CB 0.077 30.377 30.300 0.000 0.000 0.957 15 R HN 0.309 nan 8.270 nan 0.000 0.484 16 I N -0.119 120.450 120.570 -0.000 0.000 2.499 16 I HA -0.131 4.039 4.170 -0.000 0.000 0.243 16 I C 2.001 178.119 176.117 0.002 0.000 1.085 16 I CA 0.499 61.799 61.300 -0.000 0.000 1.422 16 I CB -0.248 37.750 38.000 -0.002 0.000 1.165 16 I HN -0.080 nan 8.210 nan 0.000 0.440 17 L N 0.873 122.097 121.223 0.001 0.000 1.956 17 L HA -0.042 4.298 4.340 -0.000 0.000 0.216 17 L C 0.935 177.807 176.870 0.004 0.000 1.073 17 L CA 1.269 56.110 54.840 0.002 0.000 0.762 17 L CB -1.385 40.676 42.059 0.003 0.000 0.889 17 L HN 0.467 nan 8.230 nan 0.000 0.433 18 G N -0.240 108.564 108.800 0.006 0.000 2.421 18 G HA2 0.308 4.268 3.960 -0.000 0.000 0.360 18 G HA3 0.308 4.268 3.960 -0.000 0.000 0.360 18 G C -0.726 174.180 174.900 0.009 0.000 1.219 18 G CA -0.500 44.605 45.100 0.008 0.000 1.257 18 G HN 0.521 nan 8.290 nan 0.000 0.609 19 A N 1.711 124.539 122.820 0.013 0.000 2.301 19 A HA 0.822 5.142 4.320 -0.000 0.000 0.312 19 A C -0.009 177.584 177.584 0.016 0.000 1.182 19 A CA -0.575 51.472 52.037 0.016 0.000 0.826 19 A CB 0.950 19.963 19.000 0.022 0.000 1.134 19 A HN 0.403 nan 8.150 nan 0.000 0.501 20 D N 2.516 122.924 120.400 0.013 0.000 2.879 20 D HA 0.105 4.745 4.640 -0.000 0.000 0.351 20 D C -0.187 176.117 176.300 0.007 0.000 1.239 20 D CA 0.028 54.034 54.000 0.009 0.000 0.771 20 D CB 0.559 41.363 40.800 0.006 0.000 1.176 20 D HN 0.572 nan 8.370 nan 0.000 0.496 21 T N -1.443 113.117 114.554 0.009 0.000 3.474 21 T HA 0.183 4.533 4.350 -0.000 0.000 0.270 21 T C 1.460 176.160 174.700 -0.000 0.000 1.079 21 T CA -0.317 61.787 62.100 0.006 0.000 1.110 21 T CB 0.553 69.427 68.868 0.009 0.000 1.087 21 T HN -0.032 nan 8.240 nan 0.000 0.784 22 S N 1.997 117.696 115.700 -0.002 0.000 2.231 22 S HA -0.248 4.222 4.470 -0.000 0.000 0.510 22 S C 1.176 175.771 174.600 -0.010 0.000 0.966 22 S CA 1.812 60.009 58.200 -0.005 0.000 3.134 22 S CB -1.443 61.753 63.200 -0.006 0.000 2.216 22 S HN 0.754 nan 8.310 nan 0.000 0.542 23 V N 4.190 124.095 119.914 -0.015 0.000 2.500 23 V HA -0.070 4.050 4.120 -0.000 0.000 0.267 23 V C 1.046 177.125 176.094 -0.026 0.000 0.977 23 V CA 0.649 62.935 62.300 -0.023 0.000 1.151 23 V CB -0.399 31.406 31.823 -0.029 0.000 1.013 23 V HN 0.446 nan 8.190 nan 0.000 0.467 24 D N 5.515 125.901 120.400 -0.024 0.000 2.621 24 D HA -0.034 4.606 4.640 -0.000 0.000 0.261 24 D C 1.247 177.517 176.300 -0.049 0.000 1.324 24 D CA 0.350 54.335 54.000 -0.025 0.000 0.965 24 D CB -0.046 40.742 40.800 -0.019 0.000 1.061 24 D HN 0.706 nan 8.370 nan 0.000 0.471 25 L N -1.271 119.916 121.223 -0.060 0.000 4.937 25 L HA -0.310 4.030 4.340 -0.000 0.000 0.422 25 L C 1.748 178.556 176.870 -0.103 0.000 1.059 25 L CA 0.774 55.552 54.840 -0.103 0.000 1.111 25 L CB -1.373 40.578 42.059 -0.180 0.000 2.033 25 L HN 0.172 nan 8.230 nan 0.000 0.708 26 E N 0.557 120.714 120.200 -0.071 0.000 2.028 26 E HA -0.164 4.186 4.350 -0.000 0.000 0.191 26 E C 1.402 177.966 176.600 -0.061 0.000 0.988 26 E CA 1.561 57.924 56.400 -0.061 0.000 0.799 26 E CB -0.051 29.624 29.700 -0.043 0.000 0.755 26 E HN 0.542 nan 8.360 nan 0.000 0.447 27 E N 0.351 120.518 120.200 -0.055 0.000 2.447 27 E HA 0.032 4.382 4.350 -0.000 0.000 0.195 27 E C 0.964 177.524 176.600 -0.066 0.000 1.028 27 E CA 0.437 56.804 56.400 -0.054 0.000 0.876 27 E CB 0.702 30.377 29.700 -0.043 0.000 0.885 27 E HN 0.269 nan 8.360 nan 0.000 0.500 28 T N -2.532 111.979 114.554 -0.072 0.000 2.754 28 T HA 0.737 5.087 4.350 -0.000 0.000 0.296 28 T C -0.110 174.534 174.700 -0.093 0.000 1.205 28 T CA -0.267 61.784 62.100 -0.081 0.000 1.009 28 T CB 2.187 71.018 68.868 -0.063 0.000 1.368 28 T HN 0.029 nan 8.240 nan 0.000 0.509 29 G N 0.188 108.935 108.800 -0.088 0.000 2.600 29 G HA2 0.703 4.663 3.960 -0.000 0.000 0.293 29 G HA3 0.703 4.663 3.960 -0.000 0.000 0.293 29 G C -1.836 173.047 174.900 -0.029 0.000 1.408 29 G CA -1.183 43.872 45.100 -0.076 0.000 0.782 29 G HN 0.969 nan 8.290 nan 0.000 0.482 30 R N -1.027 119.490 120.500 0.029 0.000 2.744 30 R HA 0.680 5.020 4.340 -0.000 0.000 0.279 30 R C -1.095 175.257 176.300 0.088 0.000 0.977 30 R CA -0.906 55.228 56.100 0.056 0.000 0.906 30 R CB 2.137 32.476 30.300 0.065 0.000 1.197 30 R HN 0.300 nan 8.270 nan 0.000 0.463 31 V N 4.328 124.302 119.914 0.101 0.000 2.420 31 V HA -0.042 4.078 4.120 -0.000 0.000 0.274 31 V C 1.467 177.616 176.094 0.092 0.000 1.003 31 V CA 0.340 62.715 62.300 0.125 0.000 1.092 31 V CB -0.049 31.873 31.823 0.166 0.000 1.002 31 V HN 0.721 nan 8.190 nan 0.000 0.473 32 L N 4.015 125.290 121.223 0.087 0.000 2.217 32 L HA 0.064 4.404 4.340 -0.000 0.000 0.211 32 L C 0.932 177.829 176.870 0.045 0.000 1.107 32 L CA 0.957 55.831 54.840 0.057 0.000 0.783 32 L CB -0.053 42.037 42.059 0.052 0.000 0.919 32 L HN 0.897 nan 8.230 nan 0.000 0.442 33 S N -0.935 114.798 115.700 0.055 0.000 2.597 33 S HA 0.562 5.032 4.470 -0.000 0.000 0.274 33 S C -1.114 173.513 174.600 0.045 0.000 1.132 33 S CA -0.977 57.246 58.200 0.039 0.000 0.835 33 S CB 2.135 65.350 63.200 0.026 0.000 1.092 33 S HN 0.053 nan 8.310 nan 0.000 0.457 34 I N -0.468 120.117 120.570 0.024 0.000 2.715 34 I HA 0.827 4.997 4.170 -0.000 0.000 0.288 34 I C -0.640 175.472 176.117 -0.008 0.000 1.371 34 I CA 0.563 61.869 61.300 0.011 0.000 1.056 34 I CB 1.403 39.404 38.000 0.001 0.000 1.339 34 I HN 1.486 nan 8.210 nan 0.000 0.425 35 G N 4.058 112.850 108.800 -0.015 0.000 2.616 35 G HA2 0.447 4.407 3.960 -0.000 0.000 0.294 35 G HA3 0.447 4.407 3.960 -0.000 0.000 0.294 35 G C -1.154 173.729 174.900 -0.028 0.000 1.489 35 G CA -0.320 44.767 45.100 -0.022 0.000 0.836 35 G HN 0.776 nan 8.290 nan 0.000 0.527 36 D N -0.434 119.947 120.400 -0.032 0.000 2.737 36 D HA -0.204 4.436 4.640 -0.000 0.000 0.233 36 D C 1.648 177.922 176.300 -0.043 0.000 1.155 36 D CA 2.739 56.717 54.000 -0.037 0.000 0.667 36 D CB -1.098 39.680 40.800 -0.037 0.000 1.060 36 D HN 2.198 nan 8.370 nan 0.000 0.427 37 G N -1.053 107.720 108.800 -0.045 0.000 2.162 37 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.260 37 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.260 37 G C 0.296 175.178 174.900 -0.030 0.000 0.976 37 G CA 0.408 45.480 45.100 -0.048 0.000 0.655 37 G HN 0.508 nan 8.290 nan 0.000 0.533 38 I N 0.816 121.374 120.570 -0.021 0.000 2.377 38 I HA 0.654 4.824 4.170 -0.000 0.000 0.293 38 I C 0.423 176.559 176.117 0.031 0.000 0.987 38 I CA -0.526 60.778 61.300 0.007 0.000 1.185 38 I CB 1.583 39.579 38.000 -0.005 0.000 1.341 38 I HN 0.329 nan 8.210 nan 0.000 0.455 39 A N 7.446 130.318 122.820 0.087 0.000 2.431 39 A HA 0.542 4.862 4.320 -0.000 0.000 0.318 39 A C -0.103 177.567 177.584 0.143 0.000 1.330 39 A CA -0.786 51.336 52.037 0.141 0.000 0.804 39 A CB 0.517 19.689 19.000 0.287 0.000 1.135 39 A HN 0.587 nan 8.150 nan 0.000 0.483 40 R N 1.149 121.706 120.500 0.096 0.000 2.389 40 R HA 0.449 4.789 4.340 -0.000 0.000 0.295 40 R C -0.804 175.553 176.300 0.094 0.000 1.075 40 R CA -0.106 56.042 56.100 0.080 0.000 1.005 40 R CB 1.186 31.520 30.300 0.056 0.000 0.987 40 R HN 0.373 nan 8.270 nan 0.000 0.452 41 V N 2.998 122.961 119.914 0.083 0.000 2.686 41 V HA 0.112 4.232 4.120 -0.000 0.000 0.306 41 V C -0.573 175.577 176.094 0.092 0.000 1.065 41 V CA -0.920 61.427 62.300 0.079 0.000 0.894 41 V CB 1.945 33.788 31.823 0.032 0.000 1.004 41 V HN 0.727 nan 8.190 nan 0.000 0.424 42 H N 2.910 121.983 119.070 0.006 0.000 2.548 42 H HA 0.693 5.248 4.556 -0.000 0.000 0.331 42 H C 0.548 175.870 175.328 -0.010 0.000 1.093 42 H CA 1.438 57.486 56.048 0.000 0.000 1.367 42 H CB 1.173 30.937 29.762 0.003 0.000 1.455 42 H HN 1.053 nan 8.280 nan 0.000 0.519 43 G N 3.170 111.604 108.800 -0.609 0.000 2.709 43 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.228 43 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.228 43 G C 0.203 174.971 174.900 -0.220 0.000 1.215 43 G CA -0.343 44.479 45.100 -0.463 0.000 1.003 43 G HN 1.024 nan 8.290 nan 0.000 0.584 44 L N 0.335 121.465 121.223 -0.154 0.000 4.044 44 L HA -0.235 4.105 4.340 -0.000 0.000 0.452 44 L C 2.140 178.955 176.870 -0.091 0.000 1.107 44 L CA 0.908 55.683 54.840 -0.108 0.000 0.957 44 L CB -0.706 41.296 42.059 -0.095 0.000 1.850 44 L HN 0.562 nan 8.230 nan 0.000 1.040 45 R N 0.059 120.496 120.500 -0.106 0.000 2.397 45 R HA -0.055 4.285 4.340 -0.000 0.000 0.213 45 R C 1.277 177.546 176.300 -0.052 0.000 1.102 45 R CA 0.688 56.739 56.100 -0.081 0.000 1.040 45 R CB -0.418 29.829 30.300 -0.088 0.000 0.844 45 R HN 0.555 nan 8.270 nan 0.000 0.478 46 N N -0.158 118.512 118.700 -0.051 0.000 2.159 46 N HA 0.008 4.748 4.740 -0.000 0.000 0.217 46 N C -0.098 175.392 175.510 -0.034 0.000 1.223 46 N CA 0.061 53.089 53.050 -0.037 0.000 0.896 46 N CB 1.098 39.564 38.487 -0.035 0.000 1.064 46 N HN -0.079 nan 8.380 nan 0.000 0.518 47 V N 0.525 120.416 119.914 -0.039 0.000 2.872 47 V HA 0.113 4.233 4.120 -0.000 0.000 0.307 47 V C 0.493 176.576 176.094 -0.018 0.000 1.072 47 V CA -0.365 61.915 62.300 -0.032 0.000 1.148 47 V CB 0.369 32.171 31.823 -0.036 0.000 0.954 47 V HN 0.057 nan 8.190 nan 0.000 0.490 48 Q N 2.115 121.907 119.800 -0.012 0.000 2.212 48 Q HA 0.680 5.020 4.340 -0.000 0.000 0.238 48 Q C 0.165 176.169 176.000 0.008 0.000 0.955 48 Q CA -0.502 55.300 55.803 -0.001 0.000 0.906 48 Q CB 1.273 30.011 28.738 0.000 0.000 1.215 48 Q HN 1.088 nan 8.270 nan 0.000 0.478 49 A N 1.471 124.301 122.820 0.016 0.000 2.522 49 A HA 0.068 4.388 4.320 -0.000 0.000 0.256 49 A C 0.099 177.704 177.584 0.035 0.000 1.086 49 A CA 0.342 52.396 52.037 0.028 0.000 0.763 49 A CB -0.436 18.584 19.000 0.034 0.000 1.024 49 A HN 0.958 nan 8.150 nan 0.000 0.502 50 E N -0.401 119.827 120.200 0.046 0.000 3.898 50 E HA -0.192 4.158 4.350 -0.000 0.000 0.328 50 E C 0.237 176.866 176.600 0.048 0.000 0.770 50 E CA 1.170 57.608 56.400 0.063 0.000 1.267 50 E CB -1.456 28.282 29.700 0.065 0.000 1.646 50 E HN 0.977 nan 8.360 nan 0.000 0.420 51 E N 0.382 120.596 120.200 0.023 0.000 2.404 51 E HA 0.115 4.465 4.350 -0.000 0.000 0.261 51 E C -0.072 176.521 176.600 -0.011 0.000 1.074 51 E CA 0.048 56.447 56.400 -0.001 0.000 0.917 51 E CB 0.590 30.280 29.700 -0.016 0.000 0.965 51 E HN 0.011 nan 8.360 nan 0.000 0.433 52 M N 4.182 123.755 119.600 -0.045 0.000 2.157 52 M HA 0.225 4.705 4.480 -0.000 0.000 0.354 52 M C -0.614 175.626 176.300 -0.099 0.000 1.170 52 M CA -0.700 54.545 55.300 -0.092 0.000 1.060 52 M CB 1.091 33.603 32.600 -0.146 0.000 1.615 52 M HN 0.467 nan 8.290 nan 0.000 0.460 53 V N 1.387 121.234 119.914 -0.111 0.000 3.019 53 V HA 0.687 4.807 4.120 -0.000 0.000 0.317 53 V C -0.759 175.245 176.094 -0.151 0.000 1.094 53 V CA -0.892 61.320 62.300 -0.147 0.000 1.000 53 V CB 2.120 33.819 31.823 -0.207 0.000 1.060 53 V HN 0.903 nan 8.190 nan 0.000 0.443 54 E N 0.909 121.009 120.200 -0.166 0.000 2.183 54 E HA 0.563 4.913 4.350 -0.000 0.000 0.271 54 E C -1.612 174.890 176.600 -0.164 0.000 0.919 54 E CA -0.724 55.623 56.400 -0.089 0.000 0.781 54 E CB 1.586 31.259 29.700 -0.045 0.000 1.140 54 E HN 0.625 nan 8.360 nan 0.000 0.402 55 F N 2.070 122.017 119.950 -0.007 0.000 2.375 55 F HA 0.076 4.603 4.527 -0.000 0.000 0.333 55 F C 1.918 177.720 175.800 0.003 0.000 1.104 55 F CA 0.174 58.177 58.000 0.004 0.000 1.149 55 F CB 1.489 40.498 39.000 0.015 0.000 1.190 55 F HN 0.674 nan 8.300 nan 0.000 0.533 56 S N 0.241 116.050 115.700 0.180 0.000 2.378 56 S HA -0.292 4.178 4.470 -0.000 0.000 0.229 56 S C 1.849 176.513 174.600 0.106 0.000 1.052 56 S CA 1.665 59.929 58.200 0.108 0.000 1.084 56 S CB -1.258 62.000 63.200 0.096 0.000 0.950 56 S HN 0.696 nan 8.310 nan 0.000 0.440 57 S N 0.715 116.493 115.700 0.129 0.000 2.723 57 S HA 0.409 4.879 4.470 -0.000 0.000 0.231 57 S C 1.581 176.229 174.600 0.080 0.000 0.967 57 S CA 0.592 58.841 58.200 0.081 0.000 0.958 57 S CB -0.818 62.414 63.200 0.053 0.000 0.778 57 S HN 1.624 nan 8.310 nan 0.000 0.537 58 G N 0.474 109.338 108.800 0.107 0.000 2.241 58 G HA2 -0.239 3.720 3.960 -0.000 0.000 0.244 58 G HA3 -0.239 3.720 3.960 -0.000 0.000 0.244 58 G C 0.057 175.020 174.900 0.105 0.000 0.998 58 G CA 0.051 45.202 45.100 0.085 0.000 0.621 58 G HN 0.517 nan 8.290 nan 0.000 0.519 59 L N 0.566 121.872 121.223 0.138 0.000 2.482 59 L HA 0.317 4.656 4.340 -0.000 0.000 0.273 59 L C 0.652 177.664 176.870 0.238 0.000 1.228 59 L CA 0.055 54.979 54.840 0.140 0.000 0.827 59 L CB 0.368 42.447 42.059 0.032 0.000 1.099 59 L HN -0.004 nan 8.230 nan 0.000 0.494 60 K N 1.079 121.582 120.400 0.171 0.000 2.123 60 K HA 0.650 4.969 4.320 -0.000 0.000 0.259 60 K C -0.167 176.545 176.600 0.186 0.000 0.960 60 K CA -0.366 55.962 56.287 0.068 0.000 0.872 60 K CB 1.854 34.248 32.500 -0.177 0.000 1.079 60 K HN 0.752 nan 8.250 nan 0.000 0.440 61 G N 0.692 109.564 108.800 0.120 0.000 2.690 61 G HA2 0.665 4.625 3.960 -0.000 0.000 0.291 61 G HA3 0.665 4.625 3.960 -0.000 0.000 0.291 61 G C -1.489 173.513 174.900 0.169 0.000 1.403 61 G CA -0.611 44.695 45.100 0.342 0.000 0.864 61 G HN 0.435 nan 8.290 nan 0.000 0.480 62 M N 0.753 120.564 119.600 0.352 0.000 2.395 62 M HA 0.463 4.942 4.480 -0.000 0.000 0.307 62 M C -0.591 175.813 176.300 0.173 0.000 1.091 62 M CA -0.625 54.834 55.300 0.265 0.000 0.919 62 M CB 2.197 35.083 32.600 0.476 0.000 1.662 62 M HN 0.379 nan 8.290 nan 0.000 0.440 63 S N 5.131 120.893 115.700 0.103 0.000 2.955 63 S HA 0.306 4.776 4.470 -0.000 0.000 0.294 63 S C 0.917 175.556 174.600 0.065 0.000 1.198 63 S CA -0.453 57.787 58.200 0.067 0.000 1.008 63 S CB -0.143 63.075 63.200 0.029 0.000 1.279 63 S HN 0.649 nan 8.310 nan 0.000 0.508 64 L N 1.602 122.862 121.223 0.062 0.000 2.168 64 L HA 0.177 4.517 4.340 -0.000 0.000 0.203 64 L C 0.094 176.983 176.870 0.032 0.000 1.078 64 L CA 0.468 55.336 54.840 0.046 0.000 0.780 64 L CB -0.240 41.829 42.059 0.017 0.000 0.939 64 L HN 0.345 nan 8.230 nan 0.000 0.451 65 N N 1.299 120.013 118.700 0.024 0.000 2.437 65 N HA 0.343 5.083 4.740 -0.000 0.000 0.259 65 N C -0.855 174.669 175.510 0.022 0.000 0.983 65 N CA -0.019 53.043 53.050 0.020 0.000 0.937 65 N CB 1.159 39.654 38.487 0.012 0.000 1.122 65 N HN 0.063 nan 8.380 nan 0.000 0.499 66 L N 2.140 123.376 121.223 0.021 0.000 2.315 66 L HA 0.298 4.638 4.340 -0.000 0.000 0.278 66 L C 0.614 177.494 176.870 0.017 0.000 1.088 66 L CA -0.273 54.577 54.840 0.016 0.000 0.899 66 L CB -0.067 42.000 42.059 0.014 0.000 1.277 66 L HN 0.423 nan 8.230 nan 0.000 0.431 67 E N 3.306 123.517 120.200 0.019 0.000 2.351 67 E HA 0.179 4.529 4.350 -0.000 0.000 0.255 67 E C -1.459 175.154 176.600 0.021 0.000 1.188 67 E CA -1.605 54.806 56.400 0.020 0.000 0.940 67 E CB 0.796 30.509 29.700 0.021 0.000 1.094 67 E HN 0.296 nan 8.360 nan 0.000 0.474 68 P HA -0.095 nan 4.420 nan 0.000 0.220 68 P C 0.288 177.609 177.300 0.035 0.000 1.152 68 P CA 1.128 64.242 63.100 0.023 0.000 0.812 68 P CB 0.178 31.890 31.700 0.021 0.000 0.792 69 D N -1.034 119.393 120.400 0.046 0.000 2.440 69 D HA 0.080 4.720 4.640 -0.000 0.000 0.216 69 D C -0.238 176.130 176.300 0.113 0.000 1.150 69 D CA -0.350 53.696 54.000 0.077 0.000 0.832 69 D CB -0.790 40.044 40.800 0.057 0.000 0.992 69 D HN 0.333 nan 8.370 nan 0.000 0.502 70 N N -1.864 116.882 118.700 0.077 0.000 4.059 70 N HA 0.147 4.887 4.740 -0.000 0.000 0.212 70 N C -2.210 173.324 175.510 0.040 0.000 1.159 70 N CA -0.890 52.208 53.050 0.079 0.000 0.967 70 N CB 1.131 39.669 38.487 0.085 0.000 1.589 70 N HN -0.210 nan 8.380 nan 0.000 0.549 71 V N 0.981 120.912 119.914 0.028 0.000 2.432 71 V HA 0.713 4.833 4.120 -0.000 0.000 0.275 71 V C 0.844 176.960 176.094 0.037 0.000 1.043 71 V CA 0.016 62.328 62.300 0.020 0.000 0.925 71 V CB 1.030 32.852 31.823 -0.002 0.000 0.985 71 V HN 0.829 nan 8.190 nan 0.000 0.466 72 G N 4.499 113.321 108.800 0.037 0.000 2.327 72 G HA2 0.528 4.488 3.960 -0.000 0.000 0.302 72 G HA3 0.528 4.488 3.960 -0.000 0.000 0.302 72 G C -0.889 174.047 174.900 0.060 0.000 1.113 72 G CA -0.186 44.941 45.100 0.045 0.000 0.921 72 G HN 0.536 nan 8.290 nan 0.000 0.425 73 V N 3.191 123.162 119.914 0.096 0.000 2.540 73 V HA 0.419 4.539 4.120 -0.000 0.000 0.302 73 V C -0.137 176.056 176.094 0.165 0.000 1.035 73 V CA -0.869 61.518 62.300 0.144 0.000 0.873 73 V CB 1.903 33.843 31.823 0.195 0.000 0.992 73 V HN 0.532 nan 8.190 nan 0.000 0.428 74 V N 6.248 126.262 119.914 0.166 0.000 2.481 74 V HA 0.490 4.609 4.120 -0.000 0.000 0.286 74 V C -0.242 175.986 176.094 0.223 0.000 1.042 74 V CA -0.183 62.190 62.300 0.121 0.000 0.928 74 V CB 2.037 33.876 31.823 0.028 0.000 0.986 74 V HN 0.637 nan 8.190 nan 0.000 0.462 75 V N 7.919 127.909 119.914 0.126 0.000 2.368 75 V HA 0.298 4.418 4.120 -0.000 0.000 0.266 75 V C -0.087 176.107 176.094 0.166 0.000 1.045 75 V CA -0.313 62.072 62.300 0.142 0.000 0.899 75 V CB 0.753 32.541 31.823 -0.059 0.000 1.006 75 V HN 0.755 nan 8.190 nan 0.000 0.470 76 F N 4.808 124.788 119.950 0.050 0.000 2.677 76 F HA 0.551 5.078 4.527 -0.000 0.000 0.358 76 F C 1.197 177.006 175.800 0.016 0.000 1.266 76 F CA 0.414 58.442 58.000 0.047 0.000 1.262 76 F CB -0.349 38.694 39.000 0.071 0.000 1.684 76 F HN 0.703 nan 8.300 nan 0.000 0.671 77 G N 0.831 109.691 108.800 0.100 0.000 2.361 77 G HA2 -0.038 3.922 3.960 -0.000 0.000 0.305 77 G HA3 -0.038 3.922 3.960 -0.000 0.000 0.305 77 G C -1.360 173.536 174.900 -0.007 0.000 1.367 77 G CA -1.386 43.743 45.100 0.049 0.000 0.951 77 G HN 0.235 nan 8.290 nan 0.000 0.615 78 N N 0.077 118.770 118.700 -0.012 0.000 2.407 78 N HA 0.168 4.908 4.740 -0.000 0.000 0.250 78 