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 1hr6_1_G DATA FIRST_RESID 14 DATA SEQUENCE ARTDNFKLSS LANGLKVATS NTPGHFSALG LYIDAGSRFE GRNLKGCTHI DATA SEQUENCE LDRLAFKSTE HVEGRAMAET LELLGGNYQC TSSRENLMYQ ASVFNQDVGK DATA SEQUENCE MLQLMSETVR FPKITEQELQ EQKLSAEYEI DEVWMKPELV LPELLHTAAY DATA SEQUENCE SGETLGSPLI CPRGLIPSIS KYYLLDYRNK FYTPENTVAA FVGVPHEKAL DATA SEQUENCE ELTGKYLGDW QSTHPPITKK VAQYTGGESC IPPAPVFGNL PELFHIQIGF DATA SEQUENCE EGLPIDHPDI YALATLQTLL GGGGSFSAGG PGKGMYSRLY THVLNQYYFV DATA SEQUENCE ENCVAFNHSY SDSGIFGISL SCIPQAAPQA VEVIAQQMYN TFANKDLRLT DATA SEQUENCE EDEVSRAKNQ LKSSLLMNLE SKLVELEDMG RQVLMHGRKI PVNEMISKIE DATA SEQUENCE DLKPDDISRV AEMIFTGNVN NAGNGKGRAT VVMQGDRGSF GDVENVLKAY DATA SEQUENCE GLGNSSS 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 14 A HA 0.000 nan 4.320 nan 0.000 0.244 14 A C 0.000 177.674 177.584 0.150 0.000 1.274 14 A CA 0.000 52.188 52.037 0.252 0.000 0.836 14 A CB 0.000 19.049 19.000 0.081 0.000 0.831 15 R N -0.314 120.235 120.500 0.082 0.000 2.144 15 R HA 0.177 4.517 4.340 -0.000 0.000 0.195 15 R C 1.282 177.608 176.300 0.043 0.000 1.077 15 R CA 1.974 58.105 56.100 0.052 0.000 1.120 15 R CB -0.072 30.245 30.300 0.030 0.000 1.060 15 R HN 0.453 nan 8.270 nan 0.000 0.520 16 T N 1.259 115.835 114.554 0.038 0.000 3.015 16 T HA 0.071 4.421 4.350 -0.000 0.000 0.250 16 T C 0.813 175.539 174.700 0.043 0.000 1.057 16 T CA 0.199 62.317 62.100 0.030 0.000 1.066 16 T CB 0.170 69.049 68.868 0.017 0.000 0.959 16 T HN 0.155 nan 8.240 nan 0.000 0.488 17 D N 2.109 122.546 120.400 0.062 0.000 2.149 17 D HA -0.155 4.484 4.640 -0.000 0.000 0.194 17 D C 1.211 177.577 176.300 0.110 0.000 1.001 17 D CA 1.360 55.414 54.000 0.089 0.000 0.849 17 D CB -0.281 40.599 40.800 0.134 0.000 0.939 17 D HN 0.387 nan 8.370 nan 0.000 0.449 18 N N -1.696 117.070 118.700 0.110 0.000 2.862 18 N HA -0.234 4.506 4.740 -0.000 0.000 0.248 18 N C -0.854 174.726 175.510 0.116 0.000 1.116 18 N CA 0.138 53.235 53.050 0.078 0.000 0.727 18 N CB -2.044 36.477 38.487 0.057 0.000 1.083 18 N HN 0.146 nan 8.380 nan 0.000 0.555 19 F N 1.694 121.645 119.950 0.001 0.000 2.467 19 F HA 0.490 5.017 4.527 -0.000 0.000 0.362 19 F C 0.297 176.073 175.800 -0.039 0.000 1.090 19 F CA 0.040 58.043 58.000 0.006 0.000 1.202 19 F CB 0.512 39.520 39.000 0.013 0.000 1.113 19 F HN 0.053 nan 8.300 nan 0.000 0.541 20 K N 6.450 126.358 120.400 -0.820 0.000 2.422 20 K HA 0.679 4.999 4.320 -0.000 0.000 0.251 20 K C -1.958 174.032 176.600 -1.017 0.000 0.933 20 K CA -1.107 54.619 56.287 -0.936 0.000 0.798 20 K CB 2.597 34.570 32.500 -0.878 0.000 1.238 20 K HN 0.611 nan 8.250 nan 0.000 0.428 21 L N 1.156 121.917 121.223 -0.771 0.000 