N C 0.890 176.365 175.510 -0.059 0.000 1.236 78 N CA 0.942 53.974 53.050 -0.030 0.000 0.879 78 N CB 1.069 39.545 38.487 -0.019 0.000 1.088 78 N HN 0.598 nan 8.380 nan 0.000 0.450 79 D N 0.681 121.039 120.400 -0.071 0.000 2.395 79 D HA 0.001 4.641 4.640 -0.000 0.000 0.213 79 D C 1.207 177.458 176.300 -0.082 0.000 1.110 79 D CA -0.083 53.852 54.000 -0.108 0.000 0.835 79 D CB 0.051 40.776 40.800 -0.125 0.000 0.965 79 D HN 0.676 nan 8.370 nan 0.000 0.505 80 K N 1.386 121.755 120.400 -0.053 0.000 2.281 80 K HA -0.135 4.185 4.320 -0.000 0.000 0.203 80 K C 1.311 177.887 176.600 -0.040 0.000 1.046 80 K CA 0.878 57.142 56.287 -0.038 0.000 0.938 80 K CB -0.373 32.113 32.500 -0.024 0.000 0.737 80 K HN 0.281 nan 8.250 nan 0.000 0.458 81 L N 1.049 122.240 121.223 -0.053 0.000 2.599 81 L HA 0.243 4.583 4.340 -0.000 0.000 0.230 81 L C 0.805 177.636 176.870 -0.064 0.000 1.141 81 L CA 0.110 54.923 54.840 -0.046 0.000 0.877 81 L CB -0.313 41.722 42.059 -0.041 0.000 1.009 81 L HN 0.157 nan 8.230 nan 0.000 0.447 82 I N -0.076 120.437 120.570 -0.095 0.000 2.530 82 I HA 0.333 4.503 4.170 -0.000 0.000 0.297 82 I C -0.275 175.822 176.117 -0.034 0.000 1.011 82 I CA -0.488 60.755 61.300 -0.094 0.000 1.107 82 I CB 2.165 40.017 38.000 -0.247 0.000 1.285 82 I HN -0.019 nan 8.210 nan 0.000 0.436 83 K N 3.764 124.171 120.400 0.011 0.000 2.512 83 K HA 0.284 4.604 4.320 -0.000 0.000 0.263 83 K C -0.961 175.666 176.600 0.044 0.000 0.966 83 K CA -0.938 55.361 56.287 0.020 0.000 0.851 83 K CB 2.434 34.944 32.500 0.017 0.000 1.395 83 K HN 0.548 nan 8.250 nan 0.000 0.440 84 E N 0.565 120.786 120.200 0.036 0.000 2.558 84 E HA -0.050 4.300 4.350 -0.000 0.000 0.255 84 E C 0.431 177.059 176.600 0.047 0.000 0.968 84 E CA 1.533 57.959 56.400 0.043 0.000 0.939 84 E CB 0.046 29.763 29.700 0.029 0.000 0.921 84 E HN 0.762 nan 8.360 nan 0.000 0.477 85 G N 4.398 113.234 108.800 0.060 0.000 2.561 85 G HA2 -0.253 3.706 3.960 -0.000 0.000 0.203 85 G HA3 -0.253 3.706 3.960 -0.000 0.000 0.203 85 G C -0.294 174.647 174.900 0.068 0.000 1.101 85 G CA -0.144 44.989 45.100 0.056 0.000 0.711 85 G HN 0.679 nan 8.290 nan 0.000 0.511 86 D N 1.731 122.182 120.400 0.086 0.000 2.795 86 D HA 0.273 4.913 4.640 -0.000 0.000 0.221 86 D C 0.690 177.045 176.300 0.091 0.000 1.108 86 D CA 0.712 54.776 54.000 0.106 0.000 0.832 86 D CB 0.411 41.314 40.800 0.171 0.000 1.183 86 D HN 0.477 nan 8.370 nan 0.000 0.503 87 I N 2.003 122.606 120.570 0.055 0.000 2.441 87 I HA 0.175 4.345 4.170 -0.000 0.000 0.287 87 I C 0.134 176.224 176.117 -0.045 0.000 1.049 87 I CA -0.419 60.886 61.300 0.009 0.000 1.381 87 I CB 0.940 38.941 38.000 0.001 0.000 1.409 87 I HN 0.042 nan 8.210 nan 0.000 0.523 88 V N 6.502 126.345 119.914 -0.118 0.000 2.581 88 V HA 0.564 4.683 4.120 -0.000 0.000 0.303 88 V C -0.209 175.771 176.094 -0.191 0.000 1.041 88 V CA -0.921 61.217 62.300 -0.269 0.000 0.907 88 V CB 1.707 33.280 31.823 -0.415 0.000 0.994 88 V HN 0.762 nan 8.190 nan 0.000 0.442 89 K N 3.838 124.120 120.400 -0.197 0.000 2.507 89 K HA 0.584 4.904 4.320 -0.000 0.000 0.251 89 K C -0.779 175.750 176.600 -0.119 0.000 0.943 89 K CA -0.906 55.305 56.287 -0.126 0.000 0.794 89 K CB 2.284 34.732 32.500 -0.088 0.000 1.188 89 K HN 0.412 nan 8.250 nan 0.000 0.428 90 R N 1.293 121.735 120.500 -0.096 0.000 2.537 90 R HA -0.020 4.320 4.340 -0.000 0.000 0.281 90 R C 0.521 176.781 176.300 -0.067 0.000 0.988 90 R CA 0.746 56.799 56.100 -0.079 0.000 1.077 90 R CB 0.250 30.513 30.300 -0.062 0.000 0.932 90 R HN 0.831 nan 8.270 nan 0.000 0.409 91 T N -0.870 113.645 114.554 -0.065 0.000 3.054 91 T HA 0.167 4.517 4.350 -0.000 0.000 0.255 91 T C 1.197 175.871 174.700 -0.043 0.000 1.035 91 T CA 0.137 62.206 62.100 -0.053 0.000 0.941 91 T CB 0.719 69.553 68.868 -0.056 0.000 1.026 91 T HN 0.794 nan 8.240 nan 0.000 0.533 92 G N 1.627 110.402 108.800 -0.042 0.000 2.198 92 G HA2 -0.048 3.912 3.960 -0.000 0.000 0.260 92 G HA3 -0.048 3.912 3.960 -0.000 0.000 0.260 92 G C 0.226 175.106 174.900 -0.033 0.000 1.025 92 G CA -0.175 44.905 45.100 -0.033 0.000 0.769 92 G HN 1.152 nan 8.290 nan 0.000 0.507 93 A N -0.120 122.676 122.820 -0.041 0.000 2.366 93 A HA 0.683 5.003 4.320 -0.000 0.000 0.272 93 A C 0.547 178.109 177.584 -0.036 0.000 1.135 93 A CA 0.010 52.020 52.037 -0.044 0.000 0.804 93 A CB 0.560 19.522 19.000 -0.063 0.000 1.064 93 A HN 1.565 nan 8.150 nan 0.000 0.499 94 I N 3.411 123.963 120.570 -0.030 0.000 2.336 94 I HA 0.447 4.617 4.170 -0.000 0.000 0.292 94 I C -0.713 175.389 176.117 -0.025 0.000 0.991 94 I CA -0.750 60.538 61.300 -0.021 0.000 1.227 94 I CB 1.373 39.365 38.000 -0.013 0.000 1.366 94 I HN 0.313 nan 8.210 nan 0.000 0.466 95 V N 7.448 127.349 119.914 -0.021 0.000 2.364 95 V HA 0.181 4.301 4.120 -0.000 0.000 0.252 95 V C -0.233 175.860 176.094 -0.002 0.000 1.075 95 V CA -0.209 62.080 62.300 -0.017 0.000 1.033 95 V CB -0.605 31.216 31.823 -0.003 0.000 1.116 95 V HN 0.820 nan 8.190 nan 0.000 0.488 96 D N 3.888 124.286 120.400 -0.002 0.000 2.523 96 D HA 0.720 5.360 4.640 -0.000 0.000 0.236 96 D C -0.442 175.864 176.300 0.011 0.000 1.094 96 D CA -0.726 53.278 54.000 0.007 0.000 0.942 96 D CB 2.388 43.190 40.800 0.003 0.000 1.447 96 D HN 0.368 nan 8.370 nan 0.000 0.479 97 V N -4.477 115.447 119.914 0.017 0.000 3.040 97 V HA 0.736 4.856 4.120 -0.000 0.000 0.312 97 V C -2.923 173.171 176.094 0.001 0.000 1.115 97 V CA -2.566 59.744 62.300 0.017 0.000 0.998 97 V CB 1.636 33.480 31.823 0.035 0.000 1.042 97 V HN 0.420 nan 8.190 nan 0.000 0.433 98 P HA 0.393 nan 4.420 nan 0.000 0.268 98 P C -0.815 176.448 177.300 -0.062 0.000 1.204 98 P CA 0.166 63.244 63.100 -0.037 0.000 0.768 98 P CB 0.896 32.580 31.700 -0.027 0.000 0.842 99 V N 2.433 122.266 119.914 -0.136 0.000 3.007 99 V HA 0.883 5.003 4.120 -0.000 0.000 0.311 99 V C 0.357 176.130 176.094 -0.535 0.000 1.120 99 V CA 0.185 62.335 62.300 -0.250 0.000 0.980 99 V CB 1.719 33.428 31.823 -0.189 0.000 1.033 99 V HN 0.964 nan 8.190 nan 0.000 0.429 100 G N 2.385 110.622 108.800 -0.938 0.000 2.525 100 G HA2 -0.065 3.894 3.960 -0.000 0.000 0.685 100 G HA3 -0.065 3.894 3.960 -0.000 0.000 0.685 100 G C 0.145 174.688 174.900 -0.595 0.000 1.290 100 G CA -0.003 44.294 45.100 -1.339 0.000 0.915 100 G HN 0.728 nan 8.290 nan 0.000 0.548 101 E N 0.525 120.460 120.200 -0.441 0.000 2.265 101 E HA -0.146 4.203 4.350 -0.000 0.000 0.196 101 E C 1.763 178.346 176.600 -0.029 0.000 0.996 101 E CA 1.398 57.715 56.400 -0.139 0.000 0.832 101 E CB -0.107 29.545 29.700 -0.080 0.000 0.756 101 E HN 0.779 nan 8.360 nan 0.000 0.491 102 E N 0.988 121.138 120.200 -0.084 0.000 2.533 102 E HA -0.091 4.259 4.350 -0.000 0.000 0.201 102 E C 1.560 178.158 176.600 -0.004 0.000 1.097 102 E CA 0.461 56.840 56.400 -0.035 0.000 0.887 102 E CB -0.159 29.507 29.700 -0.057 0.000 0.855 102 E HN 0.324 nan 8.360 nan 0.000 0.540 103 L N 0.284 121.520 121.223 0.021 0.000 2.470 103 L HA 0.143 4.483 4.340 -0.000 0.000 0.219 103 L C 1.069 177.985 176.870 0.076 0.000 1.071 103 L CA 0.036 54.903 54.840 0.045 0.000 0.850 103 L CB 0.026 42.116 42.059 0.053 0.000 1.040 103 L HN 0.035 nan 8.230 nan 0.000 0.475 104 L N 0.837 122.134 121.223 0.123 0.000 2.578 104 L HA 0.072 4.412 4.340 -0.000 0.000 0.279 104 L C 1.462 178.380 176.870 0.080 0.000 1.227 104 L CA 0.919 55.839 54.840 0.134 0.000 0.900 104 L CB -0.533 41.660 42.059 0.224 0.000 1.144 104 L HN 0.472 nan 8.230 nan 0.000 0.496 105 G N 1.802 110.627 108.800 0.043 0.000 2.217 105 G HA2 -0.209 3.750 3.960 -0.000 0.000 0.246 105 G HA3 -0.209 3.750 3.960 -0.000 0.000 0.246 105 G C 0.430 175.339 174.900 0.015 0.000 0.990 105 G CA -0.373 44.740 45.100 0.021 0.000 0.627 105 G HN 0.491 nan 8.290 nan 0.000 0.522 106 R N -0.250 120.264 120.500 0.024 0.000 2.549 106 R HA 0.711 5.051 4.340 -0.000 0.000 0.267 106 R C -0.155 176.158 176.300 0.021 0.000 1.045 106 R CA -0.839 55.274 56.100 0.021 0.000 1.115 106 R CB 1.087 31.402 30.300 0.025 0.000 1.121 106 R HN 0.278 nan 8.270 nan 0.000 0.543 107 V N 2.576 122.502 119.914 0.021 0.000 2.357 107 V HA 0.213 4.333 4.120 -0.000 0.000 0.281 107 V C 0.048 176.161 176.094 0.031 0.000 1.015 107 V CA -0.706 61.611 62.300 0.028 0.000 0.827 107 V CB 1.442 33.280 31.823 0.024 0.000 1.018 107 V HN 0.578 nan 8.190 nan 0.000 0.432 108 V N 1.928 121.864 119.914 0.036 0.000 3.234 108 V HA 0.795 4.915 4.120 -0.000 0.000 0.317 108 V C -0.031 176.089 176.094 0.043 0.000 1.081 108 V CA -0.632 61.690 62.300 0.037 0.000 1.037 108 V CB 1.908 33.753 31.823 0.036 0.000 1.148 108 V HN 0.773 nan 8.190 nan 0.000 0.453 109 D N 0.710 121.137 120.400 0.045 0.000 2.437 109 D HA 0.505 5.145 4.640 -0.000 0.000 0.259 109 D C 1.177 177.513 176.300 0.061 0.000 1.118 109 D CA -0.139 53.893 54.000 0.053 0.000 1.017 109 D CB 1.316 42.150 40.800 0.057 0.000 1.120 109 D HN 0.863 nan 8.370 nan 0.000 0.541 110 A N 0.099 122.959 122.820 0.068 0.000 2.067 110 A HA -0.203 4.117 4.320 -0.000 0.000 0.224 110 A C 2.109 179.748 177.584 0.092 0.000 1.172 110 A CA 1.696 53.780 52.037 0.078 0.000 0.662 110 A CB -0.852 18.199 19.000 0.085 0.000 0.814 110 A HN 0.593 nan 8.150 nan 0.000 0.468 111 L N -3.087 118.193 121.223 0.095 0.000 2.590 111 L HA 0.328 4.668 4.340 -0.000 0.000 0.227 111 L C 1.580 178.484 176.870 0.056 0.000 1.099 111 L CA 0.577 55.470 54.840 0.089 0.000 0.872 111 L CB 0.451 42.569 42.059 0.098 0.000 1.088 111 L HN 0.589 nan 8.230 nan 0.000 0.479 112 G N -0.630 108.200 108.800 0.050 0.000 2.205 112 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.180 112 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.180 112 G C -0.202 174.715 174.900 0.028 0.000 1.004 112 G CA -0.612 44.508 45.100 0.035 0.000 0.670 112 G HN 0.233 nan 8.290 nan 0.000 0.496 113 N N 1.481 120.201 118.700 0.033 0.000 2.488 113 N HA 0.568 5.308 4.740 -0.000 0.000 0.274 113 N C 0.691 176.217 175.510 0.026 0.000 1.111 113 N CA 0.592 53.659 53.050 0.027 0.000 0.974 113 N CB 1.445 39.950 38.487 0.031 0.000 1.089 113 N HN 0.749 nan 8.380 nan 0.000 0.465 114 A N 1.995 124.827 122.820 0.020 0.000 2.561 114 A HA 0.158 4.478 4.320 -0.000 0.000 0.234 114 A C 1.246 178.843 177.584 0.022 0.000 1.055 114 A CA 0.223 52.272 52.037 0.020 0.000 0.756 114 A CB -0.417 18.592 19.000 0.014 0.000 0.986 114 A HN 0.872 nan 8.150 nan 0.000 0.505 115 I N -1.575 119.009 120.570 0.023 0.000 4.453 115 I HA 0.196 4.366 4.170 -0.000 0.000 0.342 115 I C 0.256 176.385 176.117 0.019 0.000 1.341 115 I CA 0.161 61.475 61.300 0.023 0.000 1.217 115 I CB 0.372 38.389 38.000 0.028 0.000 1.545 115 I HN 0.474 nan 8.210 nan 0.000 0.557 116 D N 1.875 122.285 120.400 0.017 0.000 2.363 116 D HA 0.084 4.724 4.640 -0.000 0.000 0.220 116 D C 1.598 177.905 176.300 0.010 0.000 0.994 116 D CA 0.843 54.851 54.000 0.013 0.000 0.890 116 D CB -0.199 40.607 40.800 0.011 0.000 0.906 116 D HN 0.521 nan 8.370 nan 0.000 0.530 117 G N 0.805 109.611 108.800 0.011 0.000 2.246 117 G HA2 -0.332 3.627 3.960 -0.000 0.000 0.273 117 G HA3 -0.332 3.627 3.960 -0.000 0.000 0.273 117 G C 0.490 175.395 174.900 0.008 0.000 1.055 117 G CA 0.303 45.408 45.100 0.010 0.000 0.851 117 G HN 0.462 nan 8.290 nan 0.000 0.500 118 K N 0.021 120.426 120.400 0.009 0.000 2.537 118 K HA 0.445 4.765 4.320 -0.000 0.000 0.206 118 K C 1.488 178.093 176.600 0.007 0.000 1.041 118 K CA 0.024 56.315 56.287 0.008 0.000 1.090 118 K CB 0.740 33.245 32.500 0.008 0.000 0.833 118 K HN 1.353 nan 8.250 nan 0.000 0.493 119 G N 2.954 111.758 108.800 0.008 0.000 2.740 119 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.250 119 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.250 119 G C -2.359 172.545 174.900 0.005 0.000 1.358 119 G CA -1.127 43.977 45.100 0.006 0.000 0.897 119 G HN 0.091 nan 8.290 nan 0.000 0.567 120 P HA 0.095 nan 4.420 nan 0.000 0.268 120 P C 0.319 177.619 177.300 -0.001 0.000 1.171 120 P CA 0.447 63.547 63.100 0.001 0.000 0.761 120 P CB 0.164 31.863 31.700 -0.002 0.000 0.786 121 I N 1.335 121.902 120.570 -0.004 0.000 2.339 121 I HA 0.214 4.384 4.170 -0.000 0.000 0.290 121 I C 1.341 177.448 176.117 -0.018 0.000 0.994 121 I CA -0.367 60.928 61.300 -0.008 0.000 1.191 121 I CB 1.129 39.124 38.000 -0.009 0.000 1.343 121 I HN 0.421 nan 8.210 nan 0.000 0.458 122 G N 3.962 112.750 108.800 -0.021 0.000 3.263 122 G HA2 -0.021 3.939 3.960 -0.000 0.000 0.246 122 G HA3 -0.021 3.939 3.960 -0.000 0.000 0.246 122 G C 0.597 175.470 174.900 -0.045 0.000 0.982 122 G CA -0.078 45.005 45.100 -0.028 0.000 1.897 122 G HN 0.633 nan 8.290 nan 0.000 0.624 123 S N 0.227 115.898 115.700 -0.048 0.000 2.465 123 S HA 0.095 4.564 4.470 -0.000 0.000 0.307 123 S C 1.640 176.196 174.600 -0.072 0.000 1.187 123 S CA -0.307 57.850 58.200 -0.072 0.000 1.141 123 S CB 0.197 63.360 63.200 -0.061 0.000 1.108 123 S HN 0.550 nan 8.310 nan 0.000 0.525 124 K N 2.927 123.272 120.400 -0.091 0.000 2.365 124 K HA 0.089 4.409 4.320 -0.000 0.000 0.199 124 K C 0.666 177.223 176.600 -0.073 0.000 1.045 124 K CA 0.723 56.966 56.287 -0.074 0.000 0.962 124 K CB 0.086 32.542 32.500 -0.074 0.000 0.759 124 K HN 0.637 nan 8.250 nan 0.000 0.469 125 A N 1.111 123.871 122.820 -0.101 0.000 2.498 125 A HA 0.619 4.939 4.320 -0.000 0.000 0.298 125 A C -1.023 176.517 177.584 -0.073 0.000 1.075 125 A CA -0.821 51.166 52.037 -0.083 0.000 0.714 125 A CB 1.468 20.408 19.000 -0.101 0.000 1.299 125 A HN 0.037 nan 8.150 nan 0.000 0.407 126 R N 0.308 120.785 120.500 -0.039 0.000 2.740 126 R HA 0.704 5.043 4.340 -0.000 0.000 0.282 126 R C -0.697 175.602 176.300 -0.001 0.000 0.969 126 R CA -0.760 55.326 56.100 -0.024 0.000 0.918 126 R CB 2.563 32.853 30.300 -0.016 0.000 1.175 126 R HN 0.788 nan 8.270 nan 0.000 0.464 127 R N 1.740 122.246 120.500 0.011 0.000 2.673 127 R HA 0.307 4.646 4.340 -0.000 0.000 0.281 127 R C -0.919 175.401 176.300 0.033 0.000 0.991 127 R CA -0.866 55.254 56.100 0.034 0.000 0.896 127 R CB 1.644 31.980 30.300 0.061 0.000 1.201 127 R HN 0.675 nan 8.270 nan 0.000 0.457 128 R N 2.837 123.356 120.500 0.033 0.000 2.389 128 R HA 0.114 4.454 4.340 -0.000 0.000 0.295 128 R C 1.249 177.571 176.300 0.037 0.000 1.075 128 R CA -0.303 55.813 56.100 0.026 0.000 1.005 128 R CB 0.707 31.019 30.300 0.019 0.000 0.987 128 R HN 0.540 nan 8.270 nan 0.000 0.452 129 V N 0.571 120.505 119.914 0.032 0.000 2.720 129 V HA -0.002 4.118 4.120 -0.000 0.000 0.256 129 V C 0.972 177.083 176.094 0.029 0.000 1.082 129 V CA 1.366 63.694 62.300 0.048 0.000 1.101 129 V CB -0.642 31.204 31.823 0.038 0.000 0.693 129 V HN 0.821 nan 8.190 nan 0.000 0.479 130 G N 1.179 109.973 108.800 -0.012 0.000 2.571 130 G HA2 0.617 4.577 3.960 -0.000 0.000 0.327 130 G HA3 0.617 4.577 3.960 -0.000 0.000 0.327 130 G C -0.896 174.007 174.900 0.005 0.000 1.008 130 G CA -0.384 44.693 45.100 -0.037 0.000 1.136 130 G HN 0.366 nan 8.290 nan 0.000 0.444 131 L N 1.551 122.792 121.223 0.030 0.000 2.422 131 L HA 0.436 4.775 4.340 -0.000 0.000 0.264 131 L C 0.065 176.962 176.870 0.044 0.000 0.984 131 L CA -1.094 53.771 54.840 0.041 0.000 0.819 131 L CB 2.855 44.947 42.059 0.054 0.000 1.330 131 L HN 0.376 nan 8.230 nan 0.000 0.410 132 K N 1.300 121.726 120.400 0.043 0.000 2.380 132 K HA 0.442 4.762 4.320 -0.000 0.000 0.267 132 K C -0.048 176.578 176.600 0.043 0.000 0.990 132 K CA -0.287 56.027 56.287 0.045 0.000 0.946 132 K CB 0.803 33.332 32.500 0.048 0.000 0.937 132 K HN 0.611 nan 8.250 nan 0.000 0.491 133 A N 3.110 125.952 122.820 0.037 0.000 2.286 133 A HA 0.372 4.692 4.320 -0.000 0.000 0.286 133 A C -2.211 175.382 177.584 0.016 0.000 1.097 133 A CA -1.531 50.523 52.037 0.027 0.000 0.821 133 A CB -0.193 18.818 19.000 0.019 0.000 1.076 133 A HN 0.452 nan 8.150 nan 0.000 0.490 134 P HA 0.152 nan 4.420 nan 0.000 0.261 134 P C 0.713 177.987 177.300 -0.044 0.000 1.183 134 P CA 0.779 63.855 63.100 -0.039 0.000 0.761 134 P CB 0.424 32.081 31.700 -0.073 0.000 0.785 135 G N 2.603 111.375 108.800 -0.047 0.000 2.468 135 G HA2 0.019 3.979 3.960 -0.000 0.000 0.264 135 G HA3 0.019 3.979 3.960 -0.000 0.000 0.264 135 G C 1.119 175.986 174.900 -0.055 0.000 1.460 135 G CA -0.457 44.623 45.100 -0.034 0.000 1.060 135 G HN 0.329 nan 8.290 nan 0.000 0.543 136 I N 0.134 120.682 120.570 -0.037 0.000 2.163 136 I HA -0.128 4.042 4.170 -0.000 0.000 0.243 136 I C 2.709 178.787 176.117 -0.065 0.000 1.085 136 I CA 1.074 62.351 61.300 -0.039 0.000 1.347 136 I CB -0.760 37.229 38.000 -0.019 0.000 1.044 136 I HN 0.249 nan 8.210 nan 0.000 0.408 137 I N 0.800 121.325 120.570 -0.076 0.000 2.480 137 I HA -0.066 4.104 4.170 -0.000 0.000 0.251 137 I C -0.441 175.565 176.117 -0.186 0.000 1.124 137 I CA 0.802 62.050 61.300 -0.086 0.000 1.444 137 I CB -2.695 35.283 38.000 -0.036 0.000 1.098 137 I HN 0.115 nan 8.210 nan 0.000 0.428 138 P HA -0.083 nan 4.420 nan 0.000 0.234 138 P C 0.252 177.259 177.300 -0.488 0.000 1.162 138 P CA 1.065 63.680 63.100 -0.809 0.000 0.759 138 P CB -0.039 31.132 31.700 -0.881 0.000 0.813 139 R N -0.754 119.601 120.500 -0.240 0.000 2.832 139 R HA 0.644 4.984 4.340 -0.000 0.000 0.271 139 R C -0.777 175.476 176.300 -0.077 0.000 0.996 139 R CA -0.949 55.068 56.100 -0.139 0.000 0.977 139 R CB 1.461 31.701 30.300 -0.100 0.000 1.168 139 R HN -0.135 nan 8.270 nan 0.000 0.482 140 I N -0.005 120.537 120.570 -0.046 0.000 2.769 140 I HA 0.203 4.373 4.170 -0.000 0.000 0.298 140 I C -0.690 175.415 176.117 -0.020 0.000 1.128 140 I CA -0.534 60.752 61.300 -0.023 0.000 1.031 140 I CB 2.460 40.457 38.000 -0.006 0.000 1.235 140 I HN 0.578 nan 8.210 nan 0.000 0.423 141 S N 4.648 120.338 115.700 -0.016 0.000 2.737 141 S HA 0.098 4.568 4.470 -0.000 0.000 0.315 141 S C 0.090 174.678 174.600 -0.020 0.000 1.236 141 S CA -0.473 57.717 58.200 -0.017 0.000 1.093 141 S CB -0.388 62.806 63.200 -0.011 0.000 0.832 141 S HN 0.423 nan 8.310 nan 0.000 0.507 142 V N 5.421 125.319 119.914 -0.027 0.000 2.539 142 V HA -0.034 4.086 4.120 -0.000 0.000 0.300 142 V C 1.399 177.472 176.094 -0.035 0.000 1.019 142 V CA 0.980 63.257 62.300 -0.037 0.000 1.160 142 V CB -0.196 31.601 31.823 -0.044 0.000 0.901 142 V HN 0.888 nan 8.190 nan 0.000 0.481 143 R N 1.928 122.404 120.500 -0.041 0.000 2.725 143 R HA 0.167 4.507 4.340 -0.000 0.000 0.207 143 R C 0.089 176.363 176.300 -0.045 0.000 0.924 143 R CA -0.314 55.766 56.100 -0.034 0.000 1.098 143 R CB 0.689 30.977 30.300 -0.019 0.000 1.602 143 R HN 0.702 nan 8.270 nan 0.000 0.615 144 E N 3.424 123.585 120.200 -0.066 0.000 2.316 144 E HA 0.159 4.509 4.350 -0.000 0.000 0.275 144 E C -2.490 174.045 176.600 -0.108 0.000 1.029 144 E CA -1.980 54.370 56.400 -0.084 0.000 0.871 144 E CB 0.595 30.224 29.700 -0.119 0.000 1.022 144 E HN -0.122 nan 8.360 nan 0.000 0.418 145 P HA -0.068 nan 4.420 nan 0.000 0.265 145 P C -0.508 176.694 177.300 -0.163 0.000 1.193 145 P CA 0.356 63.397 63.100 -0.099 0.000 0.765 145 P CB 0.406 32.069 31.700 -0.062 0.000 0.823 146 M N 4.163 123.670 119.600 -0.154 0.000 2.268 146 M HA 0.130 4.610 4.480 -0.000 0.000 0.340 146 M C -0.617 175.594 176.300 -0.148 0.000 1.099 146 M CA -0.313 54.874 55.300 -0.190 0.000 1.053 146 M CB 0.102 32.607 32.600 -0.159 0.000 1.284 146 M HN 0.338 nan 8.290 nan 0.000 0.410 147 Q N 2.018 121.717 119.800 -0.169 0.000 2.314 147 Q HA 0.218 4.558 4.340 -0.000 0.000 0.257 147 Q C 1.119 177.104 176.000 -0.025 0.000 0.975 147 Q CA -0.110 55.657 55.803 -0.060 0.000 0.933 147 Q CB 0.468 29.222 28.738 0.027 0.000 1.195 147 Q HN 0.701 nan 8.270 nan 0.000 0.426 148 T N -0.685 113.862 114.554 -0.012 0.000 2.951 148 T HA 0.039 4.389 4.350 -0.000 0.000 0.268 148 T C 1.318 176.041 174.700 0.039 0.000 1.073 148 T CA 0.644 62.748 62.100 0.006 0.000 1.134 148 T CB -0.171 68.693 68.868 -0.007 0.000 0.884 148 T HN 0.984 nan 8.240 nan 0.000 0.479 149 G N 1.485 110.313 108.800 0.047 0.000 2.160 149 G HA2 -0.167 3.793 3.960 -0.000 0.000 0.244 149 G HA3 -0.167 3.793 3.960 -0.000 0.000 0.244 149 G C -0.065 174.852 174.900 0.027 0.000 1.022 149 G CA 0.114 45.247 45.100 0.054 0.000 0.741 149 G HN 0.694 nan 8.290 nan 0.000 0.508 150 I N -0.138 120.441 120.570 0.014 0.000 2.362 150 I HA 0.252 4.422 4.170 -0.000 0.000 0.289 150 I C 1.457 177.573 176.117 -0.001 0.000 0.994 150 I CA -0.924 60.376 61.300 0.000 0.000 1.158 150 I CB 1.465 39.459 38.000 -0.009 0.000 1.315 150 I HN -0.025 nan 8.210 nan 0.000 0.451 151 K N 3.911 124.310 120.400 -0.003 0.000 2.044 151 K HA -0.197 4.123 4.320 -0.000 0.000 0.210 151 K C 2.067 178.665 176.600 -0.003 0.000 1.049 151 K CA 1.847 58.134 56.287 -0.001 0.000 0.927 151 K CB -0.027 32.471 32.500 -0.004 0.000 0.713 151 K HN 0.807 nan 8.250 nan 0.000 0.443 152 A N 1.098 123.914 122.820 -0.007 0.000 1.883 152 A HA -0.154 4.166 4.320 -0.000 0.000 0.217 152 A C 2.423 180.007 177.584 -0.001 0.000 1.186 152 A CA 1.793 53.827 52.037 -0.004 0.000 0.624 152 A CB -0.723 18.273 19.000 -0.006 0.000 0.822 152 A HN 0.090 nan 8.150 nan 0.000 0.444 153 V N 0.429 120.340 119.914 -0.006 0.000 2.283 153 V HA -0.178 3.942 4.120 -0.000 0.000 0.243 153 V C 1.899 177.989 176.094 -0.007 0.000 1.039 153 V CA 2.094 64.389 62.300 -0.009 0.000 1.016 153 V CB -0.850 30.963 31.823 -0.016 0.000 0.650 153 V HN 0.457 nan 8.190 nan 0.000 0.449 154 D N 0.278 120.677 120.400 -0.003 0.000 2.348 154 D HA -0.059 4.581 4.640 -0.000 0.000 0.216 154 D C 2.229 178.530 176.300 0.003 0.000 0.970 154 D CA 1.435 55.435 54.000 -0.000 0.000 0.889 154 D CB 0.124 40.929 40.800 0.010 0.000 0.912 154 D HN 0.641 nan 8.370 nan 0.000 0.524 155 S N -1.051 114.652 115.700 0.004 0.000 2.566 155 S HA 0.137 4.607 4.470 -0.000 0.000 0.234 155 S C 1.774 176.377 174.600 0.005 0.000 1.075 155 S CA -0.208 57.996 58.200 0.006 0.000 0.926 155 S CB 0.097 63.301 63.200 0.006 0.000 0.811 155 S HN 0.130 nan 8.310 nan 0.000 0.518 156 L N 1.232 122.458 121.223 0.005 0.000 2.638 156 L HA 0.417 4.757 4.340 -0.000 0.000 0.232 156 L C -0.318 176.558 176.870 0.010 0.000 1.099 156 L CA 0.103 54.949 54.840 0.009 0.000 0.883 156 L CB 1.146 43.214 42.059 0.014 0.000 1.136 156 L HN 0.180 nan 8.230 nan 0.000 0.492 157 V N -0.713 119.202 119.914 0.002 0.000 2.637 157 V HA 0.238 4.358 4.120 -0.000 0.000 0.296 157 V C -2.549 173.535 176.094 -0.017 0.000 1.118 157 V CA -1.203 61.094 62.300 -0.005 0.000 1.230 157 V CB 0.225 32.043 31.823 -0.009 0.000 1.360 157 V HN -0.021 nan 8.190 nan 0.000 0.620 158 P HA 0.139 nan 4.420 nan 0.000 0.263 158 P C -0.297 176.983 177.300 -0.033 0.000 1.175 158 P CA 0.852 63.939 63.100 -0.022 0.000 0.761 158 P CB 0.625 32.315 31.700 -0.017 0.000 0.794 159 I N 2.074 122.617 120.570 -0.044 0.000 2.441 159 I HA 0.534 4.704 4.170 -0.000 0.000 0.295 159 I C 1.063 177.139 176.117 -0.068 0.000 0.994 159 I CA -0.428 60.838 61.300 -0.057 0.000 1.144 159 I CB 2.135 40.096 38.000 -0.065 0.000 1.314 159 I HN 0.335 nan 8.210 nan 0.000 0.445 160 G N 4.443 113.201 108.800 -0.070 0.000 2.601 160 G HA2 0.581 4.541 3.960 -0.000 0.000 0.317 160 G HA3 0.581 4.541 3.960 -0.000 0.000 0.317 160 G C -0.664 174.172 174.900 -0.108 0.000 1.246 160 G CA -0.887 44.162 45.100 -0.085 0.000 1.012 160 G HN 0.524 nan 8.290 nan 0.000 0.494 161 R N -0.432 119.984 120.500 -0.139 0.000 2.265 161 R HA 0.476 4.815 4.340 -0.000 0.000 0.314 161 R C 0.875 177.102 176.300 -0.121 0.000 1.053 161 R CA 0.466 56.463 56.100 -0.173 0.000 0.931 161 R CB 1.173 31.289 30.300 -0.307 0.000 1.024 161 R HN 1.113 nan 8.270 nan 0.000 0.457 162 G N 1.560 110.305 108.800 -0.092 0.000 2.195 162 G HA2 -0.292 3.667 3.960 -0.000 0.000 0.224 162 G HA3 -0.292 3.667 3.960 -0.000 0.000 0.224 162 G C 0.160 175.030 174.900 -0.051 0.000 0.990 162 G CA 0.028 45.093 45.100 -0.058 0.000 0.639 162 G HN 0.592 nan 8.290 nan 0.000 0.514 163 Q N 0.059 119.823 119.800 -0.061 0.000 2.260 163 Q HA 0.694 5.034 4.340 -0.000 0.000 0.238 163 Q C -0.249 175.719 176.000 -0.053 0.000 0.948 163 Q CA -0.691 55.080 55.803 -0.053 0.000 0.895 163 Q CB 0.460 29.164 28.738 -0.057 0.000 1.218 163 Q HN 0.287 nan 8.270 nan 0.000 0.470 164 R N 2.109 122.580 120.500 -0.048 0.000 2.358 164 R HA 0.309 4.649 4.340 -0.000 0.000 0.309 164 R C -1.413 174.850 176.300 -0.062 0.000 1.026 164 R CA -0.598 55.471 56.100 -0.051 0.000 0.909 164 R CB 1.321 31.595 30.300 -0.042 0.000 1.153 164 R HN 0.462 nan 8.270 nan 0.000 0.515 165 E N 2.138 122.294 120.200 -0.074 0.000 2.191 165 E HA 0.399 4.748 4.350 -0.000 0.000 0.278 165 E C -1.322 175.213 176.600 -0.107 0.000 0.972 165 E CA -0.937 55.410 56.400 -0.089 0.000 0.804 165 E CB 1.079 30.727 29.700 -0.085 0.000 1.110 165 E HN 0.366 nan 8.360 nan 0.000 0.394 166 L N 5.445 126.583 121.223 -0.143 0.000 2.287 166 L HA 0.515 4.855 4.340 -0.000 0.000 0.287 166 L C -1.144 175.607 176.870 -0.199 0.000 1.022 166 L CA -0.261 54.482 54.840 -0.162 0.000 0.814 166 L CB 0.900 42.854 42.059 -0.175 0.000 1.217 166 L HN 0.633 nan 8.230 nan 0.000 0.420 167 I N 6.893 127.376 120.570 -0.146 0.000 2.322 167 I HA 0.357 4.526 4.170 -0.000 0.000 0.292 167 I C -0.176 175.865 176.117 -0.126 0.000 1.060 167 I CA 0.355 61.577 61.300 -0.131 0.000 1.309 167 I CB 0.705 38.660 38.000 -0.074 0.000 1.415 167 I HN 0.583 nan 8.210 nan 0.000 0.492 168 I N 5.796 126.271 120.570 -0.159 0.000 2.619 168 I HA 0.875 5.045 4.170 -0.000 0.000 0.292 168 I C -0.429 175.693 176.117 0.008 0.000 1.100 168 I CA -0.026 61.218 61.300 -0.092 0.000 1.043 168 I CB 1.818 39.733 38.000 -0.141 0.000 1.239 168 I HN 0.629 nan 8.210 nan 0.000 0.420 169 G N 4.750 113.583 108.800 0.054 0.000 2.387 169 G HA2 0.207 4.167 3.960 -0.000 0.000 0.294 169 G HA3 0.207 4.167 3.960 -0.000 0.000 0.294 169 G C -1.798 173.137 174.900 0.059 0.000 1.509 169 G CA -0.760 44.391 45.100 0.086 0.000 0.806 169 G HN 0.527 nan 8.290 nan 0.000 0.546 170 D N 0.109 120.543 120.400 0.057 0.000 2.319 170 D HA 0.237 4.877 4.640 -0.000 0.000 0.235 170 D C 1.444 177.753 176.300 0.015 0.000 1.304 170 D CA 0.165 54.187 54.000 0.036 0.000 0.894 170 D CB 0.424 41.243 40.800 0.031 0.000 1.183 170 D HN 0.653 nan 8.370 nan 0.000 0.472 171 R N 0.420 120.925 120.500 0.008 0.000 2.738 171 R HA 0.083 4.423 4.340 -0.000 0.000 0.268 171 R C -0.261 176.014 176.300 -0.041 0.000 1.062 171 R CA -0.388 55.709 56.100 -0.006 0.000 1.158 171 R CB 0.230 30.531 30.300 0.001 0.000 1.046 171 R HN 0.232 nan 8.270 nan 0.000 0.493 172 Q N -0.169 119.597 119.800 -0.057 0.000 2.460 172 Q HA -0.149 4.191 4.340 -0.000 0.000 0.311 172 Q C -0.125 175.742 176.000 -0.221 0.000 1.396 172 Q CA 1.567 57.296 55.803 -0.123 0.000 0.838 172 Q CB -1.888 26.774 28.738 -0.127 0.000 1.140 172 Q HN 1.041 nan 8.270 nan 0.000 0.415 173 T N -5.558 108.920 114.554 -0.128 0.000 3.087 173 T HA 0.467 4.817 4.350 -0.000 0.000 0.283 173 T C 1.019 175.746 174.700 0.045 0.000 0.956 173 T CA 0.703 62.746 62.100 -0.094 0.000 0.894 173 T CB 1.237 70.093 68.868 -0.021 0.000 1.160 173 T HN 0.970 nan 8.240 nan 0.000 0.532 174 G N 1.973 110.787 108.800 0.024 0.000 2.141 174 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.164 174 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.164 174 G C 0.690 175.605 174.900 0.026 0.000 1.009 174 G CA 0.165 45.296 45.100 0.051 0.000 0.677 174 G HN 0.466 nan 8.290 nan 0.000 0.508 175 K N -0.337 120.074 120.400 0.018 0.000 2.026 175 K HA -0.072 4.248 4.320 -0.000 0.000 0.208 175 K C 2.509 179.123 176.600 0.024 0.000 1.048 175 K CA 1.881 58.175 56.287 0.011 0.000 0.929 175 K CB -0.255 32.249 32.500 0.006 0.000 0.713 175 K HN 0.334 nan 8.250 nan 0.000 0.439 176 T N 0.906 115.485 114.554 0.042 0.000 2.812 176 T HA -0.077 4.273 4.350 -0.000 0.000 0.264 176 T C 2.121 176.853 174.700 0.054 0.000 1.042 176 T CA 1.300 63.447 62.100 0.079 0.000 1.140 176 T CB -0.145 68.787 68.868 0.106 0.000 0.870 176 T HN 0.142 nan 8.240 nan 0.000 0.445 177 S N 1.625 117.337 115.700 0.021 0.000 2.359 177 S HA -0.103 4.367 4.470 -0.000 0.000 0.223 177 S C 2.050 176.639 174.600 -0.018 0.000 1.039 177 S CA 0.973 59.161 58.200 -0.021 0.000 1.042 177 S CB -0.526 62.626 63.200 -0.080 0.000 0.915 177 S HN 0.355 nan 8.310 nan 0.000 0.439 178 I N 1.814 122.377 120.570 -0.012 0.000 2.181 178 I HA -0.312 3.858 4.170 -0.000 0.000 0.247 178 I C 2.652 178.770 176.117 0.001 0.000 1.081 178 I CA 1.667 62.960 61.300 -0.012 0.000 1.340 178 I CB -1.374 36.617 38.000 -0.014 0.000 1.036 178 I HN 0.299 nan 8.210 nan 0.000 0.417 179 A N 0.863 123.697 122.820 0.024 0.000 1.855 179 A HA -0.146 4.174 4.320 -0.000 0.000 0.215 179 A C 2.215 179.820 177.584 0.035 0.000 1.191 179 A CA 1.040 53.105 52.037 0.047 0.000 0.613 179 A CB -0.508 18.564 19.000 0.121 0.000 0.829 179 A HN 0.213 nan 8.150 nan 0.000 0.442 180 I N 0.969 121.551 120.570 0.020 0.000 2.052 180 I HA -0.256 3.914 4.170 -0.000 0.000 0.235 180 I C 1.982 178.120 176.117 0.035 0.000 1.046 180 I CA 2.029 63.327 61.300 -0.003 0.000 1.308 180 I CB -1.718 36.308 38.000 0.043 0.000 1.031 180 I HN 0.322 nan 8.210 nan 0.000 0.395 181 D N 0.264 120.693 120.400 0.049 0.000 2.170 181 D HA -0.201 4.439 4.640 -0.000 0.000 0.193 181 D C 2.163 178.494 176.300 0.052 0.000 1.004 181 D CA 1.983 56.017 54.000 0.057 0.000 0.860 181 D CB -0.481 40.328 40.800 0.015 0.000 0.931 181 D HN 0.292 nan 8.370 nan 0.000 0.448 182 T N 0.431 115.004 114.554 0.032 0.000 2.665 182 T HA -0.159 4.191 4.350 -0.000 0.000 0.268 182 T C 2.080 176.811 174.700 0.051 0.000 1.035 182 T CA 0.958 63.076 62.100 0.030 0.000 1.151 182 T CB -0.343 68.528 68.868 0.004 0.000 0.862 182 T HN 0.183 nan 8.240 nan 0.000 0.438 183 I N 0.452 121.048 120.570 0.042 0.000 2.099 183 I HA -0.179 3.991 4.170 -0.000 0.000 0.239 183 I C 2.337 178.539 176.117 0.141 0.000 1.066 183 I CA 1.411 62.744 61.300 0.056 0.000 1.324 183 I CB -0.551 37.428 38.000 -0.036 0.000 1.037 183 I HN 0.215 nan 8.210 nan 0.000 0.401 184 I N 0.962 121.594 120.570 0.102 0.000 2.074 184 I HA -0.430 3.740 4.170 -0.000 0.000 0.238 184 I C 2.403 178.630 176.117 0.184 0.000 1.037 184 I CA 2.179 63.567 61.300 0.147 0.000 1.301 184 I CB -0.669 37.395 38.000 0.108 0.000 1.016 184 I HN 0.364 nan 8.210 nan 0.000 0.400 185 N N 0.402 119.188 118.700 0.143 0.000 2.247 185 N HA -0.264 4.475 4.740 -0.000 0.000 0.189 185 N C 1.752 177.410 175.510 0.246 0.000 1.009 185 N CA 1.372 54.517 53.050 0.160 0.000 0.872 185 N CB -0.087 38.489 38.487 0.148 0.000 0.980 185 N HN 0.226 nan 8.380 nan 0.000 0.436 186 Q N 0.713 120.650 119.800 0.229 0.000 2.234 186 Q HA -0.156 4.184 4.340 -0.000 0.000 0.206 186 Q C 1.816 177.866 176.000 0.083 0.000 0.980 186 Q CA 1.185 57.108 55.803 0.198 0.000 0.869 186 Q CB -0.370 28.472 28.738 0.173 0.000 0.912 186 Q HN 0.634 nan 8.270 nan 0.000 0.436 187 K N 0.924 121.288 120.400 -0.060 0.000 2.009 187 K HA -0.236 4.084 4.320 -0.000 0.000 0.210 187 K C 1.881 178.369 176.600 -0.186 0.000 1.049 187 K CA 1.736 57.821 56.287 -0.337 0.000 0.929 187 K CB -0.436 32.008 32.500 -0.095 0.000 0.714 187 K HN 0.202 nan 8.250 nan 0.000 0.440 188 R N -0.171 120.248 120.500 -0.136 0.000 2.316 188 R HA -0.194 4.146 4.340 -0.000 0.000 0.257 188 R C 1.253 177.321 176.300 -0.387 0.000 1.198 188 R CA 1.958 57.886 56.100 -0.288 0.000 1.026 188 R CB -0.552 29.497 30.300 -0.417 0.000 0.872 188 R HN 0.336 nan 8.270 nan 0.000 0.482 189 F N 0.319 120.171 119.950 -0.164 0.000 2.505 189 F HA 0.217 4.744 4.527 -0.000 0.000 0.289 189 F C 1.837 177.527 175.800 -0.183 0.000 1.101 189 F CA 0.055 57.968 58.000 -0.144 0.000 1.446 189 F CB -0.125 38.798 39.000 -0.129 0.000 1.123 189 F HN -0.036 nan 8.300 nan 0.000 0.564 190 N N -0.084 118.557 118.700 -0.098 0.000 2.409 190 N HA -0.094 4.646 4.740 -0.000 0.000 0.179 190 N C 0.748 176.159 175.510 -0.166 0.000 1.032 190 N CA 0.992 53.902 53.050 -0.233 0.000 0.898 190 N CB -0.230 37.936 38.487 -0.535 0.000 0.971 190 N HN 0.264 nan 8.380 nan 0.000 0.441 191 D N -0.234 120.076 120.400 -0.149 0.000 2.349 191 D HA 0.119 4.759 4.640 -0.000 0.000 0.214 191 D C 1.217 177.471 176.300 -0.076 0.000 1.063 191 D CA 0.076 54.018 54.000 -0.098 0.000 0.847 191 D CB 0.571 41.314 40.800 -0.095 0.000 0.933 191 D HN 0.142 nan 8.370 nan 0.000 0.513 192 G N 0.446 109.200 108.800 -0.077 0.000 2.582 192 G HA2 0.203 4.163 3.960 -0.000 0.000 0.232 192 G HA3 0.203 4.163 3.960 -0.000 0.000 0.232 192 G C 0.987 175.870 174.900 -0.030 0.000 1.458 192 G CA 0.437 45.500 45.100 -0.062 0.000 1.062 192 G HN 0.134 nan 8.290 nan 0.000 0.566 193 T N -2.932 111.611 114.554 -0.019 0.000 3.044 193 T HA 0.178 4.528 4.350 -0.000 0.000 0.260 193 T C -0.035 174.671 174.700 0.009 0.000 1.019 193 T CA 0.079 62.175 62.100 -0.006 0.000 0.921 193 T CB 0.437 69.299 68.868 -0.010 0.000 1.053 193 T HN 0.248 nan 8.240 nan 0.000 0.533 194 D N 1.553 121.965 120.400 0.020 0.000 2.317 194 D HA 0.240 4.880 4.640 -0.000 0.000 0.234 194 D C 0.878 177.208 176.300 0.050 0.000 1.112 194 D CA -0.359 53.664 54.000 0.039 0.000 0.840 194 D CB 1.434 42.267 40.800 0.056 0.000 1.078 194 D HN -0.006 nan 8.370 nan 0.000 0.486 195 E N 2.908 123.133 120.200 0.042 0.000 2.112 195 E HA -0.132 4.218 4.350 -0.000 0.000 0.190 195 E C 1.461 178.093 176.600 0.053 0.000 0.979 195 E CA 0.434 56.861 56.400 0.045 0.000 0.814 195 E CB 0.062 29.783 29.700 0.035 0.000 0.762 195 E HN 0.552 nan 8.360 nan 0.000 0.460 196 K N 1.250 121.685 120.400 0.059 0.000 2.286 196 K HA -0.158 4.161 4.320 -0.000 0.000 0.203 196 K C 1.322 178.012 176.600 0.149 0.000 1.045 196 K CA 1.172 57.516 56.287 0.096 0.000 0.935 196 K CB 0.115 32.665 32.500 0.083 0.000 0.737 196 K HN -0.076 nan 8.250 nan 0.000 0.460 197 K N 0.280 120.750 120.400 0.115 0.000 2.373 197 K HA 0.110 4.429 4.320 -0.000 0.000 0.202 197 K C -0.302 176.321 176.600 0.038 0.000 1.025 197 K CA -0.138 56.207 56.287 0.096 0.000 1.115 197 K CB 0.768 33.398 32.500 0.217 0.000 0.858 197 K HN 0.026 nan 8.250 nan 0.000 0.525 198 K N 1.049 121.473 120.400 0.039 0.000 2.126 198 K HA 0.306 4.626 4.320 -0.000 0.000 0.257 198 K C -0.752 175.777 176.600 -0.117 0.000 1.007 198 K CA -0.562 55.680 56.287 -0.074 0.000 0.928 198 K CB 0.926 33.342 32.500 -0.140 0.000 1.013 198 K HN -0.154 nan 8.250 nan 0.000 0.473 199 L N 2.291 123.363 121.223 -0.251 0.000 2.476 199 L HA 0.311 4.651 4.340 -0.000 0.000 0.269 199 L C -1.793 174.952 176.870 -0.208 0.000 0.965 199 L CA -0.417 54.329 54.840 -0.157 0.000 0.845 199 L CB 1.099 43.062 42.059 -0.159 0.000 1.259 199 L HN 0.448 nan 8.230 nan 0.000 0.403 200 Y N 3.209 123.492 120.300 -0.029 0.000 2.323 200 Y HA 0.489 5.039 4.550 -0.000 0.000 0.331 200 Y C 0.129 175.911 175.900 -0.196 0.000 1.092 200 Y CA -0.304 57.727 58.100 -0.116 0.000 1.150 200 Y CB 1.298 39.482 38.460 -0.460 0.000 1.200 200 Y HN 0.484 nan 8.280 nan 0.000 0.472 201 C N 5.466 124.775 119.300 0.015 0.000 2.281 201 C HA 0.552 5.012 4.460 -0.000 0.000 0.323 201 C C -0.097 174.848 174.990 -0.076 0.000 1.270 201 C CA -1.136 57.852 59.018 -0.050 0.000 1.559 201 C CB -1.315 26.402 27.740 -0.037 0.000 2.239 201 C HN 0.562 nan 8.230 nan 0.000 0.488 202 I N 3.499 124.009 120.570 -0.101 0.000 2.315 202 I HA 0.237 4.406 4.170 -0.000 0.000 0.291 202 I C -0.253 175.833 176.117 -0.050 0.000 1.006 202 I CA -0.166 61.093 61.300 -0.068 0.000 1.265 202 I CB 0.187 38.133 38.000 -0.090 0.000 1.387 202 I HN 0.633 nan 8.210 nan 0.000 0.475 203 Y N 7.043 127.271 120.300 -0.119 0.000 2.478 203 Y HA 0.592 5.142 4.550 -0.000 0.000 0.329 203 Y C -0.751 175.103 175.900 -0.076 0.000 0.967 203 Y CA -0.964 57.067 58.100 -0.114 0.000 1.255 203 Y CB 0.916 39.322 38.460 -0.089 0.000 1.103 203 Y HN 0.318 nan 8.280 nan 0.000 0.497 204 V N 6.427 126.072 119.914 -0.448 0.000 2.372 204 V HA 0.464 4.584 4.120 -0.000 0.000 0.261 204 V C 0.436 176.270 176.094 -0.433 0.000 1.055 204 V CA -0.403 61.718 62.300 -0.299 0.000 0.930 204 V CB 0.252 32.006 31.823 -0.116 0.000 1.031 204 V HN 0.911 nan 8.190 nan 0.000 0.479 205 A N 7.250 129.924 122.820 -0.244 0.000 2.310 205 A HA 0.730 5.050 4.320 -0.000 0.000 0.300 205 A C -0.339 177.218 177.584 -0.045 0.000 1.269 205 A CA -0.222 51.742 52.037 -0.122 0.000 0.909 205 A CB -0.209 18.851 19.000 0.098 0.000 1.144 205 A HN 0.799 nan 8.150 nan 0.000 0.540 206 I N 2.206 122.748 120.570 -0.046 0.000 2.362 206 I HA 0.529 4.698 4.170 -0.000 0.000 0.289 206 I C 1.212 177.338 176.117 0.015 0.000 0.994 206 I CA 0.330 61.627 61.300 -0.005 0.000 1.158 206 I CB 1.760 39.757 38.000 -0.004 0.000 1.315 206 I HN 0.934 nan 8.210 nan 0.000 0.451 207 G N 3.915 112.731 108.800 0.027 0.000 2.179 207 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.260 207 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.260 207 G C 0.129 175.049 174.900 0.033 0.000 0.977 207 G CA 0.028 45.147 45.100 0.032 0.000 0.641 207 G HN 0.650 nan 8.290 nan 0.000 0.533 208 Q N 0.380 120.203 119.800 0.038 0.000 2.256 208 Q HA 0.586 4.926 4.340 -0.000 0.000 0.232 208 Q C 0.472 176.496 176.000 0.041 0.000 0.965 208 Q CA -0.548 55.281 55.803 0.044 0.000 0.908 208 Q CB 0.900 29.675 28.738 0.061 0.000 1.209 208 Q HN 0.578 nan 8.270 nan 0.000 0.489 209 K N 0.266 120.689 120.400 0.038 0.000 2.202 209 K HA 0.198 4.518 4.320 -0.000 0.000 0.264 209 K C 0.365 176.986 176.600 0.036 0.000 1.010 209 K CA -0.539 55.768 56.287 0.033 0.000 0.940 209 K CB 1.207 33.724 32.500 0.028 0.000 0.983 209 K HN 0.500 nan 8.250 nan 0.000 0.475 210 R N 0.807 121.326 120.500 0.031 0.000 2.073 210 R HA -0.117 4.223 4.340 -0.000 0.000 0.234 210 R C 2.112 178.428 176.300 0.026 0.000 1.134 210 R CA 2.176 58.294 56.100 0.030 0.000 0.952 210 R CB -0.412 29.903 30.300 0.025 0.000 0.850 210 R HN 0.825 nan 8.270 nan 0.000 0.433 211 S N -0.219 115.495 115.700 0.022 0.000 2.461 211 S HA -0.186 4.284 4.470 -0.000 0.000 0.246 211 S C 1.541 176.154 174.600 0.021 0.000 1.007 211 S CA 1.774 59.985 58.200 0.019 0.000 0.976 211 S CB -0.313 62.898 63.200 0.018 0.000 0.763 211 S HN 0.394 nan 8.310 nan 0.000 0.508 212 T N 1.432 116.003 114.554 0.029 0.000 2.980 212 T HA 0.101 4.451 4.350 -0.000 0.000 0.239 212 T C 2.023 176.744 174.700 0.035 0.000 1.011 212 T CA 0.688 62.809 62.100 0.034 0.000 1.171 212 T CB -0.357 68.538 68.868 0.046 0.000 0.873 212 T HN 0.224 nan 8.240 nan 0.000 0.431 213 V N 2.469 122.413 119.914 0.050 0.000 2.380 213 V HA -0.201 3.919 4.120 -0.000 0.000 0.251 213 V C 2.829 178.936 176.094 0.021 0.000 1.063 213 V CA 1.812 64.147 62.300 0.059 0.000 1.055 213 V CB -1.402 30.468 31.823 0.078 0.000 0.657 213 V HN 0.519 nan 8.190 nan 0.000 0.455 214 A N -0.588 122.241 122.820 0.016 0.000 1.829 214 A HA -0.283 4.037 4.320 -0.000 0.000 0.216 214 A C 2.171 179.747 177.584 -0.015 0.000 1.207 214 A CA 1.982 54.019 52.037 0.001 0.000 0.622 214 A CB -0.838 18.165 19.000 0.005 0.000 0.846 214 A HN 0.468 nan 8.150 nan 0.000 0.447 215 Q N -0.715 119.080 119.800 -0.009 0.000 2.124 215 Q HA -0.259 4.080 4.340 -0.000 0.000 0.215 215 Q C 2.105 178.080 176.000 -0.042 0.000 1.015 215 Q CA 1.875 57.667 55.803 -0.019 0.000 0.890 215 Q CB -0.861 27.876 28.738 -0.002 0.000 0.966 215 Q HN 0.657 nan 8.270 nan 0.000 0.412 216 L N 0.664 121.860 121.223 -0.044 0.000 1.990 216 L HA -0.187 4.153 4.340 -0.000 0.000 0.213 216 L C 2.513 179.308 176.870 -0.126 0.000 1.072 216 L CA 2.416 57.199 54.840 -0.095 0.000 0.755 216 L CB -0.922 41.066 42.059 -0.118 0.000 0.889 216 L HN 0.312 nan 8.230 nan 0.000 0.432 217 V N -1.621 118.235 119.914 -0.097 0.000 2.626 217 V HA -0.236 3.884 4.120 -0.000 0.000 0.252 217 V C 2.578 178.621 176.094 -0.085 0.000 1.067 217 V CA 1.938 64.181 62.300 -0.095 0.000 1.081 217 V CB -0.803 30.986 31.823 -0.057 0.000 0.686 217 V HN 0.471 nan 8.190 nan 0.000 0.468 218 K N 1.418 121.774 120.400 -0.073 0.000 2.026 218 K HA -0.180 4.140 4.320 -0.000 0.000 0.208 218 K C 2.340 178.879 176.600 -0.102 0.000 1.048 218 K CA 2.052 58.296 56.287 -0.072 0.000 0.929 218 K CB -0.508 31.957 32.500 -0.058 0.000 0.713 218 K HN 0.423 nan 8.250 nan 0.000 0.439 219 R N 0.621 121.044 120.500 -0.128 0.000 2.081 219 R HA 0.034 4.374 4.340 -0.000 0.000 0.235 219 R C 2.069 178.268 176.300 -0.168 0.000 1.131 219 R CA 1.624 57.610 56.100 -0.189 0.000 0.960 219 R CB -0.794 29.368 30.300 -0.230 0.000 0.856 219 R HN 0.358 nan 8.270 nan 0.000 0.436 220 L N -0.276 120.857 121.223 -0.149 0.000 2.275 220 L HA -0.102 4.238 4.340 -0.000 0.000 0.215 220 L C 2.010 178.810 176.870 -0.118 0.000 1.119 220 L CA 1.618 56.371 54.840 -0.145 0.000 0.790 220 L CB -0.300 41.649 42.059 -0.183 0.000 0.919 220 L HN 0.257 nan 8.230 nan 0.000 0.443 221 T N -1.371 113.124 114.554 -0.099 0.000 2.809 221 T HA -0.125 4.224 4.350 -0.000 0.000 0.260 221 T C 1.341 176.006 174.700 -0.058 0.000 1.039 221 T CA 1.138 63.197 62.100 -0.068 0.000 1.141 221 T CB -0.148 68.686 68.868 -0.055 0.000 0.869 221 T HN 0.277 nan 8.240 nan 0.000 0.437 222 D N 1.691 122.046 120.400 -0.075 0.000 2.311 222 D HA -0.026 4.614 4.640 -0.000 0.000 0.212 222 D C 1.779 178.044 176.300 -0.059 0.000 0.972 222 D CA 0.790 54.747 54.000 -0.071 0.000 0.887 222 D CB -0.171 40.567 40.800 -0.103 0.000 0.915 222 D HN 0.440 nan 8.370 nan 0.000 0.497 223 A N 0.207 122.993 122.820 -0.058 0.000 2.308 223 A HA 0.047 4.366 4.320 -0.000 0.000 0.217 223 A C 0.583 178.179 177.584 0.020 0.000 1.216 223 A CA 0.395 52.418 52.037 -0.023 0.000 0.864 223 A CB 0.249 19.235 19.000 -0.022 0.000 0.902 223 A HN 0.019 nan 8.150 nan 0.000 0.499 224 D N -2.127 118.279 120.400 0.009 0.000 2.723 224 D HA -0.200 4.440 4.640 -0.000 0.000 0.236 224 D C 0.705 177.075 176.300 0.117 0.000 1.138 224 D CA 1.005 55.033 54.000 0.046 0.000 0.676 224 D CB -1.328 39.506 40.800 0.056 0.000 1.069 224 D HN 0.508 nan 8.370 nan 0.000 0.430 225 A N -0.174 122.649 122.820 0.004 0.000 2.115 225 A HA 0.127 4.446 4.320 -0.000 0.000 0.211 225 A C 2.140 179.404 177.584 -0.532 0.000 1.169 225 A CA 0.546 52.457 52.037 -0.210 0.000 0.787 225 A CB -0.041 18.834 19.000 -0.209 0.000 0.858 225 A HN 0.331 nan 8.150 nan 0.000 0.474 226 M N 1.038 120.497 119.600 -0.234 0.000 2.267 226 M HA -0.169 4.311 4.480 -0.000 0.000 0.263 226 M C 1.983 178.207 176.300 -0.126 0.000 1.063 226 M CA 1.884 57.071 55.300 -0.188 0.000 1.090 226 M CB -0.803 31.741 32.600 -0.093 0.000 1.392 226 M HN 0.702 nan 8.290 nan 0.000 0.422 227 K N 0.237 120.621 120.400 -0.026 0.000 2.280 227 K HA -0.176 4.144 4.320 -0.000 0.000 0.202 227 K C 0.784 177.511 176.600 0.212 0.000 1.047 227 K CA 1.587 57.944 56.287 0.117 0.000 0.942 227 K CB -0.598 32.008 32.500 0.178 0.000 0.739 227 K HN 0.534 nan 8.250 nan 0.000 0.457 228 Y N -1.466 118.873 120.300 0.066 0.000 2.715 228 Y HA 0.498 5.048 4.550 -0.000 0.000 0.255 228 Y C -0.626 175.325 175.900 0.086 0.000 1.139 228 Y CA -1.136 57.026 58.100 0.104 0.000 1.151 228 Y CB 0.461 38.923 38.460 0.004 0.000 1.201 228 Y HN -0.219 nan 8.280 nan 0.000 0.556 229 T N 2.918 117.380 114.554 -0.153 0.000 2.881 229 T HA 0.534 4.884 4.350 -0.000 0.000 0.290 229 T C -0.530 174.148 174.700 -0.037 0.000 1.000 229 T CA -0.485 61.524 62.100 -0.151 0.000 0.978 229 T CB 1.295 69.987 68.868 -0.294 0.000 0.997 229 T HN 0.237 nan 8.240 nan 0.000 0.443 230 I N 2.861 123.430 120.570 -0.001 0.000 2.385 230 I HA 0.462 4.632 4.170 -0.000 0.000 0.294 230 I C -0.296 175.843 176.117 0.036 0.000 0.988 230 I CA -0.956 60.361 61.300 0.028 0.000 1.265 230 I CB 1.689 39.719 38.000 0.049 0.000 1.388 230 I HN 0.209 nan 8.210 nan 0.000 0.480 231 V N 7.290 127.234 119.914 0.048 0.000 2.266 231 V HA 0.195 4.315 4.120 -0.000 0.000 0.271 231 V C 0.102 176.244 176.094 0.080 0.000 1.032 231 V CA -0.541 61.816 62.300 0.094 0.000 0.806 231 V CB 1.393 33.264 31.823 0.081 0.000 1.052 231 V HN 0.421 nan 8.190 nan 0.000 0.449 232 V N 3.831 123.784 119.914 0.065 0.000 2.530 232 V HA 0.529 4.649 4.120 -0.000 0.000 0.282 232 V C 0.477 176.598 176.094 0.045 0.000 1.048 232 V CA 0.104 62.431 62.300 0.046 0.000 0.997 232 V CB 1.624 33.466 31.823 0.031 0.000 0.987 232 V HN 0.802 nan 8.190 nan 0.000 0.477 233 S N 3.931 119.660 115.700 0.049 0.000 2.776 233 S HA 0.698 5.168 4.470 -0.000 0.000 0.284 233 S C -0.490 174.136 174.600 0.045 0.000 1.160 233 S CA -0.069 58.161 58.200 0.050 0.000 1.051 233 S CB 1.218 64.458 63.200 0.067 0.000 1.037 233 S HN 1.171 nan 8.310 nan 0.000 0.485 234 A N 4.244 127.086 122.820 0.037 0.000 2.654 234 A HA 0.614 4.934 4.320 -0.000 0.000 0.345 234 A C 0.593 178.198 177.584 0.034 0.000 1.368 234 A CA -0.370 51.690 52.037 0.038 0.000 0.895 234 A CB -0.114 18.908 19.000 0.037 0.000 1.143 234 A HN 1.012 nan 8.150 nan 0.000 0.490 235 T N -0.466 114.109 114.554 0.036 0.000 2.726 235 T HA 0.426 4.776 4.350 -0.000 0.000 0.294 235 T C 1.603 176.320 174.700 0.029 0.000 1.013 235 T CA 0.304 62.425 62.100 0.034 0.000 0.996 235 T CB 0.795 69.684 68.868 0.036 0.000 1.016 235 T HN 1.158 nan 8.240 nan 0.000 0.529 236 A N 1.130 123.967 122.820 0.028 0.000 1.997 236 A HA -0.070 4.250 4.320 -0.000 0.000 0.221 236 A C 2.449 180.044 177.584 0.017 0.000 1.172 236 A CA 2.421 54.472 52.037 0.023 0.000 0.645 236 A CB -1.280 17.734 19.000 0.023 0.000 0.813 236 A HN 1.295 nan 8.150 nan 0.000 0.454 237 S N -1.089 114.621 115.700 0.017 0.000 2.557 237 S HA 0.197 4.667 4.470 -0.000 0.000 0.223 237 S C -0.174 174.433 174.600 0.012 0.000 0.969 237 S CA -0.335 57.872 58.200 0.012 0.000 0.927 237 S CB -0.156 63.051 63.200 0.012 0.000 0.806 237 S HN 0.359 nan 8.310 nan 0.000 0.489 238 D N 2.698 123.108 120.400 0.015 0.000 2.357 238 D HA 0.614 5.254 4.640 -0.000 0.000 0.242 238 D C 0.545 176.845 176.300 -0.000 0.000 1.153 238 D CA 0.141 54.151 54.000 0.016 0.000 0.918 238 D CB 1.078 41.892 40.800 0.024 0.000 1.181 238 D HN 0.418 nan 8.370 nan 0.000 0.435 239 A N 0.980 123.793 122.820 -0.012 0.000 2.327 239 A HA 0.488 4.807 4.320 -0.000 0.000 0.255 239 A C 1.280 178.824 177.584 -0.067 0.000 1.099 239 A CA 0.406 52.418 52.037 -0.042 0.000 0.801 239 A CB 0.066 19.034 19.000 -0.053 0.000 1.062 239 A HN 0.581 nan 8.150 nan 0.000 0.496 240 A N 0.526 123.297 122.820 -0.082 0.000 1.841 240 A HA -0.025 4.295 4.320 -0.000 0.000 0.216 240 A C -0.211 177.322 177.584 -0.085 0.000 1.199 240 A CA 2.107 54.104 52.037 -0.067 0.000 0.621 240 A CB -1.969 16.984 19.000 -0.079 0.000 0.835 240 A HN 0.595 nan 8.150 nan 0.000 0.445 241 P HA -0.137 nan 4.420 nan 0.000 0.220 241 P C 1.354 178.491 177.300 -0.272 0.000 1.144 241 P CA 0.845 63.769 63.100 -0.292 0.000 0.800 241 P CB -0.155 30.981 31.700 -0.940 0.000 0.772 242 L N -0.839 120.217 121.223 -0.277 0.000 1.961 242 L HA -0.229 4.111 4.340 -0.000 0.000 0.210 242 L C 2.677 179.555 176.870 0.014 0.000 1.072 242 L CA 1.712 56.509 54.840 -0.071 0.000 0.749 242 L CB -1.223 40.829 42.059 -0.011 0.000 0.889 242 L HN -0.008 nan 8.230 nan 0.000 0.432 243 Q N -0.798 119.019 119.800 0.028 0.000 2.112 243 Q HA -0.305 4.035 4.340 -0.000 0.000 0.206 243 Q C 2.137 178.208 176.000 0.119 0.000 0.987 243 Q CA 2.326 58.168 55.803 0.064 0.000 0.858 243 Q CB -0.589 28.188 28.738 0.065 0.000 0.905 243 Q HN 0.505 nan 8.270 nan 0.000 0.420 244 Y N 1.046 121.369 120.300 0.038 0.000 2.165 244 Y HA -0.231 4.319 4.550 -0.000 0.000 0.286 244 Y C 1.796 177.795 175.900 0.166 0.000 1.155 244 Y CA 1.406 59.571 58.100 0.108 0.000 1.164 244 Y CB -0.380 38.149 38.460 0.115 0.000 0.978 244 Y HN 0.021 nan 8.280 nan 0.000 0.513 245 L N -0.186 120.943 121.223 -0.157 0.000 2.095 245 L HA -0.017 4.323 4.340 -0.000 0.000 0.204 245 L C 2.805 179.692 176.870 0.028 0.000 1.080 245 L CA 1.125 55.850 54.840 -0.190 0.000 0.759 245 L CB -0.936 41.101 42.059 -0.038 0.000 0.914 245 L HN 0.331 nan 8.230 nan 0.000 0.439 246 A N 0.843 123.684 122.820 0.035 0.000 1.909 246 A HA -0.258 4.061 4.320 -0.000 0.000 0.221 246 A C -0.185 177.422 177.584 0.038 0.000 1.223 246 A CA 2.627 54.690 52.037 0.044 0.000 0.658 246 A CB -2.185 16.835 19.000 0.034 0.000 0.831 246 A HN 0.318 nan 8.150 nan 0.000 0.462 247 P HA -0.135 nan 4.420 nan 0.000 0.218 247 P C 0.844 178.061 177.300 -0.138 0.000 1.148 247 P CA 1.290 64.332 63.100 -0.097 0.000 0.822 247 P CB -0.208 31.210 31.700 -0.470 0.000 0.784 248 Y N -0.766 119.468 120.300 -0.111 0.000 2.314 248 Y HA -0.071 4.478 4.550 -0.000 0.000 0.293 248 Y C 2.569 178.459 175.900 -0.017 0.000 1.129 248 Y CA 1.019 59.065 58.100 -0.090 0.000 1.201 248 Y CB -1.194 37.165 38.460 -0.169 0.000 0.999 248 Y HN -0.088 nan 8.280 nan 0.000 0.541 249 S N 0.096 115.878 115.700 0.137 0.000 2.349 249 S HA -0.196 4.274 4.470 -0.000 0.000 0.216 249 S C 2.551 177.208 174.600 0.094 0.000 1.033 249 S CA 1.358 59.617 58.200 0.099 0.000 1.021 249 S CB -1.240 62.008 63.200 0.080 0.000 0.968 249 S HN 0.636 nan 8.310 nan 0.000 0.426 250 G N 0.661 109.512 108.800 0.085 0.000 2.679 250 G HA2 -0.411 3.549 3.960 -0.000 0.000 0.222 250 G HA3 -0.411 3.549 3.960 -0.000 0.000 0.222 250 G C 1.804 176.756 174.900 0.087 0.000 1.164 250 G CA 1.464 46.607 45.100 0.071 0.000 0.769 250 G HN 0.606 nan 8.290 nan 0.000 0.610 251 C N 0.010 119.396 119.300 0.144 0.000 2.413 251 C HA -0.008 4.452 4.460 -0.000 0.000 0.276 251 C C 3.268 178.331 174.990 0.120 0.000 1.248 251 C CA 1.802 60.903 59.018 0.137 0.000 1.742 251 C CB -1.079 26.738 27.740 0.128 0.000 2.017 251 C HN 0.375 nan 8.230 nan 0.000 0.481 252 S N -0.018 115.755 115.700 0.122 0.000 2.383 252 S HA -0.063 4.406 4.470 -0.000 0.000 0.227 252 S C 1.713 176.408 174.600 0.158 0.000 1.026 252 S CA 1.776 60.051 58.200 0.126 0.000 0.981 252 S CB -0.276 62.987 63.200 0.105 0.000 0.818 252 S HN 0.685 nan 8.310 nan 0.000 0.472 253 M N 0.195 119.887 119.600 0.152 0.000 2.394 253 M HA 0.045 4.524 4.480 -0.000 0.000 0.264 253 M C 2.125 178.646 176.300 0.368 0.000 1.073 253 M CA 1.083 56.506 55.300 0.206 0.000 1.111 253 M CB -0.260 32.430 32.600 0.150 0.000 1.401 253 M HN 0.383 nan 8.290 nan 0.000 0.448 254 G N -0.525 108.425 108.800 0.250 0.000 2.545 254 G HA2 -0.092 3.868 3.960 -0.000 0.000 0.212 254 G HA3 -0.092 3.868 3.960 -0.000 0.000 0.212 254 G C 1.274 176.356 174.900 0.303 0.000 1.144 254 G CA -0.001 45.240 45.100 0.236 0.000 0.813 254 G HN 0.434 nan 8.290 nan 0.000 0.531 255 E N -0.528 119.807 120.200 0.224 0.000 2.333 255 E HA -0.150 4.200 4.350 -0.000 0.000 0.198 255 E C 1.699 178.418 176.600 0.199 0.000 1.007 255 E CA 0.515 57.019 56.400 0.175 0.000 0.845 255 E CB -0.162 29.620 29.700 0.137 0.000 0.766 255 E HN 0.621 nan 8.360 nan 0.000 0.507 256 Y N -0.003 120.388 120.300 0.152 0.000 2.092 256 Y HA -0.234 4.315 4.550 -0.000 0.000 0.282 256 Y C 1.557 177.484 175.900 0.044 0.000 1.126 256 Y CA 1.860 59.992 58.100 0.052 0.000 1.111 256 Y CB -0.691 37.743 38.460 -0.043 0.000 0.987 256 Y HN -0.023 nan 8.280 nan 0.000 0.489 257 F N 1.150 120.991 119.950 -0.181 0.000 2.115 257 F HA -0.288 4.239 4.527 -0.000 0.000 0.300 257 F C 2.798 178.469 175.800 -0.216 0.000 1.092 257 F CA 2.142 59.956 58.000 -0.310 0.000 1.245 257 F CB -1.117 37.844 39.000 -0.065 0.000 0.995 257 F HN 0.080 nan 8.300 nan 0.000 0.481 258 R N 0.504 121.083 120.500 0.131 0.000 2.103 258 R HA -0.198 4.142 4.340 -0.000 0.000 0.242 258 R C 1.346 177.655 176.300 0.015 0.000 1.142 258 R CA 2.199 58.352 56.100 0.089 0.000 0.960 258 R CB -0.458 29.901 30.300 0.099 0.000 0.858 258 R HN 0.184 nan 8.270 nan 0.000 0.439 259 D N -0.294 120.079 120.400 -0.046 0.000 2.340 259 D HA 0.000 4.640 4.640 -0.000 0.000 0.220 259 D C -0.111 176.109 176.300 -0.134 0.000 1.039 259 D CA 0.518 54.493 54.000 -0.041 0.000 0.866 259 D CB 0.142 40.938 40.800 -0.006 0.000 0.913 259 D HN 0.308 nan 8.370 nan 0.000 0.523 260 N N -0.629 117.911 118.700 -0.267 0.000 2.458 260 N HA 0.264 5.004 4.740 -0.000 0.000 0.274 260 N C 0.910 176.299 175.510 -0.201 0.000 1.242 260 N CA 0.017 52.887 53.050 -0.299 0.000 0.904 260 N CB 1.143 39.287 38.487 -0.572 0.000 1.206 260 N HN -0.032 nan 8.380 nan 0.000 0.510 261 G N 0.080 108.807 108.800 -0.121 0.000 2.186 261 G HA2 -0.359 3.600 3.960 -0.000 0.000 0.266 261 G HA3 -0.359 3.600 3.960 -0.000 0.000 0.266 261 G C 0.369 175.156 174.900 -0.187 0.000 0.982 261 G CA 0.723 45.758 45.100 -0.108 0.000 0.670 261 G HN 0.318 nan 8.290 nan 0.000 0.533 262 K N -0.724 119.588 120.400 -0.148 0.000 2.419 262 K HA 0.594 4.913 4.320 -0.000 0.000 0.246 262 K C -0.549 176.035 176.600 -0.027 0.000 1.037 262 K CA -0.822 55.407 56.287 -0.097 0.000 0.982 262 K CB 0.656 33.218 32.500 0.102 0.000 1.283 262 K HN 0.230 nan 8.250 nan 0.000 0.500 263 H N -0.539 118.686 119.070 0.259 0.000 2.906 263 H HA 0.433 4.989 4.556 -0.000 0.000 0.324 263 H C -1.031 174.376 175.328 0.131 0.000 0.973 263 H CA -0.716 55.417 56.048 0.143 0.000 1.321 263 H CB 1.509 31.307 29.762 0.060 0.000 1.535 263 H HN 0.685 nan 8.280 nan 0.000 0.518 264 A N 2.928 125.845 122.820 0.162 0.000 2.354 264 A HA 0.659 4.979 4.320 -0.000 0.000 0.321 264 A C -1.108 176.450 177.584 -0.044 0.000 1.125 264 A CA -0.702 51.330 52.037 -0.009 0.000 0.799 264 A CB 1.546 20.462 19.000 -0.140 0.000 1.293 264 A HN 0.459 nan 8.150 nan 0.000 0.452 265 L N 1.674 122.845 121.223 -0.087 0.000 2.349 265 L HA 0.752 5.091 4.340 -0.000 0.000 0.278 265 L C -1.015 175.764 176.870 -0.151 0.000 0.996 265 L CA -0.392 54.384 54.840 -0.107 0.000 0.825 265 L CB 1.295 43.303 42.059 -0.085 0.000 1.243 265 L HN 0.674 nan 8.230 nan 0.000 0.412 266 I N 5.521 125.958 120.570 -0.221 0.000 2.404 266 I HA 0.535 4.705 4.170 -0.000 0.000 0.293 266 I C -1.044 174.783 176.117 -0.484 0.000 0.992 266 I CA -0.503 60.578 61.300 -0.366 0.000 1.149 266 I CB 1.159 38.872 38.000 -0.478 0.000 1.315 266 I HN 0.448 nan 8.210 nan 0.000 0.446 267 I N 8.468 128.782 120.570 -0.427 0.000 2.312 267 I HA 0.175 4.345 4.170 -0.000 0.000 0.290 267 I C -1.051 174.726 176.117 -0.568 0.000 1.008 267 I CA -0.362 60.699 61.300 -0.398 0.000 1.226 267 I CB 0.596 38.512 38.000 -0.140 0.000 1.371 267 I HN 0.542 nan 8.210 nan 0.000 0.468 268 Y N 3.810 123.967 120.300 -0.237 0.000 2.676 268 Y HA 0.250 4.800 4.550 -0.000 0.000 0.338 268 Y C 0.347 176.090 175.900 -0.261 0.000 1.057 268 Y CA -0.693 57.245 58.100 -0.271 0.000 1.314 268 Y CB 0.428 38.736 38.460 -0.254 0.000 1.164 268 Y HN 0.431 nan 8.280 nan 0.000 0.509 269 D N 3.461 123.722 120.400 -0.232 0.000 2.479 269 D HA 0.111 4.751 4.640 -0.000 0.000 0.247 269 D C -1.332 174.889 176.300 -0.132 0.000 1.119 269 D CA -0.187 53.708 54.000 -0.175 0.000 0.922 269 D CB 0.385 41.051 40.800 -0.224 0.000 1.014 269 D HN 0.578 nan 8.370 nan 0.000 0.510 270 D N 4.098 124.459 120.400 -0.064 0.000 2.890 270 D HA 0.053 4.693 4.640 -0.000 0.000 0.233 270 D C 0.575 176.848 176.300 -0.045 0.000 1.306 270 D CA -0.457 53.518 54.000 -0.042 0.000 0.929 270 D CB 1.586 42.380 40.800 -0.011 0.000 1.512 270 D HN 0.255 nan 8.370 nan 0.000 0.568 271 L N 2.420 123.589 121.223 -0.090 0.000 2.622 271 L HA -0.055 4.284 4.340 -0.000 0.000 0.233 271 L C 1.764 178.590 176.870 -0.072 0.000 1.156 271 L CA 0.521 55.262 54.840 -0.166 0.000 0.866 271 L CB 0.010 41.830 42.059 -0.398 0.000 0.980 271 L HN 0.281 nan 8.230 nan 0.000 0.448 272 S N -0.451 115.239 115.700 -0.017 0.000 2.404 272 S HA -0.063 4.407 4.470 -0.000 0.000 0.223 272 S C 1.797 176.455 174.600 0.097 0.000 1.040 272 S CA 0.592 58.818 58.200 0.044 0.000 0.957 272 S CB 0.131 63.351 63.200 0.033 0.000 0.826 272 S HN 0.368 nan 8.310 nan 0.000 0.491 273 K N 1.403 121.845 120.400 0.070 0.000 2.211 273 K HA -0.048 4.272 4.320 -0.000 0.000 0.203 273 K C 2.324 178.986 176.600 0.104 0.000 1.050 273 K CA 0.733 57.069 56.287 0.081 0.000 0.945 273 K CB -0.078 32.452 32.500 0.052 0.000 0.732 273 K HN 0.324 nan 8.250 nan 0.000 0.451 274 Q N 0.867 120.732 119.800 0.107 0.000 2.083 274 Q HA -0.128 4.212 4.340 -0.000 0.000 0.198 274 Q C 2.101 178.233 176.000 0.219 0.000 0.969 274 Q CA 1.330 57.223 55.803 0.150 0.000 0.838 274 Q CB -0.054 28.756 28.738 0.121 0.000 0.900 274 Q HN 0.299 nan 8.270 nan 0.000 0.436 275 A N 0.470 123.432 122.820 0.236 0.000 1.873 275 A HA -0.195 4.125 4.320 -0.000 0.000 0.218 275 A C 2.277 180.075 177.584 0.356 0.000 1.193 275 A CA 1.989 54.184 52.037 0.263 0.000 0.629 275 A CB -1.102 18.017 19.000 0.199 0.000 0.826 275 A HN 0.297 nan 8.150 nan 0.000 0.447 276 V N 0.010 120.100 119.914 0.294 0.000 2.231 276 V HA -0.353 3.767 4.120 -0.000 0.000 0.250 276 V C 3.052 179.202 176.094 0.094 0.000 1.058 276 V CA 2.428 64.832 62.300 0.174 0.000 1.022 276 V CB -1.643 30.249 31.823 0.115 0.000 0.640 276 V HN 0.681 nan 8.190 nan 0.000 0.445 277 A N -0.871 122.014 122.820 0.109 0.000 1.873 277 A HA -0.328 3.991 4.320 -0.000 0.000 0.218 277 A C 2.186 179.802 177.584 0.054 0.000 1.193 277 A CA 2.479 54.560 52.037 0.073 0.000 0.629 277 A CB -0.992 18.072 19.000 0.106 0.000 0.826 277 A HN 0.654 nan 8.150 nan 0.000 0.447 278 Y N 0.441 120.751 120.300 0.015 0.000 2.207 278 Y HA -0.256 4.294 4.550 -0.000 0.000 0.287 278 Y C 2.545 178.395 175.900 -0.083 0.000 1.156 278 Y CA 2.234 60.283 58.100 -0.086 0.000 1.182 278 Y CB -0.379 38.060 38.460 -0.036 0.000 0.979 278 Y HN 0.371 nan 8.280 nan 0.000 0.521 279 R N 0.298 120.801 120.500 0.005 0.000 2.097 279 R HA -0.307 4.033 4.340 -0.000 0.000 0.236 279 R C 2.492 178.658 176.300 -0.225 0.000 1.135 279 R CA 2.225 58.244 56.100 -0.135 0.000 0.934 279 R CB -0.609 29.541 30.300 -0.251 0.000 0.846 279 R HN 0.590 nan 8.270 nan 0.000 0.431 280 Q N 0.253 119.951 119.800 -0.171 0.000 2.062 280 Q HA -0.278 4.062 4.340 -0.000 0.000 0.209 280 Q C 2.115 177.996 176.000 -0.198 0.000 0.996 280 Q CA 2.720 58.430 55.803 -0.155 0.000 0.859 280 Q CB -0.189 28.486 28.738 -0.105 0.000 0.920 280 Q HN 0.455 nan 8.270 nan 0.000 0.415 281 M N -0.189 119.253 119.600 -0.264 0.000 2.065 281 M HA -0.202 4.278 4.480 -0.000 0.000 0.259 281 M C 2.541 178.641 176.300 -0.333 0.000 1.069 281 M CA 1.776 56.894 55.300 -0.304 0.000 1.110 281 M CB -0.418 31.947 32.600 -0.391 0.000 1.328 281 M HN 0.157 nan 8.290 nan 0.000 0.405 282 S N 0.506 115.916 115.700 -0.483 0.000 2.374 282 S HA -0.116 4.354 4.470 -0.000 0.000 0.227 282 S C 1.797 176.281 174.600 -0.193 0.000 1.037 282 S CA 1.205 59.190 58.200 -0.358 0.000 1.024 282 S CB -0.355 62.617 63.200 -0.379 0.000 0.861 282 S HN 0.332 nan 8.310 nan 0.000 0.456 283 L N 0.656 121.775 121.223 -0.173 0.000 2.023 283 L HA -0.062 4.278 4.340 -0.000 0.000 0.205 283 L C 2.219 179.032 176.870 -0.094 0.000 1.073 283 L CA 1.112 55.883 54.840 -0.115 0.000 0.745 283 L CB -0.634 41.358 42.059 -0.112 0.000 0.900 283 L HN 0.326 nan 8.230 nan 0.000 0.435 284 L N -0.426 120.736 121.223 -0.102 0.000 2.131 284 L HA -0.209 4.131 4.340 -0.000 0.000 0.210 284 L C 2.300 179.130 176.870 -0.068 0.000 1.092 284 L CA 0.884 55.678 54.840 -0.076 0.000 0.759 284 L CB -0.454 41.560 42.059 -0.075 0.000 0.903 284 L HN 0.283 nan 8.230 nan 0.000 0.435 285 L N -0.003 121.168 121.223 -0.088 0.000 2.633 285 L HA -0.030 4.310 4.340 -0.000 0.000 0.235 285 L C 0.511 177.351 176.870 -0.049 0.000 1.163 285 L CA 0.194 54.993 54.840 -0.067 0.000 0.859 285 L CB -0.377 41.627 42.059 -0.091 0.000 0.973 285 L HN 0.286 nan 8.230 nan 0.000 0.451 286 R N 1.014 121.483 120.500 -0.051 0.000 3.127 286 R HA -0.182 4.158 4.340 -0.000 0.000 0.247 286 R C -0.312 175.970 176.300 -0.031 0.000 0.896 286 R CA 0.460 56.538 56.100 -0.037 0.000 0.624 286 R CB -1.501 28.784 30.300 -0.024 0.000 1.154 286 R HN 0.414 nan 8.270 nan 0.000 0.474 287 R N 0.925 121.400 120.500 -0.040 0.000 2.460 287 R HA 0.312 4.651 4.340 -0.000 0.000 0.303 287 R C -2.193 174.100 176.300 -0.011 0.000 0.968 287 R CA -2.153 53.932 56.100 -0.024 0.000 0.889 287 R CB 0.980 31.259 30.300 -0.035 0.000 1.123 287 R HN -0.058 nan 8.270 nan 0.000 0.455 288 P HA -0.039 nan 4.420 nan 0.000 0.255 288 P C -2.357 174.959 177.300 0.026 0.000 1.161 288 P CA -0.530 62.579 63.100 0.015 0.000 0.768 288 P CB -0.176 31.538 31.700 0.024 0.000 0.746 289 P HA 0.291 nan 4.420 nan 0.000 0.275 289 P C 0.485 177.817 177.300 0.054 0.000 1.227 289 P CA 0.047 63.165 63.100 0.030 0.000 0.781 289 P CB 1.015 32.719 31.700 0.007 0.000 0.906 290 G N 1.311 110.169 108.800 0.098 0.000 3.252 290 G HA2 0.387 4.347 3.960 -0.000 0.000 0.181 290 G HA3 0.387 4.347 3.960 -0.000 0.000 0.181 290 G C -0.764 174.201 174.900 0.108 0.000 1.187 290 G CA -0.777 44.381 45.100 0.097 0.000 0.886 290 G HN 0.503 nan 8.290 nan 0.000 0.615 291 R N 0.228 120.771 120.500 0.071 0.000 2.623 291 R HA 0.161 4.501 4.340 -0.000 0.000 0.271 291 R C 0.373 176.841 176.300 0.280 0.000 1.043 291 R CA 0.894 57.023 56.100 0.048 0.000 1.083 291 R CB -0.012 30.145 30.300 -0.239 0.000 0.974 291 R HN 0.674 nan 8.270 nan 0.000 0.436 292 E N 2.119 122.452 120.200 0.222 0.000 2.885 292 E HA -0.356 3.994 4.350 -0.000 0.000 0.267 292 E C 0.293 176.962 176.600 0.116 0.000 1.100 292 E CA 0.931 57.489 56.400 0.263 0.000 0.779 292 E CB -0.849 29.167 29.700 0.527 0.000 1.383 292 E HN 0.848 nan 8.360 nan 0.000 0.443 293 A N -3.034 119.845 122.820 0.098 0.000 3.172 293 A HA -0.304 4.015 4.320 -0.000 0.000 0.263 293 A C 0.065 177.629 177.584 -0.033 0.000 1.215 293 A CA 1.607 53.640 52.037 -0.007 0.000 1.065 293 A CB -2.166 16.778 19.000 -0.094 0.000 1.148 293 A HN 0.418 nan 8.150 nan 0.000 0.904 294 Y N -0.090 120.309 120.300 0.165 0.000 2.326 294 Y HA 0.438 4.988 4.550 -0.000 0.000 0.333 294 Y C -1.197 174.812 175.900 0.182 0.000 1.240 294 Y CA -1.308 56.883 58.100 0.153 0.000 1.365 294 Y CB 0.068 38.596 38.460 0.113 0.000 1.289 294 Y HN 0.166 nan 8.280 nan 0.000 0.548 295 P HA 0.014 nan 4.420 nan 0.000 0.274 295 P C 0.535 178.000 177.300 0.276 0.000 1.264 295 P CA 0.302 63.543 63.100 0.235 0.000 0.795 295 P CB 0.544 32.397 31.700 0.255 0.000 1.064 296 G N -0.160 108.771 108.800 0.217 0.000 2.985 296 G HA2 -0.064 3.896 3.960 -0.000 0.000 0.209 296 G HA3 -0.064 3.896 3.960 -0.000 0.000 0.209 296 G C 0.234 175.267 174.900 0.222 0.000 1.165 296 G CA 0.122 45.347 45.100 0.208 0.000 0.776 296 G HN 0.551 nan 8.290 nan 0.000 0.541 297 D N -0.426 120.120 120.400 0.244 0.000 2.395 297 D HA 0.057 4.697 4.640 -0.000 0.000 0.213 297 D C 1.617 178.007 176.300 0.150 0.000 1.110 297 D CA -0.381 53.778 54.000 0.266 0.000 0.835 297 D CB 0.090 41.078 40.800 0.312 0.000 0.965 297 D HN 0.037 nan 8.370 nan 0.000 0.505 298 V N -0.295 119.681 119.914 0.103 0.000 3.380 298 V HA 0.026 4.146 4.120 -0.000 0.000 0.268 298 V C 1.237 177.202 176.094 -0.216 0.000 1.168 298 V CA 0.756 62.977 62.300 -0.132 0.000 1.156 298 V CB -0.742 31.021 31.823 -0.099 0.000 0.785 298 V HN 0.192 nan 8.190 nan 0.000 0.487 299 F N -0.209 119.675 119.950 -0.110 0.000 2.138 299 F HA -0.016 4.510 4.527 -0.000 0.000 0.283 299 F C 2.084 177.906 175.800 0.037 0.000 1.100 299 F CA 1.762 59.740 58.000 -0.036 0.000 1.189 299 F CB -0.726 38.313 39.000 0.065 0.000 1.060 299 F HN 0.232 nan 8.300 nan 0.000 0.492 300 Y N 1.233 121.677 120.300 0.240 0.000 2.221 300 Y HA -0.334 4.216 4.550 -0.000 0.000 0.280 300 Y C 2.100 177.959 175.900 -0.069 0.000 1.225 300 Y CA 1.831 59.988 58.100 0.095 0.000 1.191 300 Y CB -1.124 37.405 38.460 0.115 0.000 0.964 300 Y HN 0.311 nan 8.280 nan 0.000 0.530 301 L N -0.208 120.886 121.223 -0.215 0.000 1.943 301 L HA -0.257 4.083 4.340 -0.000 0.000 0.215 301 L C 2.434 179.167 176.870 -0.229 0.000 1.074 301 L CA 2.560 57.195 54.840 -0.343 0.000 0.759 301 L CB -1.144 40.593 42.059 -0.537 0.000 0.888 301 L HN 0.368 nan 8.230 nan 0.000 0.433 302 H N -1.555 117.335 119.070 -0.301 0.000 2.457 302 H HA -0.080 4.476 4.556 -0.000 0.000 0.294 302 H C 2.247 177.336 175.328 -0.399 0.000 1.064 302 H CA 0.937 56.760 56.048 -0.375 0.000 1.330 302 H CB 0.052 29.583 29.762 -0.386 0.000 1.395 302 H HN 0.550 nan 8.280 nan 0.000 0.541 303 S N 0.566 116.066 115.700 -0.334 0.000 2.436 303 S HA -0.048 4.422 4.470 -0.000 0.000 0.228 303 S C 1.953 176.472 174.600 -0.134 0.000 1.014 303 S CA 0.121 58.141 58.200 -0.301 0.000 0.950 303 S CB 0.086 63.032 63.200 -0.424 0.000 0.784 303 S HN 0.305 nan 8.310 nan 0.000 0.504 304 R N 0.575 120.991 120.500 -0.140 0.000 2.082 304 R HA -0.042 4.298 4.340 -0.000 0.000 0.234 304 R C 2.421 178.686 176.300 -0.059 0.000 1.136 304 R CA 1.657 57.698 56.100 -0.099 0.000 0.935 304 R CB -0.860 29.317 30.300 -0.205 0.000 0.842 304 R HN 0.457 nan 8.270 nan 0.000 0.430 305 L N 1.206 122.362 121.223 -0.111 0.000 1.970 305 L HA -0.180 4.160 4.340 -0.000 0.000 0.212 305 L C 1.980 178.726 176.870 -0.208 0.000 1.071 305 L CA 1.834 56.509 54.840 -0.275 0.000 0.751 305 L CB -0.491 41.157 42.059 -0.686 0.000 0.889 305 L HN 0.158 nan 8.230 nan 0.000 0.432 306 L N -0.801 120.298 121.223 -0.205 0.000 2.395 306 L HA -0.051 4.288 4.340 -0.000 0.000 0.218 306 L C 1.990 178.823 176.870 -0.061 0.000 1.130 306 L CA 0.457 55.224 54.840 -0.122 0.000 0.826 306 L CB -0.366 41.602 42.059 -0.152 0.000 0.941 306 L HN 0.317 nan 8.230 nan 0.000 0.451 307 E N 0.266 120.432 120.200 -0.057 0.000 2.502 307 E HA -0.052 4.298 4.350 -0.000 0.000 0.194 307 E C 1.697 178.291 176.600 -0.009 0.000 1.062 307 E CA 0.343 56.729 56.400 -0.023 0.000 0.867 307 E CB 0.102 29.797 29.700 -0.007 0.000 0.888 307 E HN 0.214 nan 8.360 nan 0.000 0.510 308 R N -0.597 119.898 120.500 -0.008 0.000 2.334 308 R HA 0.338 4.678 4.340 -0.000 0.000 0.216 308 R C 0.052 176.365 176.300 0.022 0.000 0.905 308 R CA 0.280 56.388 56.100 0.014 0.000 1.064 308 R CB 0.688 31.002 30.300 0.025 0.000 1.046 308 R HN -0.032 nan 8.270 nan 0.000 0.508 309 A N 0.858 123.686 122.820 0.014 0.000 2.309 309 A HA 0.760 5.080 4.320 -0.000 0.000 0.298 309 A C -0.329 177.252 177.584 -0.005 0.000 1.165 309 A CA -0.172 51.870 52.037 0.009 0.000 0.821 309 A CB 0.873 19.875 19.000 0.002 0.000 1.102 309 A HN 0.261 nan 8.150 nan 0.000 0.500 310 A N 1.712 124.530 122.820 -0.004 0.000 2.536 310 A HA 0.766 5.086 4.320 -0.000 0.000 0.293 310 A C -0.995 176.582 177.584 -0.012 0.000 1.119 310 A CA -0.614 51.414 52.037 -0.016 0.000 0.654 310 A CB 0.947 19.933 19.000 -0.024 0.000 1.291 310 A HN 1.020 nan 8.150 nan 0.000 0.439 311 K N 1.317 121.704 120.400 -0.021 0.000 2.521 311 K HA 0.533 4.853 4.320 -0.000 0.000 0.248 311 K C -0.757 175.835 176.600 -0.012 0.000 0.978 311 K CA -0.316 55.966 56.287 -0.008 0.000 0.947 311 K CB 0.393 32.879 32.500 -0.024 0.000 1.165 311 K HN 0.599 nan 8.250 nan 0.000 0.445 312 M N 3.368 122.974 119.600 0.011 0.000 2.238 312 M HA 0.097 4.577 4.480 -0.000 0.000 0.350 312 M C 0.282 176.599 176.300 0.029 0.000 1.321 312 M CA -0.208 55.085 55.300 -0.011 0.000 1.097 312 M CB -0.586 32.053 32.600 0.065 0.000 1.713 312 M HN 0.715 nan 8.290 nan 0.000 0.455 313 N N 2.467 121.162 118.700 -0.007 0.000 2.260 313 N HA -0.016 4.724 4.740 -0.000 0.000 0.230 313 N C 0.280 175.863 175.510 0.122 0.000 1.323 313 N CA 0.007 53.085 53.050 0.047 0.000 0.897 313 N CB 0.479 38.984 38.487 0.030 0.000 1.146 313 N HN 0.503 nan 8.380 nan 0.000 0.460 314 D N -0.366 120.097 120.400 0.104 0.000 2.092 314 D HA -0.216 4.424 4.640 -0.000 0.000 0.193 314 D C 1.563 177.941 176.300 0.129 0.000 0.994 314 D CA 2.165 56.224 54.000 0.098 0.000 0.828 314 D CB -0.566 40.274 40.800 0.066 0.000 0.963 314 D HN 0.743 nan 8.370 nan 0.000 0.450 315 A N -0.191 122.728 122.820 0.166 0.000 2.298 315 A HA -0.169 4.151 4.320 -0.000 0.000 0.215 315 A C 1.145 178.799 177.584 0.117 0.000 1.193 315 A CA 1.043 53.170 52.037 0.151 0.000 0.697 315 A CB -0.609 18.512 19.000 0.201 0.000 0.774 315 A HN 0.192 nan 8.150 nan 0.000 0.492 316 F N -2.641 117.308 119.950 -0.001 0.000 2.772 316 F HA 0.427 4.954 4.527 -0.000 0.000 0.316 316 F C 1.532 177.324 175.800 -0.014 0.000 1.114 316 F CA 0.383 58.380 58.000 -0.005 0.000 1.191 316 F CB 1.030 40.031 39.000 0.002 0.000 1.065 316 F HN 0.277 nan 8.300 nan 0.000 0.534 317 G N -0.692 108.178 108.800 0.116 0.000 2.545 317 G HA2 0.031 3.991 3.960 -0.000 0.000 0.195 317 G HA3 0.031 3.991 3.960 -0.000 0.000 0.195 317 G C 1.266 176.194 174.900 0.046 0.000 1.009 317 G CA -0.043 45.083 45.100 0.043 0.000 0.703 317 G HN 0.964 nan 8.290 nan 0.000 0.479 318 G N -0.092 108.765 108.800 0.095 0.000 2.184 318 G HA2 0.152 4.112 3.960 -0.000 0.000 0.264 318 G HA3 0.152 4.112 3.960 -0.000 0.000 0.264 318 G C 1.591 176.580 174.900 0.149 0.000 0.975 318 G CA 1.179 46.340 45.100 0.103 0.000 0.642 318 G HN 2.088 nan 8.290 nan 0.000 0.536 319 G N -0.351 108.514 108.800 0.109 0.000 2.712 319 G HA2 0.599 4.559 3.960 -0.000 0.000 0.258 319 G HA3 0.599 4.559 3.960 -0.000 0.000 0.258 319 G C 0.341 175.391 174.900 0.251 0.000 1.241 319 G CA 1.185 46.372 45.100 0.145 0.000 0.923 319 G HN 1.943 nan 8.290 nan 0.000 0.548 320 S N -1.299 114.597 115.700 0.328 0.000 2.543 320 S HA 0.486 4.956 4.470 -0.000 0.000 0.273 320 S C -1.505 173.170 174.600 0.126 0.000 1.152 320 S CA -0.824 57.480 58.200 0.172 0.000 0.910 320 S CB 1.766 64.982 63.200 0.026 0.000 1.105 320 S HN 0.993 nan 8.310 nan 0.000 0.465 321 L N 2.695 123.952 121.223 0.055 0.000 2.341 321 L HA 0.847 5.187 4.340 -0.000 0.000 0.278 321 L C -0.658 176.200 176.870 -0.021 0.000 1.005 321 L CA 0.284 55.138 54.840 0.024 0.000 0.818 321 L CB 1.769 43.850 42.059 0.036 0.000 1.259 321 L HN 0.940 nan 8.230 nan 0.000 0.418 322 T N 4.396 118.918 114.554 -0.053 0.000 2.824 322 T HA 0.841 5.191 4.350 -0.000 0.000 0.282 322 T C -0.700 173.941 174.700 -0.099 0.000 0.993 322 T CA -0.390 61.665 62.100 -0.075 0.000 0.967 322 T CB 1.500 70.311 68.868 -0.095 0.000 0.960 322 T HN 0.820 nan 8.240 nan 0.000 0.441 323 A N 3.612 126.381 122.820 -0.085 0.000 2.318 323 A HA 0.761 5.080 4.320 -0.000 0.000 0.317 323 A C -0.496 177.028 177.584 -0.100 0.000 1.159 323 A CA -0.744 51.226 52.037 -0.112 0.000 0.799 323 A CB 0.553 19.555 19.000 0.002 0.000 1.194 323 A HN 0.860 nan 8.150 nan 0.000 0.479 324 L N 4.213 125.350 121.223 -0.144 0.000 2.321 324 L HA 0.334 4.674 4.340 -0.000 0.000 0.272 324 L C -2.474 174.341 176.870 -0.092 0.000 1.050 324 L CA -1.774 53.002 54.840 -0.107 0.000 0.893 324 L CB 0.991 42.991 42.059 -0.098 0.000 1.272 324 L HN 0.422 nan 8.230 nan 0.000 0.435 325 P HA 0.258 nan 4.420 nan 0.000 0.276 325 P C -0.637 176.624 177.300 -0.066 0.000 1.244 325 P CA -0.376 62.727 63.100 0.007 0.000 0.801 325 P CB 1.632 33.305 31.700 -0.045 0.000 1.006 326 V N 3.125 122.997 119.914 -0.071 0.000 2.525 326 V HA 0.345 4.465 4.120 -0.000 0.000 0.299 326 V C -0.353 175.697 176.094 -0.073 0.000 1.034 326 V CA -0.459 61.800 62.300 -0.068 0.000 0.863 326 V CB 1.603 33.399 31.823 -0.045 0.000 0.999 326 V HN 0.370 nan 8.190 nan 0.000 0.423 327 I N 3.595 124.125 120.570 -0.067 0.000 2.406 327 I HA 0.444 4.614 4.170 -0.000 0.000 0.290 327 I C 0.178 176.287 176.117 -0.013 0.000 0.999 327 I CA -0.613 60.657 61.300 -0.051 0.000 1.124 327 I CB 1.885 39.852 38.000 -0.056 0.000 1.289 327 I HN 0.748 nan 8.210 nan 0.000 0.441 328 E N 4.604 124.807 120.200 0.004 0.000 2.200 328 E HA 0.373 4.723 4.350 -0.000 0.000 0.283 328 E C -0.427 176.196 176.600 0.038 0.000 1.015 328 E CA -0.365 56.049 56.400 0.023 0.000 0.819 328 E CB 0.961 30.677 29.700 0.027 0.000 1.081 328 E HN 0.710 nan 8.360 nan 0.000 0.397 329 T N 1.871 116.455 114.554 0.049 0.000 2.945 329 T HA 0.362 4.712 4.350 -0.000 0.000 0.286 329 T C -0.285 174.449 174.700 0.057 0.000 1.025 329 T CA -1.077 61.060 62.100 0.062 0.000 1.039 329 T CB 1.604 70.521 68.868 0.082 0.000 1.068 329 T HN 0.324 nan 8.240 nan 0.000 0.497 330 Q N 0.858 120.694 119.800 0.059 0.000 2.348 330 Q HA 0.546 4.886 4.340 -0.000 0.000 0.265 330 Q C 0.501 176.530 176.000 0.048 0.000 0.998 330 Q CA -0.167 55.668 55.803 0.053 0.000 0.831 330 Q CB 1.256 30.029 28.738 0.058 0.000 1.251 330 Q HN 1.298 nan 8.270 nan 0.000 0.456 331 A N 2.320 125.165 122.820 0.042 0.000 2.832 331 A HA -0.177 4.143 4.320 -0.000 0.000 0.280 331 A C 1.133 178.739 177.584 0.038 0.000 1.464 331 A CA 1.466 53.525 52.037 0.038 0.000 0.804 331 A CB -2.126 16.894 19.000 0.034 0.000 1.020 331 A HN 1.579 nan 8.150 nan 0.000 0.563 332 G N -1.269 107.558 108.800 0.045 0.000 2.153 332 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.252 332 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.252 332 G C -0.085 174.841 174.900 0.043 0.000 0.994 332 G CA 0.963 46.091 45.100 0.046 0.000 0.698 332 G HN 1.636 nan 8.290 nan 0.000 0.521 333 D N 0.649 121.079 120.400 0.050 0.000 2.352 333 D HA 0.336 4.976 4.640 -0.000 0.000 0.245 333 D C 1.546 177.887 176.300 0.068 0.000 1.224 333 D CA 0.347 54.377 54.000 0.050 0.000 0.879 333 D CB 0.971 41.802 40.800 0.052 0.000 1.057 333 D HN 0.662 nan 8.370 nan 0.000 0.491 334 V N 1.474 121.428 119.914 0.067 0.000 3.271 334 V HA 0.243 4.363 4.120 -0.000 0.000 0.327 334 V C 0.903 177.051 176.094 0.090 0.000 1.389 334 V CA -0.094 62.266 62.300 0.101 0.000 1.156 334 V CB 0.174 32.074 31.823 0.128 0.000 1.103 334 V HN 0.310 nan 8.190 nan 0.000 0.453 335 S N 0.808 116.550 115.700 0.071 0.000 2.539 335 S HA 0.620 5.090 4.470 -0.000 0.000 0.221 335 S C 1.241 175.892 174.600 0.086 0.000 0.987 335 S CA 0.351 58.592 58.200 0.070 0.000 0.929 335 S CB 0.497 63.723 63.200 0.044 0.000 0.832 335 S HN 0.884 nan 8.310 nan 0.000 0.492 336 A N 0.658 123.536 122.820 0.096 0.000 2.366 336 A HA 0.355 4.675 4.320 -0.000 0.000 0.250 336 A C 0.781 178.472 177.584 0.178 0.000 1.099 336 A CA -0.105 52.005 52.037 0.122 0.000 0.794 336 A CB -0.165 18.903 19.000 0.112 0.000 1.056 336 A HN 0.500 nan 8.150 nan 0.000 0.499 337 Y N -0.178 120.135 120.300 0.021 0.000 2.114 337 Y HA -0.204 4.346 4.550 -0.000 0.000 0.284 337 Y C 1.810 177.681 175.900 -0.049 0.000 1.143 337 Y CA 1.553 59.647 58.100 -0.010 0.000 1.135 337 Y CB 0.007 38.459 38.460 -0.012 0.000 0.980 337 Y HN 0.501 nan 8.280 nan 0.000 0.499 338 I N 0.460 120.972 120.570 -0.097 0.000 2.193 338 I HA -0.139 4.031 4.170 -0.000 0.000 0.240 338 I C -0.576 175.528 176.117 -0.022 0.000 1.084 338 I CA 0.981 62.170 61.300 -0.184 0.000 1.365 338 I CB -2.863 35.000 38.000 -0.229 0.000 1.064 338 I HN 0.145 nan 8.210 nan 0.000 0.410 339 P HA -0.177 nan 4.420 nan 0.000 0.214 339 P C 1.865 179.216 177.300 0.085 0.000 1.172 339 P CA 2.242 65.374 63.100 0.053 0.000 0.925 339 P CB -0.260 31.489 31.700 0.082 0.000 0.793 340 T N -0.556 114.071 114.554 0.121 0.000 2.602 340 T HA -0.262 4.088 4.350 -0.000 0.000 0.264 340 T C 1.630 176.436 174.700 0.176 0.000 1.085 340 T CA 2.217 64.407 62.100 0.149 0.000 1.164 340 T CB -1.166 67.808 68.868 0.177 0.000 0.860 340 T HN 0.136 nan 8.240 nan 0.000 0.442 341 N N 0.390 119.211 118.700 0.202 0.000 2.043 341 N HA -0.078 4.662 4.740 -0.000 0.000 0.193 341 N C 1.973 177.567 175.510 0.141 0.000 1.037 341 N CA 1.108 54.326 53.050 0.279 0.000 0.851 341 N CB -0.956 37.653 38.487 0.203 0.000 1.027 341 N HN 0.241 nan 8.380 nan 0.000 0.422 342 V N 1.958 121.888 119.914 0.027 0.000 2.237 342 V HA -0.174 3.946 4.120 -0.000 0.000 0.245 342 V C 2.282 178.366 176.094 -0.017 0.000 1.046 342 V CA 1.265 63.526 62.300 -0.066 0.000 1.007 342 V CB -0.570 31.169 31.823 -0.140 0.000 0.638 342 V HN 0.262 nan 8.190 nan 0.000 0.445 343 I N 0.242 120.825 120.570 0.022 0.000 2.236 343 I HA -0.326 3.843 4.170 -0.000 0.000 0.249 343 I C 2.696 178.855 176.117 0.070 0.000 1.102 343 I CA 2.016 63.344 61.300 0.047 0.000 1.365 343 I CB -0.606 37.458 38.000 0.106 0.000 1.051 343 I HN 0.345 nan 8.210 nan 0.000 0.420 344 S N 0.820 116.588 115.700 0.112 0.000 2.368 344 S HA -0.087 4.383 4.470 -0.000 0.000 0.224 344 S C 1.965 176.646 174.600 0.135 0.000 1.029 344 S CA 1.165 59.457 58.200 0.153 0.000 0.988 344 S CB -0.135 63.222 63.200 0.262 0.000 0.838 344 S HN 0.335 nan 8.310 nan 0.000 0.462 345 I N 1.162 121.782 120.570 0.082 0.000 2.333 345 I HA -0.042 4.128 4.170 -0.000 0.000 0.246 345 I C 1.530 177.642 176.117 -0.008 0.000 1.106 345 I CA 0.804 62.112 61.300 0.013 0.000 1.411 345 I CB -0.830 37.089 38.000 -0.135 0.000 1.082 345 I HN 0.394 nan 8.210 nan 0.000 0.420 346 T N -0.624 113.914 114.554 -0.026 0.000 2.726 346 T HA 0.097 4.447 4.350 -0.000 0.000 0.294 346 T C 0.003 174.694 174.700 -0.016 0.000 1.013 346 T CA -0.408 61.669 62.100 -0.037 0.000 0.996 346 T CB 0.842 69.672 68.868 -0.063 0.000 1.016 346 T HN 0.255 nan 8.240 nan 0.000 0.529 347 D N -1.848 118.537 120.400 -0.025 0.000 2.696 347 D HA 0.538 5.178 4.640 -0.000 0.000 0.269 347 D C 0.337 176.623 176.300 -0.024 0.000 1.319 347 D CA -0.608 53.384 54.000 -0.014 0.000 0.826 347 D CB 0.202 40.995 40.800 -0.012 0.000 1.086 347 D HN 0.969 nan 8.370 nan 0.000 0.481 348 G N -0.533 108.242 108.800 -0.042 0.000 2.368 348 G HA2 0.487 4.446 3.960 -0.000 0.000 0.293 348 G HA3 0.487 4.446 3.960 -0.000 0.000 0.293 348 G C -2.065 172.755 174.900 -0.133 0.000 1.467 348 G CA -0.964 44.101 45.100 -0.058 0.000 0.804 348 G HN -0.002 nan 8.290 nan 0.000 0.535 349 Q N -0.628 119.048 119.800 -0.206 0.000 2.345 349 Q HA 0.638 4.978 4.340 -0.000 0.000 0.275 349 Q C -0.716 174.991 176.000 -0.488 0.000 1.063 349 Q CA -0.452 55.044 55.803 -0.511 0.000 0.819 349 Q CB 2.878 31.002 28.738 -1.023 0.000 1.356 349 Q HN 0.561 nan 8.270 nan 0.000 0.418 350 I N 3.280 123.563 120.570 -0.478 0.000 2.371 350 I HA 0.376 4.546 4.170 -0.000 0.000 0.282 350 I C -0.950 174.976 176.117 -0.319 0.000 1.031 350 I CA -0.551 60.585 61.300 -0.274 0.000 1.180 350 I CB 0.374 38.288 38.000 -0.144 0.000 1.336 350 I HN 0.480 nan 8.210 nan 0.000 0.467 351 F N 6.394 126.346 119.950 0.004 0.000 2.394 351 F HA 0.493 5.020 4.527 -0.000 0.000 0.340 351 F C 0.224 176.031 175.800 0.011 0.000 1.105 351 F CA -0.509 57.495 58.000 0.007 0.000 1.124 351 F CB 0.812 39.818 39.000 0.009 0.000 1.145 351 F HN 0.156 nan 8.300 nan 0.000 0.505 352 L N 3.017 124.342 121.223 0.171 0.000 2.334 352 L HA 0.588 4.928 4.340 -0.000 0.000 0.276 352 L C -0.585 176.353 176.870 0.114 0.000 1.014 352 L CA -0.769 54.140 54.840 0.116 0.000 0.815 352 L CB 2.011 44.116 42.059 0.076 0.000 1.268 352 L HN 0.614 nan 8.230 nan 0.000 0.428 353 E N 0.229 120.488 120.200 0.099 0.000 2.293 353 E HA 0.274 4.623 4.350 -0.000 0.000 0.270 353 E C -0.111 176.538 176.600 0.081 0.000 0.879 353 E CA -0.503 55.947 56.400 0.083 0.000 0.756 353 E CB 2.377 32.123 29.700 0.076 0.000 1.208 353 E HN 0.605 nan 8.360 nan 0.000 0.428 354 T N 0.748 115.337 114.554 0.059 0.000 2.821 354 T HA -0.146 4.204 4.350 -0.000 0.000 0.267 354 T C 1.202 175.981 174.700 0.133 0.000 1.046 354 T CA 1.213 63.336 62.100 0.039 0.000 1.139 354 T CB -0.101 68.801 68.868 0.058 0.000 0.871 354 T HN 0.375 nan 8.240 nan 0.000 0.454 355 E N 1.971 122.259 120.200 0.147 0.000 2.072 355 E HA 0.044 4.394 4.350 -0.000 0.000 0.191 355 E C 2.163 178.853 176.600 0.151 0.000 0.985 355 E CA 0.529 57.034 56.400 0.175 0.000 0.801 355 E CB -0.888 28.884 29.700 0.120 0.000 0.750 355 E HN 0.363 nan 8.360 nan 0.000 0.452 356 L N -0.019 121.268 121.223 0.107 0.000 1.971 356 L HA -0.194 4.146 4.340 -0.000 0.000 0.215 356 L C 2.388 179.294 176.870 0.061 0.000 1.072 356 L CA 1.681 56.567 54.840 0.076 0.000 0.758 356 L CB -0.595 41.502 42.059 0.062 0.000 0.889 356 L HN 0.119 nan 8.230 nan 0.000 0.433 357 F N -0.111 119.773 119.950 -0.109 0.000 2.085 357 F HA -0.359 4.167 4.527 -0.000 0.000 0.299 357 F C 2.267 177.932 175.800 -0.225 0.000 1.096 357 F CA 1.960 59.815 58.000 -0.242 0.000 1.227 357 F CB -0.259 38.469 39.000 -0.453 0.000 0.983 357 F HN -0.023 nan 8.300 nan 0.000 0.482 358 Y N -0.903 119.574 120.300 0.296 0.000 2.503 358 Y HA 0.027 4.577 4.550 -0.000 0.000 0.278 358 Y C 2.185 178.137 175.900 0.086 0.000 1.111 358 Y CA 0.277 58.505 58.100 0.214 0.000 1.270 358 Y CB -0.178 38.397 38.460 0.193 0.000 1.063 358 Y HN -0.115 nan 8.280 nan 0.000 0.548 359 K N -0.433 120.084 120.400 0.196 0.000 2.209 359 K HA -0.059 4.261 4.320 -0.000 0.000 0.204 359 K C 1.563 178.198 176.600 0.059 0.000 1.048 359 K CA 1.325 57.681 56.287 0.114 0.000 0.940 359 K CB -0.127 32.426 32.500 0.089 0.000 0.729 359 K HN 0.500 nan 8.250 nan 0.000 0.451 360 G N -0.068 108.734 108.800 0.004 0.000 3.134 360 G HA2 -0.150 3.810 3.960 -0.000 0.000 0.195 360 G HA3 -0.150 3.810 3.960 -0.000 0.000 0.195 360 G C -0.025 174.802 174.900 -0.122 0.000 1.054 360 G CA -0.382 44.684 45.100 -0.056 0.000 0.828 360 G HN 0.052 nan 8.290 nan 0.000 0.462 361 I N 3.110 123.630 120.570 -0.084 0.000 3.446 361 I HA 0.064 4.234 4.170 -0.000 0.000 0.294 361 I C 0.563 176.564 176.117 -0.194 0.000 1.185 361 I CA 1.084 62.328 61.300 -0.095 0.000 1.617 361 I CB -1.607 36.373 38.000 -0.034 0.000 1.576 361 I HN 0.237 nan 8.210 nan 0.000 0.741 362 R N 7.359 127.715 120.500 -0.239 0.000 2.532 362 R HA 0.424 4.764 4.340 -0.000 0.000 0.297 362 R C -2.419 173.776 176.300 -0.175 0.000 0.984 362 R CA -1.678 54.236 56.100 -0.311 0.000 0.884 362 R CB 2.421 32.409 30.300 -0.521 0.000 1.182 362 R HN 0.242 nan 8.270 nan 0.000 0.442 363 P HA -0.030 nan 4.420 nan 0.000 0.268 363 P C -0.517 176.737 177.300 -0.078 0.000 1.208 363 P CA -0.113 62.929 63.100 -0.097 0.000 0.777 363 P CB 0.808 32.476 31.700 -0.053 0.000 0.875 364 A N 4.003 126.806 122.820 -0.029 0.000 3.202 364 A HA 0.297 4.617 4.320 -0.000 0.000 0.258 364 A C 0.617 178.228 177.584 0.044 0.000 1.572 364 A CA -0.515 51.529 52.037 0.011 0.000 1.241 364 A CB -1.260 17.800 19.000 0.100 0.000 1.127 364 A HN 0.458 nan 8.150 nan 0.000 0.648 365 I N 1.641 122.228 120.570 0.029 0.000 2.301 365 I HA 0.053 4.223 4.170 -0.000 0.000 0.292 365 I C 0.341 176.498 176.117 0.067 0.000 1.046 365 I CA -0.535 60.795 61.300 0.050 0.000 1.282 365 I CB 0.697 38.715 38.000 0.030 0.000 1.409 365 I HN 0.416 nan 8.210 nan 0.000 0.484 366 N N 6.818 125.578 118.700 0.100 0.000 2.406 366 N HA -0.005 4.735 4.740 -0.000 0.000 0.274 366 N C 0.647 176.219 175.510 0.104 0.000 1.249 366 N CA 0.180 53.286 53.050 0.095 0.000 0.951 366 N CB 1.234 39.776 38.487 0.093 0.000 1.241 366 N HN 0.401 nan 8.380 nan 0.000 0.485 367 V N 3.196 123.153 119.914 0.073 0.000 3.444 367 V HA -0.004 4.116 4.120 -0.000 0.000 0.271 367 V C 1.976 178.108 176.094 0.063 0.000 1.188 367 V CA 1.510 63.850 62.300 0.067 0.000 1.168 367 V CB -0.342 31.511 31.823 0.050 0.000 0.810 367 V HN 0.739 nan 8.190 nan 0.000 0.500 368 G N -0.288 108.544 108.800 0.053 0.000 2.490 368 G HA2 0.004 3.963 3.960 -0.000 0.000 0.211 368 G HA3 0.004 3.963 3.960 -0.000 0.000 0.211 368 G C 1.396 176.317 174.900 0.035 0.000 1.159 368 G CA 0.205 45.322 45.100 0.029 0.000 0.819 368 G HN 0.461 nan 8.290 nan 0.000 0.539 369 L N 1.002 122.251 121.223 0.043 0.000 2.162 369 L HA 0.150 4.490 4.340 -0.000 0.000 0.205 369 L C 1.406 178.483 176.870 0.345 0.000 1.086 369 L CA -0.006 54.836 54.840 0.003 0.000 0.778 369 L CB -0.614 41.239 42.059 -0.344 0.000 0.928 369 L HN -0.009 nan 8.230 nan 0.000 0.446 370 S N 0.092 116.039 115.700 0.413 0.000 2.558 370 S HA 0.241 4.711 4.470 -0.000 0.000 0.287 370 S C -0.183 174.528 174.600 0.186 0.000 1.321 370 S CA -0.030 58.361 58.200 0.318 0.000 1.048 370 S CB 1.544 64.838 63.200 0.156 0.000 0.844 370 S HN 0.122 nan 8.310 nan 0.000 0.512 371 V N 1.573 121.551 119.914 0.106 0.000 3.167 371 V HA 0.688 4.808 4.120 -0.000 0.000 0.293 371 V C -1.301 174.801 176.094 0.013 0.000 1.379 371 V CA -0.532 61.808 62.300 0.066 0.000 1.019 371 V CB 2.478 34.359 31.823 0.096 0.000 1.115 371 V HN 0.844 nan 8.190 nan 0.000 0.442 372 S N 4.823 120.528 115.700 0.008 0.000 2.707 372 S HA 0.531 5.001 4.470 -0.000 0.000 0.303 372 S C 0.580 175.179 174.600 -0.001 0.000 1.132 372 S CA -0.641 57.554 58.200 -0.009 0.000 1.046 372 S CB 1.520 64.709 63.200 -0.019 0.000 1.004 372 S HN 0.796 nan 8.310 nan 0.000 0.483 373 R N 2.998 123.498 120.500 -0.001 0.000 2.285 373 R HA 0.008 4.348 4.340 -0.000 0.000 0.213 373 R C 1.379 177.677 176.300 -0.004 0.000 1.068 373 R CA 0.887 56.989 56.100 0.003 0.000 1.004 373 R CB -0.306 29.998 30.300 0.007 0.000 0.873 373 R HN 0.528 nan 8.270 nan 0.000 0.467 374 V N 0.037 119.944 119.914 -0.011 0.000 2.379 374 V HA 0.045 4.165 4.120 -0.000 0.000 0.243 374 V C 1.692 177.779 176.094 -0.012 0.000 1.035 374 V CA 1.470 63.761 62.300 -0.015 0.000 1.035 374 V CB -0.672 31.136 31.823 -0.025 0.000 0.673 374 V HN 0.651 nan 8.190 nan 0.000 0.457 375 G N 0.746 109.539 108.800 -0.012 0.000 2.556 375 G HA2 -0.377 3.583 3.960 -0.000 0.000 0.283 375 G HA3 -0.377 3.583 3.960 -0.000 0.000 0.283 375 G C 1.078 175.973 174.900 -0.008 0.000 1.177 375 G CA 0.678 45.774 45.100 -0.007 0.000 0.978 375 G HN 0.512 nan 8.290 nan 0.000 0.554 376 S N 0.652 116.350 115.700 -0.004 0.000 2.402 376 S HA -0.022 4.448 4.470 -0.000 0.000 0.233 376 S C 2.695 177.291 174.600 -0.006 0.000 1.030 376 S CA 2.483 60.681 58.200 -0.003 0.000 1.003 376 S CB -0.647 62.553 63.200 0.000 0.000 0.813 376 S HN 1.848 nan 8.310 nan 0.000 0.477 377 A N 1.036 123.851 122.820 -0.008 0.000 2.125 377 A HA 0.332 4.652 4.320 -0.000 0.000 0.219 377 A C 2.007 179.581 177.584 -0.017 0.000 1.156 377 A CA 1.260 53.291 52.037 -0.011 0.000 0.671 377 A CB -0.609 18.384 19.000 -0.011 0.000 0.794 377 A HN 0.581 nan 8.150 nan 0.000 0.459 378 A N -1.373 121.434 122.820 -0.021 0.000 2.379 378 A HA 0.366 4.686 4.320 -0.000 0.000 0.236 378 A C 0.664 178.232 177.584 -0.027 0.000 1.272 378 A CA -0.175 51.844 52.037 -0.031 0.000 0.886 378 A CB 0.004 18.980 19.000 -0.039 0.000 0.962 378 A HN 0.559 nan 8.150 nan 0.000 0.504 379 Q N 0.157 119.948 119.800 -0.015 0.000 2.345 379 Q HA 0.416 4.756 4.340 -0.000 0.000 0.268 379 Q C 0.029 176.029 176.000 -0.001 0.000 1.054 379 Q CA -0.499 55.300 55.803 -0.007 0.000 0.835 379 Q CB 1.911 30.648 28.738 -0.002 0.000 1.339 379 Q HN 0.417 nan 8.270 nan 0.000 0.447 380 T N -0.621 113.936 114.554 0.006 0.000 2.860 380 T HA 0.097 4.447 4.350 -0.000 0.000 0.299 380 T C 0.975 175.682 174.700 0.013 0.000 1.045 380 T CA -0.122 61.985 62.100 0.012 0.000 1.071 380 T CB 1.025 69.904 68.868 0.020 0.000 0.985 380 T HN 0.687 nan 8.240 nan 0.000 0.537 381 R N 2.115 122.623 120.500 0.013 0.000 2.081 381 R HA 0.063 4.403 4.340 -0.000 0.000 0.235 381 R C 2.647 178.958 176.300 0.019 0.000 1.131 381 R CA 1.947 58.055 56.100 0.014 0.000 0.960 381 R CB -1.229 29.079 30.300 0.013 0.000 0.856 381 R HN 0.868 nan 8.270 nan 0.000 0.436 382 A N 0.685 123.516 122.820 0.018 0.000 1.852 382 A HA -0.319 4.000 4.320 -0.000 0.000 0.217 382 A C 2.127 179.730 177.584 0.032 0.000 1.215 382 A CA 2.259 54.310 52.037 0.023 0.000 0.641 382 A CB -0.932 18.077 19.000 0.015 0.000 0.838 382 A HN 0.468 nan 8.150 nan 0.000 0.450 383 M N -0.139 119.478 119.600 0.027 0.000 2.089 383 M HA -0.216 4.264 4.480 -0.000 0.000 0.257 383 M C 1.939 178.254 176.300 0.025 0.000 1.071 383 M CA 2.461 57.778 55.300 0.028 0.000 1.096 383 M CB -0.665 31.948 32.600 0.022 0.000 1.330 383 M HN 0.470 nan 8.290 nan 0.000 0.403 384 K N -0.344 120.068 120.400 0.020 0.000 2.113 384 K HA -0.235 4.085 4.320 -0.000 0.000 0.208 384 K C 1.745 178.357 176.600 0.021 0.000 1.047 384 K CA 1.990 58.287 56.287 0.016 0.000 0.928 384 K CB -0.202 32.306 32.500 0.013 0.000 0.716 384 K HN 0.767 nan 8.250 nan 0.000 0.446 385 Q N -0.272 119.546 119.800 0.030 0.000 2.403 385 Q HA -0.011 4.329 4.340 -0.000 0.000 0.203 385 Q C 1.440 177.467 176.000 0.045 0.000 0.932 385 Q CA 0.678 56.503 55.803 0.036 0.000 0.945 385 Q CB 0.525 29.289 28.738 0.045 0.000 1.045 385 Q HN 0.280 nan 8.270 nan 0.000 0.511 386 V N -4.415 115.526 119.914 0.045 0.000 3.090 386 V HA 0.376 4.496 4.120 -0.000 0.000 0.237 386 V C 2.226 178.327 176.094 0.012 0.000 1.209 386 V CA 0.561 62.883 62.300 0.036 0.000 1.209 386 V CB -0.308 31.560 31.823 0.075 0.000 0.971 386 V HN 0.157 nan 8.190 nan 0.000 0.477 387 A N 1.828 124.658 122.820 0.016 0.000 1.892 387 A HA 0.004 4.324 4.320 -0.000 0.000 0.218 387 A C 2.377 179.962 177.584 0.001 0.000 1.188 387 A CA 2.629 54.670 52.037 0.007 0.000 0.631 387 A CB -1.668 17.338 19.000 0.010 0.000 0.822 387 A HN 0.914 nan 8.150 nan 0.000 0.447 388 G N -0.724 108.078 108.800 0.003 0.000 2.672 388 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.218 388 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.218 388 G C 1.620 176.516 174.900 -0.008 0.000 1.238 388 G CA 2.103 47.203 45.100 -0.000 0.000 0.791 388 G HN 0.443 nan 8.290 nan 0.000 0.606 389 T N 1.053 115.599 114.554 -0.014 0.000 2.570 389 T HA -0.310 4.039 4.350 -0.000 0.000 0.266 389 T C 2.236 176.917 174.700 -0.030 0.000 1.071 389 T CA 1.905 63.989 62.100 -0.028 0.000 1.172 389 T CB -0.423 68.418 68.868 -0.045 0.000 0.864 389 T HN 0.332 nan 8.240 nan 0.000 0.421 390 M N 1.163 120.743 119.600 -0.033 0.000 2.124 390 M HA -0.309 4.171 4.480 -0.000 0.000 0.253 390 M C 2.295 178.586 176.300 -0.015 0.000 1.077 390 M CA 2.212 57.494 55.300 -0.031 0.000 1.085 390 M CB -0.270 32.314 32.600 -0.026 0.000 1.320 390 M HN 0.178 nan 8.290 nan 0.000 0.404 391 K N -0.050 120.346 120.400 -0.006 0.000 2.020 391 K HA -0.252 4.068 4.320 -0.000 0.000 0.212 391 K C 1.975 178.579 176.600 0.006 0.000 1.050 391 K CA 2.040 58.330 56.287 0.004 0.000 0.929 391 K CB -0.526 31.977 32.500 0.005 0.000 0.714 391 K HN 0.436 nan 8.250 nan 0.000 0.443 392 L N 1.991 123.213 121.223 -0.001 0.000 2.046 392 L HA -0.153 4.187 4.340 -0.000 0.000 0.208 392 L C 1.796 178.667 176.870 0.002 0.000 1.077 392 L CA 1.857 56.695 54.840 -0.002 0.000 0.747 392 L CB -0.631 41.422 42.059 -0.009 0.000 0.896 392 L HN 0.278 nan 8.230 nan 0.000 0.432 393 E N -0.579 119.618 120.200 -0.005 0.000 2.072 393 E HA -0.200 4.150 4.350 -0.000 0.000 0.191 393 E C 2.307 178.929 176.600 0.037 0.000 0.985 393 E CA 1.319 57.718 56.400 -0.002 0.000 0.801 393 E CB -0.250 29.430 29.700 -0.034 0.000 0.750 393 E HN 0.493 nan 8.360 nan 0.000 0.452 394 L N 0.725 121.972 121.223 0.039 0.000 2.083 394 L HA -0.179 4.161 4.340 -0.000 0.000 0.209 394 L C 2.539 179.479 176.870 0.117 0.000 1.083 394 L CA 0.896 55.798 54.840 0.104 0.000 0.752 394 L CB -0.370 41.730 42.059 0.069 0.000 0.899 394 L HN 0.137 nan 8.230 nan 0.000 0.433 395 A N -0.363 122.488 122.820 0.052 0.000 1.883 395 A HA -0.277 4.043 4.320 -0.000 0.000 0.217 395 A C 2.203 179.790 177.584 0.005 0.000 1.186 395 A CA 1.779 53.829 52.037 0.022 0.000 0.624 395 A CB -0.486 18.519 19.000 0.008 0.000 0.822 395 A HN 0.493 nan 8.150 nan 0.000 0.444 396 Q N -1.965 117.845 119.800 0.016 0.000 2.020 396 Q HA -0.211 4.128 4.340 -0.000 0.000 0.202 396 Q C 2.062 178.067 176.000 0.007 0.000 0.982 396 Q CA 1.697 57.500 55.803 -0.001 0.000 0.838 396 Q CB -0.493 28.249 28.738 0.007 0.000 0.899 396 Q HN 0.788 nan 8.270 nan 0.000 0.423 397 Y N 1.777 122.039 120.300 -0.062 0.000 2.173 397 Y HA -0.313 4.237 4.550 -0.000 0.000 0.282 397 Y C 2.068 177.922 175.900 -0.076 0.000 1.192 397 Y CA 1.732 59.792 58.100 -0.066 0.000 1.176 397 Y CB -0.116 38.314 38.460 -0.050 0.000 0.969 397 Y HN -0.058 nan 8.280 nan 0.000 0.519 398 R N 0.018 120.393 120.500 -0.209 0.000 2.066 398 R HA -0.141 4.198 4.340 -0.000 0.000 0.232 398 R C 2.236 178.370 176.300 -0.276 0.000 1.131 398 R CA 1.602 57.526 56.100 -0.295 0.000 0.955 398 R CB -0.304 29.927 30.300 -0.114 0.000 0.851 398 R HN 0.447 nan 8.270 nan 0.000 0.432 399 E N -0.335 119.748 120.200 -0.195 0.000 2.331 399 E HA -0.147 4.203 4.350 -0.000 0.000 0.199 399 E C 1.094 177.513 176.600 -0.302 0.000 1.008 399 E CA 0.853 57.139 56.400 -0.191 0.000 0.843 399 E CB 0.277 29.898 29.700 -0.131 0.000 0.761 399 E HN 0.064 nan 8.360 nan 0.000 0.507 400 V N -0.906 118.781 119.914 -0.379 0.000 3.252 400 V HA 0.301 4.421 4.120 -0.000 0.000 0.320 400 V C 1.234 176.996 176.094 -0.553 0.000 1.459 400 V CA 0.654 62.611 62.300 -0.571 0.000 1.095 400 V CB 0.604 32.193 31.823 -0.390 0.000 0.997 400 V HN 0.230 nan 8.190 nan 0.000 0.469 401 A N 0.572 123.107 122.820 -0.475 0.000 1.972 401 A HA -0.041 4.279 4.320 -0.000 0.000 0.219 401 A C 2.371 179.843 177.584 -0.188 0.000 1.169 401 A CA 1.959 53.750 52.037 -0.411 0.000 0.635 401 A CB -0.565 18.158 19.000 -0.462 0.000 0.810 401 A HN 0.991 nan 8.150 nan 0.000 0.446 402 A N -0.524 122.194 122.820 -0.170 0.000 1.958 402 A HA -0.134 4.186 4.320 -0.000 0.000 0.221 402 A C 1.587 179.389 177.584 0.364 0.000 1.178 402 A CA 1.784 53.881 52.037 0.100 0.000 0.642 402 A CB -0.755 18.360 19.000 0.191 0.000 0.816 402 A HN 0.518 nan 8.150 nan 0.000 0.453 403 F N -0.337 119.627 119.950 0.024 0.000 2.773 403 F HA 0.356 4.883 4.527 0.000 0.000 0.304 403 F C 2.329 178.158 175.800 0.049 0.000 1.129 403 F CA -0.630 57.404 58.000 0.056 0.000 1.378 403 F CB -1.623 37.402 39.000 0.041 0.000 1.095 403 F HN 0.285 nan 8.300 nan 0.000 0.565 404 A N 0.518 123.452 122.820 0.191 0.000 1.869 404 A HA -0.232 4.088 4.320 -0.000 0.000 0.218 404 A C 2.311 179.952 177.584 0.096 0.000 1.203 404 A CA 1.742 53.852 52.037 0.121 0.000 0.638 404 A CB -0.532 18.517 19.000 0.083 0.000 0.831 404 A HN 0.276 nan 8.150 nan 0.000 0.450 405 Q N -0.889 118.963 119.800 0.086 0.000 1.822 405 Q HA -0.009 4.331 4.340 -0.000 0.000 0.251 405 Q C 1.133 177.093 176.000 -0.065 0.000 0.969 405 Q CA 0.875 56.661 55.803 -0.027 0.000 0.875 405 Q CB -0.963 27.748 28.738 -0.046 0.000 0.917 405 Q HN 0.616 nan 8.270 nan 0.000 0.428 406 F N 1.205 121.180 119.950 0.042 0.000 2.660 406 F HA 0.197 4.723 4.527 -0.000 0.000 0.342 406 F C 0.657 176.443 175.800 -0.023 0.000 1.222 406 F CA 0.351 58.350 58.000 -0.002 0.000 1.396 406 F CB -0.266 38.716 39.000 -0.031 0.000 1.466 406 F HN 0.174 nan 8.300 nan 0.000 0.588 407 G N -0.805 108.068 108.800 0.121 0.000 4.775 407 G HA2 0.133 4.093 3.960 -0.000 0.000 0.222 407 G HA3 0.133 4.093 3.960 -0.000 0.000 0.222 407 G C -0.053 174.894 174.900 0.079 0.000 0.974 407 G CA -0.494 44.671 45.100 0.107 0.000 0.614 407 G HN 0.131 nan 8.290 nan 0.000 0.427 408 S N 0.834 116.557 115.700 0.038 0.000 2.526 408 S HA 0.378 4.848 4.470 -0.000 0.000 0.247 408 S C -0.191 174.423 174.600 0.023 0.000 1.076 408 S CA -0.098 58.117 58.200 0.024 0.000 1.105 408 S CB -0.144 63.054 63.200 -0.003 0.000 0.793 408 S HN 0.785 nan 8.310 nan 0.000 0.458 409 D N -0.235 120.184 120.400 0.033 0.000 2.842 409 D HA 0.315 4.955 4.640 -0.000 0.000 0.178 409 D C -1.031 175.285 176.300 0.027 0.000 1.244 409 D CA -0.715 53.300 54.000 0.025 0.000 1.403 409 D CB -0.778 40.032 40.800 0.016 0.000 1.293 409 D HN 0.114 nan 8.370 nan 0.000 0.680 410 L N -1.478 119.769 121.223 0.041 0.000 2.671 410 L HA 0.605 4.944 4.340 -0.000 0.000 0.259 410 L C -0.899 176.006 176.870 0.057 0.000 1.021 410 L CA -1.301 53.569 54.840 0.049 0.000 0.871 410 L CB 0.322 42.431 42.059 0.082 0.000 1.472 410 L HN 0.174 nan 8.230 nan 0.000 0.410 411 D N 0.855 121.290 120.400 0.059 0.000 2.793 411 D HA -0.048 4.592 4.640 -0.000 0.000 0.230 411 D C 1.274 177.602 176.300 0.047 0.000 1.139 411 D CA 0.730 54.759 54.000 0.048 0.000 0.838 411 D CB 0.658 41.489 40.800 0.052 0.000 1.149 411 D HN 0.919 nan 8.370 nan 0.000 0.526 412 A N 2.998 125.837 122.820 0.033 0.000 2.139 412 A HA -0.069 4.251 4.320 -0.000 0.000 0.221 412 A C 2.245 179.844 177.584 0.025 0.000 1.159 412 A CA 1.837 53.889 52.037 0.026 0.000 0.662 412 A CB -0.459 18.551 19.000 0.017 0.000 0.796 412 A HN 0.755 nan 8.150 nan 0.000 0.463 413 A N -0.454 122.382 122.820 0.027 0.000 1.898 413 A HA -0.069 4.251 4.320 -0.000 0.000 0.216 413 A C 2.369 179.970 177.584 0.029 0.000 1.181 413 A CA 2.307 54.358 52.037 0.023 0.000 0.620 413 A CB -0.951 18.063 19.000 0.023 0.000 0.819 413 A HN 0.828 nan 8.150 nan 0.000 0.442 414 T N -3.718 110.864 114.554 0.047 0.000 3.037 414 T HA 0.067 4.417 4.350 -0.000 0.000 0.251 414 T C 1.737 176.476 174.700 0.065 0.000 1.079 414 T CA 0.915 63.048 62.100 0.055 0.000 1.067 414 T CB -0.038 68.878 68.868 0.079 0.000 0.948 414 T HN 0.430 nan 8.240 nan 0.000 0.496 415 Q N 0.590 120.428 119.800 0.063 0.000 2.234 415 Q HA -0.185 4.154 4.340 -0.000 0.000 0.206 415 Q C 2.392 178.416 176.000 0.039 0.000 0.980 415 Q CA 1.580 57.417 55.803 0.058 0.000 0.869 415 Q CB -0.193 28.572 28.738 0.045 0.000 0.912 415 Q HN 0.568 nan 8.270 nan 0.000 0.436 416 Q N 0.352 120.168 119.800 0.026 0.000 1.993 416 Q HA -0.158 4.182 4.340 -0.000 0.000 0.202 416 Q C 1.859 177.864 176.000 0.009 0.000 0.984 416 Q CA 1.958 57.764 55.803 0.006 0.000 0.837 416 Q CB -0.455 28.282 28.738 -0.003 0.000 0.902 416 Q HN 0.534 nan 8.270 nan 0.000 0.423 417 L N -0.190 121.050 121.223 0.028 0.000 2.042 417 L HA -0.197 4.143 4.340 -0.000 0.000 0.210 417 L C 2.355 179.294 176.870 0.115 0.000 1.076 417 L CA 0.681 55.552 54.840 0.051 0.000 0.749 417 L CB -0.849 41.243 42.059 0.055 0.000 0.893 417 L HN 0.235 nan 8.230 nan 0.000 0.432 418 L N 0.044 121.355 121.223 0.146 0.000 1.990 418 L HA -0.241 4.099 4.340 -0.000 0.000 0.213 418 L C 2.800 179.689 176.870 0.033 0.000 1.072 418 L CA 1.835 56.804 54.840 0.216 0.000 0.755 418 L CB -0.857 41.298 42.059 0.159 0.000 0.889 418 L HN 0.158 nan 8.230 nan 0.000 0.432 419 S N -1.221 114.474 115.700 -0.008 0.000 2.343 419 S HA -0.240 4.230 4.470 -0.000 0.000 0.219 419 S C 2.068 176.590 174.600 -0.130 0.000 1.033 419 S CA 1.366 59.529 58.200 -0.062 0.000 1.014 419 S CB -0.319 62.856 63.200 -0.042 0.000 0.915 419 S HN 0.292 nan 8.310 nan 0.000 0.435 420 R N 1.590 122.018 120.500 -0.120 0.000 2.096 420 R HA -0.081 4.259 4.340 -0.000 0.000 0.240 420 R C 2.260 178.409 176.300 -0.252 0.000 1.139 420 R CA 2.107 58.116 56.100 -0.152 0.000 0.952 420 R CB -1.404 28.830 30.300 -0.111 0.000 0.854 420 R HN 0.388 nan 8.270 nan 0.000 0.436 421 G N -0.161 108.418 108.800 -0.368 0.000 2.514 421 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.217 421 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.217 421 G C 1.462 175.762 174.900 -1.000 0.000 1.198 421 G CA 1.815 46.369 45.100 -0.910 0.000 0.780 421 G HN 0.415 nan 8.290 nan 0.000 0.565 422 V N -1.330 118.121 119.914 -0.771 0.000 2.759 422 V HA 0.053 4.173 4.120 -0.000 0.000 0.256 422 V C 2.511 178.449 176.094 -0.261 0.000 1.080 422 V CA 2.073 64.114 62.300 -0.431 0.000 1.101 422 V CB -0.526 31.185 31.823 -0.187 0.000 0.698 422 V HN 0.312 nan 8.190 nan 0.000 0.477 423 R N -0.193 120.162 120.500 -0.243 0.000 2.052 423 R HA 0.238 4.577 4.340 -0.000 0.000 0.224 423 R C 2.440 178.652 176.300 -0.147 0.000 1.149 423 R CA 1.527 57.532 56.100 -0.159 0.000 0.962 423 R CB -0.470 29.744 30.300 -0.143 0.000 0.856 423 R HN 0.430 nan 8.270 nan 0.000 0.433 424 L N 0.258 121.377 121.223 -0.172 0.000 2.064 424 L HA -0.296 4.044 4.340 -0.000 0.000 0.216 424 L C 2.321 179.122 176.870 -0.114 0.000 1.077 424 L CA 1.636 56.395 54.840 -0.135 0.000 0.766 424 L CB -0.743 41.231 42.059 -0.142 0.000 0.890 424 L HN 0.330 nan 8.230 nan 0.000 0.435 425 T N -1.142 113.318 114.554 -0.155 0.000 2.746 425 T HA -0.162 4.188 4.350 -0.000 0.000 0.267 425 T C 1.783 176.444 174.700 -0.065 0.000 1.039 425 T CA 1.104 63.145 62.100 -0.098 0.000 1.142 425 T CB -0.107 68.696 68.868 -0.108 0.000 0.866 425 T HN 0.310 nan 8.240 nan 0.000 0.444 426 E N 0.932 121.088 120.200 -0.073 0.000 2.153 426 E HA -0.020 4.330 4.350 -0.000 0.000 0.194 426 E C 2.188 178.768 176.600 -0.033 0.000 0.988 426 E CA 0.669 57.042 56.400 -0.044 0.000 0.811 426 E CB -0.279 29.398 29.700 -0.038 0.000 0.746 426 E HN 0.487 nan 8.360 nan 0.000 0.466 427 L N 0.258 121.457 121.223 -0.041 0.000 2.291 427 L HA -0.082 4.258 4.340 -0.000 0.000 0.214 427 L C 2.213 179.069 176.870 -0.024 0.000 1.120 427 L CA 0.467 55.291 54.840 -0.027 0.000 0.799 427 L CB -0.146 41.892 42.059 -0.034 0.000 0.925 427 L HN 0.077 nan 8.230 nan 0.000 0.446 428 L N -0.676 120.530 121.223 -0.029 0.000 2.591 428 L HA 0.023 4.363 4.340 -0.000 0.000 0.228 428 L C 0.759 177.611 176.870 -0.030 0.000 1.133 428 L CA 0.164 54.989 54.840 -0.024 0.000 0.880 428 L CB -0.207 41.840 42.059 -0.020 0.000 1.033 428 L HN 0.137 nan 8.230 nan 0.000 0.450 429 K N 1.084 121.463 120.400 -0.035 0.000 2.237 429 K HA 0.292 4.612 4.320 -0.000 0.000 0.270 429 K C -0.221 176.353 176.600 -0.042 0.000 1.015 429 K CA 0.118 56.376 56.287 -0.048 0.000 0.949 429 K CB 0.965 33.438 32.500 -0.046 0.000 0.976 429 K HN -0.031 nan 8.250 nan 0.000 0.472 430 Q N 0.173 119.939 119.800 -0.056 0.000 2.386 430 Q HA 0.331 4.671 4.340 -0.000 0.000 0.274 430 Q C -0.980 174.982 176.000 -0.064 0.000 1.011 430 Q CA -0.625 55.150 55.803 -0.046 0.000 0.867 430 Q CB 1.875 30.590 28.738 -0.039 0.000 1.409 430 Q HN 0.802 nan 8.270 nan 0.000 0.395 431 G N 1.225 109.997 108.800 -0.047 0.000 2.562 431 G HA2 0.226 4.186 3.960 -0.000 0.000 0.275 431 G HA3 0.226 4.186 3.960 -0.000 0.000 0.275 431 G C -0.797 174.052 174.900 -0.086 0.000 1.196 431 G CA -0.239 44.829 45.100 -0.054 0.000 0.908 431 G HN 0.591 nan 8.290 nan 0.000 0.524 432 Q N -1.068 118.653 119.800 -0.131 0.000 2.299 432 Q HA 0.267 4.607 4.340 -0.000 0.000 0.246 432 Q C -0.458 175.426 176.000 -0.194 0.000 0.935 432 Q CA -0.370 55.241 55.803 -0.320 0.000 0.887 432 Q CB 0.286 28.683 28.738 -0.568 0.000 1.223 432 Q HN 0.611 nan 8.270 nan 0.000 0.439 433 Y N 0.061 120.361 120.300 0.001 0.000 3.825 433 Y HA -0.262 4.288 4.550 -0.000 0.000 0.221 433 Y C -0.172 175.729 175.900 0.002 0.000 1.195 433 Y CA 0.407 58.506 58.100 -0.000 0.000 1.699 433 Y CB -1.948 36.510 38.460 -0.003 0.000 1.531 433 Y HN 0.345 nan 8.280 nan 0.000 0.640 434 S N -0.121 115.629 115.700 0.084 0.000 2.204 434 S HA 0.299 4.769 4.470 -0.000 0.000 0.178 434 S C -2.465 172.155 174.600 0.034 0.000 1.493 434 S CA -0.932 57.303 58.200 0.058 0.000 1.266 434 S CB 0.734 63.957 63.200 0.038 0.000 1.232 434 S HN 0.004 nan 8.310 nan 0.000 0.406 435 P HA 0.235 nan 4.420 nan 0.000 0.271 435 P C -0.361 176.955 177.300 0.027 0.000 1.220 435 P CA 0.044 63.166 63.100 0.037 0.000 0.768 435 P CB 0.396 32.132 31.700 0.060 0.000 0.848 436 M N 2.012 121.624 119.600 0.020 0.000 2.409 436 M HA 0.515 4.995 4.480 -0.000 0.000 0.329 436 M C 0.569 176.875 176.300 0.010 0.000 1.180 436 M CA -0.828 54.477 55.300 0.007 0.000 1.053 436 M CB 1.460 34.063 32.600 0.006 0.000 1.586 436 M HN 0.296 nan 8.290 nan 0.000 0.461 437 A N 1.534 124.343 122.820 -0.018 0.000 2.407 437 A HA 0.190 4.510 4.320 -0.000 0.000 0.248 437 A C 0.910 178.494 177.584 -0.001 0.000 1.082 437 A CA -0.400 51.618 52.037 -0.031 0.000 0.785 437 A CB 0.087 19.037 19.000 -0.083 0.000 1.020 437 A HN 0.938 nan 8.150 nan 0.000 0.489 438 I N 0.919 121.504 120.570 0.025 0.000 2.208 438 I HA -0.224 3.946 4.170 -0.000 0.000 0.245 438 I C 2.525 178.651 176.117 0.014 0.000 1.097 438 I CA 2.377 63.698 61.300 0.035 0.000 1.363 438 I CB -0.272 37.764 38.000 0.060 0.000 1.051 438 I HN 0.858 nan 8.210 nan 0.000 0.413 439 E N 0.419 120.616 120.200 -0.005 0.000 2.106 439 E HA -0.267 4.083 4.350 -0.000 0.000 0.192 439 E C 1.829 178.422 176.600 -0.012 0.000 0.984 439 E CA 1.543 57.934 56.400 -0.015 0.000 0.806 439 E CB -0.790 28.889 29.700 -0.036 0.000 0.750 439 E HN 0.634 nan 8.360 nan 0.000 0.458 440 E N 1.145 121.335 120.200 -0.018 0.000 2.038 440 E HA -0.216 4.133 4.350 -0.000 0.000 0.195 440 E C 2.391 179.007 176.600 0.026 0.000 1.000 440 E CA 1.685 58.082 56.400 -0.006 0.000 0.803 440 E CB -0.144 29.543 29.700 -0.021 0.000 0.750 440 E HN 0.383 nan 8.360 nan 0.000 0.448 441 Q N 0.319 120.131 119.800 0.021 0.000 2.014 441 Q HA -0.203 4.137 4.340 -0.000 0.000 0.207 441 Q C 2.434 178.460 176.000 0.044 0.000 0.993 441 Q CA 1.949 57.770 55.803 0.029 0.000 0.850 441 Q CB -0.331 28.421 28.738 0.025 0.000 0.916 441 Q HN 0.171 nan 8.270 nan 0.000 0.417 442 V N 1.176 121.116 119.914 0.042 0.000 2.380 442 V HA -0.343 3.777 4.120 -0.000 0.000 0.251 442 V C 2.254 178.406 176.094 0.097 0.000 1.063 442 V CA 1.830 64.166 62.300 0.060 0.000 1.055 442 V CB -1.260 30.587 31.823 0.039 0.000 0.657 442 V HN 0.442 nan 8.190 nan 0.000 0.455 443 A N 0.261 123.132 122.820 0.085 0.000 1.835 443 A HA -0.190 4.130 4.320 -0.000 0.000 0.215 443 A C 2.500 180.184 177.584 0.166 0.000 1.199 443 A CA 2.253 54.377 52.037 0.145 0.000 0.615 443 A CB -0.994 18.114 19.000 0.181 0.000 0.838 443 A HN 0.558 nan 8.150 nan 0.000 0.444 444 V N -0.158 119.822 119.914 0.110 0.000 2.490 444 V HA -0.201 3.919 4.120 -0.000 0.000 0.250 444 V C 2.133 178.224 176.094 -0.004 0.000 1.061 444 V CA 2.277 64.569 62.300 -0.013 0.000 1.064 444 V CB -0.539 31.288 31.823 0.007 0.000 0.670 444 V HN 0.510 nan 8.190 nan 0.000 0.461 445 I N -0.834 119.761 120.570 0.041 0.000 2.286 445 I HA -0.145 4.025 4.170 -0.000 0.000 0.245 445 I C 2.431 178.574 176.117 0.043 0.000 1.104 445 I CA 2.112 63.427 61.300 0.026 0.000 1.397 445 I CB -0.577 37.441 38.000 0.029 0.000 1.072 445 I HN 0.493 nan 8.210 nan 0.000 0.417 446 Y N 2.089 122.379 120.300 -0.017 0.000 2.102 446 Y HA -0.402 4.148 4.550 -0.000 0.000 0.280 446 Y C 2.527 178.432 175.900 0.008 0.000 1.178 446 Y CA 1.710 59.812 58.100 0.004 0.000 1.146 446 Y CB -0.389 38.098 38.460 0.044 0.000 0.968 446 Y HN 0.150 nan 8.280 nan 0.000 0.504 447 A N 0.254 123.154 122.820 0.133 0.000 1.859 447 A HA -0.216 4.104 4.320 -0.000 0.000 0.217 447 A C 2.488 180.031 177.584 -0.069 0.000 1.198 447 A CA 2.304 54.380 52.037 0.065 0.000 0.629 447 A CB -1.793 17.144 19.000 -0.106 0.000 0.830 447 A HN 0.634 nan 8.150 nan 0.000 0.446 448 G N -1.598 107.142 108.800 -0.100 0.000 2.394 448 G HA2 0.000 3.960 3.960 -0.000 0.000 0.215 448 G HA3 0.000 3.960 3.960 -0.000 0.000 0.215 448 G C 1.485 176.265 174.900 -0.200 0.000 1.165 448 G CA 0.962 45.979 45.100 -0.139 0.000 0.784 448 G HN 0.479 nan 8.290 nan 0.000 0.535 449 V N 0.320 120.116 119.914 -0.198 0.000 3.141 449 V HA 0.126 4.246 4.120 -0.000 0.000 0.265 449 V C 2.133 178.044 176.094 -0.303 0.000 1.126 449 V CA 0.940 63.118 62.300 -0.203 0.000 1.141 449 V CB -0.347 31.393 31.823 -0.139 0.000 0.743 449 V HN 0.237 nan 8.190 nan 0.000 0.492 450 R N -1.068 119.148 120.500 -0.473 0.000 2.468 450 R HA 0.305 4.644 4.340 -0.000 0.000 0.280 450 R C 1.427 177.253 176.300 -0.789 0.000 0.963 450 R CA 0.735 56.429 56.100 -0.677 0.000 1.083 450 R CB 0.805 30.500 30.300 -1.008 0.000 1.200 450 R HN 0.575 nan 8.270 nan 0.000 0.541 451 G N 0.643 109.128 108.800 -0.525 0.000 2.956 451 G HA2 -0.403 3.557 3.960 -0.000 0.000 0.210 451 G HA3 -0.403 3.557 3.960 -0.000 0.000 0.210 451 G C 0.883 175.609 174.900 -0.290 0.000 1.316 451 G CA 0.170 45.035 45.100 -0.392 0.000 0.819 451 G HN 0.382 nan 8.290 nan 0.000 0.544 452 Y N 1.137 121.351 120.300 -0.143 0.000 2.279 452 Y HA -0.207 4.343 4.550 -0.000 0.000 0.278 452 Y C 2.667 178.455 175.900 -0.186 0.000 1.243 452 Y CA 1.361 59.382 58.100 -0.132 0.000 1.223 452 Y CB -0.405 37.993 38.460 -0.103 0.000 0.962 452 Y HN 0.336 nan 8.280 nan 0.000 0.543 453 L N -0.175 120.989 121.223 -0.099 0.000 2.591 453 L HA -0.045 4.295 4.340 -0.000 0.000 0.228 453 L C 0.938 177.718 176.870 -0.150 0.000 1.133 453 L CA 0.188 54.911 54.840 -0.195 0.000 0.880 453 L CB -0.269 41.668 42.059 -0.204 0.000 1.033 453 L HN 0.194 nan 8.230 nan 0.000 0.450 454 D N 0.836 121.167 120.400 -0.114 0.000 2.219 454 D HA -0.109 4.531 4.640 -0.000 0.000 0.205 454 D C 1.174 177.430 176.300 -0.074 0.000 0.970 454 D CA 1.238 55.180 54.000 -0.096 0.000 0.851 454 D CB 0.170 40.917 40.800 -0.088 0.000 0.943 454 D HN 0.124 nan 8.370 nan 0.000 0.488 455 K N -0.000 120.359 120.400 -0.068 0.000 3.095 455 K HA 0.246 4.566 4.320 -0.000 0.000 0.220 455 K C -0.808 175.760 176.600 -0.054 0.000 1.216 455 K CA -0.323 55.935 56.287 -0.048 0.000 1.167 455 K CB 0.508 32.990 32.500 -0.029 0.000 1.199 455 K HN -0.059 nan 8.250 nan 0.000 0.458 456 L N -0.095 121.085 121.223 -0.071 0.000 2.408 456 L HA 0.322 4.662 4.340 -0.000 0.000 0.268 456 L C -0.801 176.047 176.870 -0.037 0.000 0.986 456 L CA -0.519 54.285 54.840 -0.062 0.000 0.820 456 L CB 1.890 43.865 42.059 -0.140 0.000 1.303 456 L HN 0.059 nan 8.230 nan 0.000 0.411 457 E N 5.759 125.957 120.200 -0.004 0.000 2.351 457 E HA 0.106 4.456 4.350 -0.000 0.000 0.266 457 E C -1.754 174.851 176.600 0.007 0.000 1.031 457 E CA -1.433 54.968 56.400 0.002 0.000 0.911 457 E CB 1.183 30.892 29.700 0.014 0.000 0.986 457 E HN 0.487 nan 8.360 nan 0.000 0.446 458 P HA -0.311 nan 4.420 nan 0.000 0.222 458 P C 1.125 178.434 177.300 0.016 0.000 1.157 458 P CA 1.916 65.010 63.100 -0.010 0.000 0.905 458 P CB 0.127 31.818 31.700 -0.015 0.000 0.792 459 S N -0.074 115.642 115.700 0.027 0.000 2.368 459 S HA -0.235 4.235 4.470 -0.000 0.000 0.226 459 S C 1.650 176.294 174.600 0.074 0.000 1.044 459 S CA 1.537 59.763 58.200 0.043 0.000 1.062 459 S CB -1.003 62.221 63.200 0.042 0.000 0.931 459 S HN 0.327 nan 8.310 nan 0.000 0.440 460 K N 1.144 121.603 120.400 0.099 0.000 2.288 460 K HA 0.134 4.453 4.320 -0.000 0.000 0.201 460 K C 2.035 178.752 176.600 0.196 0.000 1.048 460 K CA 0.575 56.972 56.287 0.182 0.000 0.956 460 K CB -0.478 32.165 32.500 0.239 0.000 0.746 460 K HN 0.422 nan 8.250 nan 0.000 0.461 461 I N 1.969 122.607 120.570 0.113 0.000 2.118 461 I HA -0.290 3.880 4.170 -0.000 0.000 0.241 461 I C 2.021 178.223 176.117 0.140 0.000 1.070 461 I CA 1.919 63.287 61.300 0.113 0.000 1.327 461 I CB -1.302 36.721 38.000 0.037 0.000 1.034 461 I HN 0.218 nan 8.210 nan 0.000 0.405 462 T N -0.375 114.235 114.554 0.093 0.000 2.977 462 T HA -0.205 4.145 4.350 -0.000 0.000 0.271 462 T C 1.780 176.535 174.700 0.092 0.000 1.105 462 T CA 1.232 63.375 62.100 0.072 0.000 1.116 462 T CB -0.171 68.724 68.868 0.046 0.000 0.878 462 T HN 0.371 nan 8.240 nan 0.000 0.509 463 K N 0.089 120.580 120.400 0.151 0.000 2.099 463 K HA 0.128 4.448 4.320 -0.000 0.000 0.203 463 K C 1.933 178.642 176.600 0.180 0.000 1.047 463 K CA 0.229 56.637 56.287 0.201 0.000 0.963 463 K CB -0.248 32.426 32.500 0.292 0.000 0.759 463 K HN 0.246 nan 8.250 nan 0.000 0.451 464 F N 2.911 122.834 119.950 -0.045 0.000 2.065 464 F HA -0.273 4.254 4.527 -0.000 0.000 0.298 464 F C 2.135 177.828 175.800 -0.179 0.000 1.112 464 F CA 2.417 60.147 58.000 -0.450 0.000 1.212 464 F CB -0.445 38.258 39.000 -0.495 0.000 0.975 464 F HN 0.252 nan 8.300 nan 0.000 0.476 465 E N -0.083 120.021 120.200 -0.161 0.000 2.153 465 E HA -0.305 4.045 4.350 -0.000 0.000 0.194 465 E C 1.916 178.425 176.600 -0.151 0.000 0.988 465 E CA 1.603 57.866 56.400 -0.230 0.000 0.811 465 E CB -0.723 28.956 29.700 -0.036 0.000 0.746 465 E HN 0.603 nan 8.360 nan 0.000 0.466 466 N N 0.344 119.002 118.700 -0.070 0.000 2.142 466 N HA -0.120 4.620 4.740 -0.000 0.000 0.186 466 N C 1.728 177.220 175.510 -0.030 0.000 1.023 466 N CA 1.858 54.896 53.050 -0.020 0.000 0.852 466 N CB -0.183 38.326 38.487 0.036 0.000 0.998 466 N HN 0.322 nan 8.380 nan 0.000 0.424 467 A N -0.620 122.183 122.820 -0.029 0.000 1.930 467 A HA 0.011 4.331 4.320 -0.000 0.000 0.215 467 A C 2.045 179.554 177.584 -0.125 0.000 1.176 467 A CA 0.664 52.734 52.037 0.055 0.000 0.632 467 A CB -0.967 18.218 19.000 0.307 0.000 0.819 467 A HN 0.496 nan 8.150 nan 0.000 0.445 468 F N 0.187 119.746 119.950 -0.652 0.000 2.134 468 F HA -0.137 4.390 4.527 -0.000 0.000 0.299 468 F C 1.768 177.213 175.800 -0.591 0.000 1.097 468 F CA 1.669 59.021 58.000 -1.080 0.000 1.264 468 F CB -0.179 37.948 39.000 -1.456 0.000 1.001 468 F HN 0.187 nan 8.300 nan 0.000 0.479 469 L N -0.049 121.055 121.223 -0.198 0.000 1.994 469 L HA -0.198 4.142 4.340 -0.000 0.000 0.208 469 L C 2.749 179.465 176.870 -0.256 0.000 1.071 469 L CA 2.161 56.898 54.840 -0.172 0.000 0.745 469 L CB -1.282 40.751 42.059 -0.043 0.000 0.892 469 L HN 0.276 nan 8.230 nan 0.000 0.431 470 S N -1.746 113.854 115.700 -0.166 0.000 2.359 470 S HA -0.313 4.157 4.470 -0.000 0.000 0.224 470 S C 2.111 176.642 174.600 -0.115 0.000 1.035 470 S CA 1.528 59.667 58.200 -0.100 0.000 1.018 470 S CB -0.463 62.725 63.200 -0.019 0.000 0.876 470 S HN 0.774 nan 8.310 nan 0.000 0.448 471 H N 1.185 120.093 119.070 -0.270 0.000 2.289 471 H HA -0.087 4.469 4.556 -0.000 0.000 0.296 471 H C 2.150 177.339 175.328 -0.231 0.000 1.091 471 H CA 2.455 58.368 56.048 -0.225 0.000 1.274 471 H CB -0.780 28.778 29.762 -0.339 0.000 1.364 471 H HN 0.276 nan 8.280 nan 0.000 0.490 472 V N -0.435 119.129 119.914 -0.583 0.000 2.453 472 V HA -0.108 4.012 4.120 -0.000 0.000 0.247 472 V C 2.386 178.309 176.094 -0.286 0.000 1.048 472 V CA 1.900 63.898 62.300 -0.504 0.000 1.049 472 V CB -0.705 30.752 31.823 -0.609 0.000 0.672 472 V HN 0.499 nan 8.190 nan 0.000 0.457 473 I N 1.791 122.213 120.570 -0.246 0.000 2.361 473 I HA -0.171 3.999 4.170 -0.000 0.000 0.251 473 I C 2.772 178.809 176.117 -0.134 0.000 1.133 473 I CA 1.944 63.148 61.300 -0.161 0.000 1.413 473 I CB -0.283 37.640 38.000 -0.128 0.000 1.073 473 I HN 0.652 nan 8.210 nan 0.000 0.424 474 S N -0.517 115.100 115.700 -0.138 0.000 2.412 474 S HA -0.058 4.412 4.470 -0.000 0.000 0.223 474 S C 1.844 176.356 174.600 -0.146 0.000 1.048 474 S CA 0.071 58.205 58.200 -0.110 0.000 0.954 474 S CB -0.042 63.118 63.200 -0.066 0.000 0.840 474 S HN 0.186 nan 8.310 nan 0.000 0.503 475 Q N 1.703 121.375 119.800 -0.213 0.000 1.596 475 Q HA 0.076 4.416 4.340 -0.000 0.000 0.476 475 Q C 0.996 176.800 176.000 -0.327 0.000 0.959 475 Q CA 1.859 57.471 55.803 -0.319 0.000 0.901 475 Q CB -1.084 27.355 28.738 -0.499 0.000 0.932 475 Q HN 0.792 nan 8.270 nan 0.000 0.389 476 H N 0.423 119.309 119.070 -0.306 0.000 3.269 476 H HA 0.032 4.588 4.556 -0.000 0.000 0.285 476 H C 0.870 176.086 175.328 -0.186 0.000 1.108 476 H CA 0.215 56.130 56.048 -0.222 0.000 1.219 476 H CB -0.426 29.196 29.762 -0.233 0.000 1.295 476 H HN 0.269 nan 8.280 nan 0.000 0.673 477 Q N 1.113 120.856 119.800 -0.094 0.000 2.389 477 Q HA -0.198 4.142 4.340 -0.000 0.000 0.213 477 Q C 1.875 177.835 176.000 -0.067 0.000 0.989 477 Q CA 1.048 56.799 55.803 -0.086 0.000 0.891 477 Q CB -0.216 28.466 28.738 -0.092 0.000 0.923 477 Q HN 0.637 nan 8.270 nan 0.000 0.455 478 A N 0.033 122.817 122.820 -0.060 0.000 2.240 478 A HA -0.150 4.170 4.320 -0.000 0.000 0.199 478 A C 0.692 178.257 177.584 -0.031 0.000 1.172 478 A CA 1.501 53.512 52.037 -0.044 0.000 0.807 478 A CB -0.856 18.121 19.000 -0.039 0.000 0.830 478 A HN 0.342 nan 8.150 nan 0.000 0.527 479 L N -0.364 120.851 121.223 -0.013 0.000 2.796 479 L HA 0.365 4.705 4.340 -0.000 0.000 0.235 479 L C 0.635 177.473 176.870 -0.052 0.000 1.344 479 L CA 0.378 55.200 54.840 -0.029 0.000 1.245 479 L CB 0.325 42.371 42.059 -0.022 0.000 1.556 479 L HN 0.575 nan 8.230 nan 0.000 0.423 480 L N -0.496 120.693 121.223 -0.057 0.000 3.147 480 L HA 0.463 4.803 4.340 -0.000 0.000 0.166 480 L C 2.181 179.014 176.870 -0.063 0.000 1.146 480 L CA 1.153 55.949 54.840 -0.073 0.000 0.858 480 L CB -0.780 41.227 42.059 -0.087 0.000 1.500 480 L HN 0.219 nan 8.230 nan 0.000 0.547 481 G N 0.227 108.990 108.800 -0.063 0.000 2.581 481 G HA2 -0.388 3.571 3.960 -0.000 0.000 0.223 481 G HA3 -0.388 3.571 3.960 -0.000 0.000 0.223 481 G C 1.516 176.389 174.900 -0.046 0.000 1.094 481 G CA 1.489 46.554 45.100 -0.058 0.000 0.736 481 G HN 0.417 nan 8.290 nan 0.000 0.588 482 K N -0.144 120.230 120.400 -0.042 0.000 2.166 482 K HA 0.228 4.548 4.320 -0.000 0.000 0.201 482 K C 2.353 178.934 176.600 -0.032 0.000 1.052 482 K CA 0.160 56.427 56.287 -0.034 0.000 0.969 482 K CB -0.195 32.286 32.500 -0.031 0.000 0.761 482 K HN 0.283 nan 8.250 nan 0.000 0.459 483 I N 1.435 121.980 120.570 -0.041 0.000 2.264 483 I HA -0.325 3.845 4.170 -0.000 0.000 0.248 483 I C 2.644 178.746 176.117 -0.025 0.000 1.111 483 I CA 1.311 62.589 61.300 -0.038 0.000 1.382 483 I CB -0.216 37.753 38.000 -0.052 0.000 1.060 483 I HN 0.303 nan 8.210 nan 0.000 0.418 484 R N 0.865 121.349 120.500 -0.027 0.000 2.064 484 R HA -0.175 4.165 4.340 -0.000 0.000 0.228 484 R C 2.455 178.750 176.300 -0.009 0.000 1.144 484 R CA 2.466 58.555 56.100 -0.018 0.000 0.932 484 R CB -0.689 29.591 30.300 -0.033 0.000 0.833 484 R HN 0.383 nan 8.270 nan 0.000 0.429 485 T N -1.287 113.258 114.554 -0.015 0.000 2.746 485 T HA -0.104 4.245 4.350 -0.000 0.000 0.267 485 T C 1.459 176.157 174.700 -0.003 0.000 1.039 485 T CA 1.549 63.644 62.100 -0.007 0.000 1.142 485 T CB -0.503 68.357 68.868 -0.013 0.000 0.866 485 T HN 0.230 nan 8.240 nan 0.000 0.444 486 D N 1.325 121.721 120.400 -0.007 0.000 2.218 486 D HA 0.147 4.787 4.640 -0.000 0.000 0.204 486 D C 1.982 178.283 176.300 0.001 0.000 0.976 486 D CA 1.591 55.589 54.000 -0.004 0.000 0.853 486 D CB -0.703 40.092 40.800 -0.008 0.000 0.939 486 D HN 0.684 nan 8.370 nan 0.000 0.481 487 G N 0.218 109.019 108.800 0.001 0.000 2.640 487 G HA2 -0.360 3.600 3.960 -0.000 0.000 0.226 487 G HA3 -0.360 3.600 3.960 -0.000 0.000 0.226 487 G C 0.578 175.481 174.900 0.005 0.000 1.222 487 G CA 0.764 45.868 45.100 0.007 0.000 0.729 487 G HN 0.570 nan 8.290 nan 0.000 0.516 488 K N 0.190 120.592 120.400 0.003 0.000 2.419 488 K HA 0.802 5.122 4.320 -0.000 0.000 0.246 488 K C -0.238 176.360 176.600 -0.002 0.000 1.037 488 K CA -0.983 55.307 56.287 0.005 0.000 0.982 488 K CB 1.349 33.854 32.500 0.008 0.000 1.283 488 K HN 0.197 nan 8.250 nan 0.000 0.500 489 I N 2.337 122.909 120.570 0.003 0.000 2.337 489 I HA 0.088 4.258 4.170 -0.000 0.000 0.285 489 I C -0.658 175.459 176.117 0.000 0.000 1.041 489 I CA -0.518 60.777 61.300 -0.009 0.000 1.199 489 I CB 1.535 39.535 38.000 0.001 0.000 1.370 489 I HN 0.642 nan 8.210 nan 0.000 0.470 490 S N 4.297 119.991 115.700 -0.010 0.000 2.562 490 S HA 0.036 4.506 4.470 -0.000 0.000 0.281 490 S C 1.131 175.736 174.600 0.007 0.000 1.333 490 S CA -0.695 57.505 58.200 -0.001 0.000 1.052 490 S CB 0.876 64.072 63.200 -0.007 0.000 0.884 490 S HN 0.573 nan 8.310 nan 0.000 0.506 491 E N 1.608 121.818 120.200 0.016 0.000 2.197 491 E HA -0.283 4.067 4.350 -0.000 0.000 0.205 491 E C 1.711 178.324 176.600 0.021 0.000 1.029 491 E CA 1.931 58.346 56.400 0.024 0.000 0.828 491 E CB -0.111 29.601 29.700 0.021 0.000 0.737 491 E HN 0.849 nan 8.360 nan 0.000 0.464 492 E N -0.243 119.962 120.200 0.009 0.000 2.086 492 E HA -0.042 4.308 4.350 -0.000 0.000 0.190 492 E C 1.909 178.504 176.600 -0.008 0.000 0.975 492 E CA 0.790 57.193 56.400 0.005 0.000 0.813 492 E CB 0.026 29.727 29.700 0.002 0.000 0.768 492 E HN 0.129 nan 8.360 nan 0.000 0.457 493 S N 0.849 116.535 115.700 -0.024 0.000 2.423 493 S HA -0.149 4.321 4.470 -0.000 0.000 0.231 493 S C 1.473 176.017 174.600 -0.093 0.000 1.014 493 S CA 0.972 59.137 58.200 -0.058 0.000 0.965 493 S CB -0.275 62.884 63.200 -0.068 0.000 0.785 493 S HN 0.350 nan 8.310 nan 0.000 0.495 494 D N 1.561 121.933 120.400 -0.047 0.000 2.103 494 D HA -0.133 4.507 4.640 -0.000 0.000 0.190 494 D C 2.079 178.397 176.300 0.030 0.000 0.997 494 D CA 1.534 55.531 54.000 -0.005 0.000 0.833 494 D CB -0.272 40.585 40.800 0.096 0.000 0.961 494 D HN 0.371 nan 8.370 nan 0.000 0.447 495 A N 0.937 123.783 122.820 0.042 0.000 1.877 495 A HA -0.186 4.133 4.320 -0.000 0.000 0.216 495 A C 2.212 179.804 177.584 0.013 0.000 1.186 495 A CA 1.859 53.925 52.037 0.048 0.000 0.620 495 A CB -0.622 18.404 19.000 0.042 0.000 0.822 495 A HN 0.250 nan 8.150 nan 0.000 0.443 496 K N -0.677 119.714 120.400 -0.015 0.000 2.281 496 K HA -0.069 4.251 4.320 -0.000 0.000 0.203 496 K C 1.770 178.323 176.600 -0.079 0.000 1.046 496 K CA 0.945 57.214 56.287 -0.030 0.000 0.938 496 K CB -0.250 32.238 32.500 -0.020 0.000 0.737 496 K HN 0.529 nan 8.250 nan 0.000 0.458 497 L N 0.447 121.606 121.223 -0.106 0.000 2.034 497 L HA -0.135 4.205 4.340 -0.000 0.000 0.203 497 L C 2.550 179.435 176.870 0.026 0.000 1.074 497 L CA 1.123 55.885 54.840 -0.131 0.000 0.748 497 L CB -0.387 41.394 42.059 -0.463 0.000 0.905 497 L HN 0.120 nan 8.230 nan 0.000 0.439 498 K N 0.313 120.779 120.400 0.110 0.000 2.113 498 K HA -0.291 4.029 4.320 -0.000 0.000 0.208 498 K C 1.926 178.484 176.600 -0.071 0.000 1.047 498 K CA 1.887 58.190 56.287 0.026 0.000 0.928 498 K CB -0.025 32.545 32.500 0.118 0.000 0.716 498 K HN 0.305 nan 8.250 nan 0.000 0.446 499 E N 0.346 120.540 120.200 -0.010 0.000 2.047 499 E HA -0.159 4.191 4.350 -0.000 0.000 0.191 499 E C 2.010 178.628 176.600 0.029 0.000 0.987 499 E CA 1.367 57.770 56.400 0.005 0.000 0.799 499 E CB -0.016 29.698 29.700 0.023 0.000 0.752 499 E HN 0.397 nan 8.360 nan 0.000 0.449 500 I N 0.053 120.629 120.570 0.011 0.000 2.353 500 I HA -0.182 3.987 4.170 -0.000 0.000 0.248 500 I C 2.341 178.595 176.117 0.228 0.000 1.119 500 I CA 0.344 61.675 61.300 0.051 0.000 1.417 500 I CB -0.163 37.719 38.000 -0.196 0.000 1.078 500 I HN 0.033 nan 8.210 nan 0.000 0.421 501 V N 1.297 121.343 119.914 0.221 0.000 2.244 501 V HA -0.270 3.850 4.120 -0.000 0.000 0.244 501 V C 2.865 179.053 176.094 0.158 0.000 1.042 501 V CA 2.732 65.202 62.300 0.284 0.000 1.006 501 V CB -0.815 31.077 31.823 0.116 0.000 0.641 501 V HN 0.630 nan 8.190 nan 0.000 0.446 502 T N -1.715 112.788 114.554 -0.085 0.000 2.867 502 T HA -0.156 4.194 4.350 -0.000 0.000 0.268 502 T C 1.591 176.328 174.700 0.061 0.000 1.057 502 T CA 1.574 63.623 62.100 -0.086 0.000 1.136 502 T CB -0.442 68.305 68.868 -0.202 0.000 0.874 502 T HN 0.391 nan 8.240 nan 0.000 0.466 503 N N 0.059 118.819 118.700 0.101 0.000 2.494 503 N HA 0.142 4.881 4.740 -0.000 0.000 0.182 503 N C 1.061 176.677 175.510 0.176 0.000 1.076 503 N CA 0.404 53.523 53.050 0.115 0.000 0.908 503 N CB -0.217 38.329 38.487 0.099 0.000 0.967 503 N HN 0.590 nan 8.380 nan 0.000 0.449 504 F N 0.305 120.329 119.950 0.123 0.000 2.437 504 F HA 0.147 4.673 4.527 -0.000 0.000 0.288 504 F C 1.942 177.899 175.800 0.261 0.000 1.085 504 F CA -0.095 57.995 58.000 0.150 0.000 1.430 504 F CB -0.062 39.045 39.000 0.177 0.000 1.120 504 F HN -0.157 nan 8.300 nan 0.000 0.556 505 L N 1.401 122.955 121.223 0.552 0.000 1.970 505 L HA -0.091 4.249 4.340 -0.000 0.000 0.212 505 L C 2.634 179.621 176.870 0.194 0.000 1.071 505 L CA 2.232 57.293 54.840 0.368 0.000 0.751 505 L CB -1.359 40.774 42.059 0.123 0.000 0.889 505 L HN 0.222 nan 8.230 nan 0.000 0.432 506 A N -0.482 122.408 122.820 0.116 0.000 1.893 506 A HA -0.351 3.969 4.320 -0.000 0.000 0.222 506 A C 2.290 179.893 177.584 0.033 0.000 1.309 506 A CA 2.658 54.730 52.037 0.058 0.000 0.681 506 A CB -1.862 17.164 19.000 0.042 0.000 0.842 506 A HN 0.598 nan 8.150 nan 0.000 0.468 507 G N -2.873 105.921 108.800 -0.011 0.000 2.511 507 G HA2 0.033 3.993 3.960 -0.000 0.000 0.217 507 G HA3 0.033 3.993 3.960 -0.000 0.000 0.217 507 G C 1.326 176.178 174.900 -0.080 0.000 1.133 507 G CA 0.922 45.977 45.100 -0.075 0.000 0.792 507 G HN 0.478 nan 8.290 nan 0.000 0.539 508 F N 2.434 122.258 119.950 -0.210 0.000 2.039 508 F HA 0.005 4.532 4.527 -0.000 0.000 0.294 508 F C 2.186 177.960 175.800 -0.042 0.000 1.130 508 F CA 1.514 59.432 58.000 -0.138 0.000 1.189 508 F CB -0.156 38.872 39.000 0.046 0.000 0.983 508 F HN 0.330 nan 8.300 nan 0.000 0.471 509 E N 0.679 120.965 120.200 0.143 0.000 2.594 509 E HA 0.464 4.813 4.350 -0.000 0.000 0.300 509 E C -0.267 176.313 176.600 -0.033 0.000 1.568 509 E CA -0.020 56.390 56.400 0.016 0.000 1.811 509 E CB -0.278 29.489 29.700 0.112 0.000 1.458 509 E HN 0.309 nan 8.360 nan 0.000 0.470 510 A N 0.000 122.770 122.820 -0.083 0.000 2.254 510 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 510 A CA 0.000 51.998 52.037 -0.065 0.000 0.836 510 A CB 0.000 18.972 19.000 -0.047 0.000 0.831 510 A HN 0.000 nan 8.150 nan 0.000 0.486