2.455 21 L HA 0.610 4.950 4.340 -0.000 0.000 0.264 21 L C -1.349 175.478 176.870 -0.072 0.000 0.968 21 L CA 0.150 54.811 54.840 -0.299 0.000 0.827 21 L CB 2.132 44.050 42.059 -0.236 0.000 1.317 21 L HN 0.857 nan 8.230 nan 0.000 0.407 22 S N 1.558 117.330 115.700 0.119 0.000 2.688 22 S HA 0.885 5.355 4.470 -0.000 0.000 0.275 22 S C -1.106 173.555 174.600 0.101 0.000 1.175 22 S CA -0.814 57.452 58.200 0.110 0.000 0.818 22 S CB 1.534 64.838 63.200 0.173 0.000 1.157 22 S HN 0.613 nan 8.310 nan 0.000 0.482 23 S N 0.169 115.912 115.700 0.071 0.000 2.599 23 S HA 0.681 5.151 4.470 -0.000 0.000 0.294 23 S C -0.553 174.075 174.600 0.047 0.000 1.094 23 S CA -0.904 57.331 58.200 0.059 0.000 0.931 23 S CB 0.929 64.155 63.200 0.043 0.000 1.093 23 S HN 0.637 nan 8.310 nan 0.000 0.488 24 L N 1.326 122.576 121.223 0.046 0.000 2.454 24 L HA 0.445 4.785 4.340 -0.000 0.000 0.256 24 L C 1.734 178.619 176.870 0.025 0.000 1.136 24 L CA -0.676 54.187 54.840 0.039 0.000 0.804 24 L CB 0.340 42.432 42.059 0.056 0.000 1.181 24 L HN 0.902 nan 8.230 nan 0.000 0.469 25 A N 1.266 124.099 122.820 0.022 0.000 1.978 25 A HA -0.203 4.117 4.320 -0.000 0.000 0.220 25 A C 1.548 179.133 177.584 0.001 0.000 1.170 25 A CA 1.993 54.038 52.037 0.013 0.000 0.636 25 A CB -0.846 18.163 19.000 0.016 0.000 0.810 25 A HN 0.927 nan 8.150 nan 0.000 0.448 26 N N -1.146 117.551 118.700 -0.004 0.000 2.449 26 N HA 0.257 4.997 4.740 -0.000 0.000 0.191 26 N C 0.994 176.455 175.510 -0.082 0.000 1.161 26 N CA 1.241 54.263 53.050 -0.047 0.000 0.863 26 N CB -0.290 38.163 38.487 -0.057 0.000 0.980 26 N HN 0.789 nan 8.380 nan 0.000 0.458 27 G N -0.545 108.230 108.800 -0.041 0.000 2.213 27 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.236 27 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.236 27 G C -0.193 174.689 174.900 -0.030 0.000 0.991 27 G CA 0.118 45.191 45.100 -0.046 0.000 0.629 27 G HN 0.488 nan 8.290 nan 0.000 0.517 28 L N 2.022 123.237 121.223 -0.015 0.000 2.513 28 L HA 0.478 4.818 4.340 -0.000 0.000 0.272 28 L C 0.663 177.579 176.870 0.077 0.000 1.187 28 L CA 0.412 55.278 54.840 0.042 0.000 0.895 28 L CB 0.295 42.422 42.059 0.113 0.000 1.147 28 L HN 0.215 nan 8.230 nan 0.000 0.483 29 K N 4.101 124.556 120.400 0.092 0.000 2.143 29 K HA 0.546 4.866 4.320 -0.000 0.000 0.272 29 K C -1.186 175.509 176.600 0.157 0.000 1.001 29 K CA -0.726 55.627 56.287 0.111 0.000 0.915 29 K CB 1.657 34.219 32.500 0.103 0.000 1.047 29 K HN 0.418 nan 8.250 nan 0.000 0.458 30 V N 1.950 121.963 119.914 0.166 0.000 2.483 30 V HA 0.518 4.638 4.120 -0.000 0.000 0.297 30 V C -0.724 175.520 176.094 0.250 0.000 1.027 30 V CA -0.914 61.513 62.300 0.212 0.000 0.855 30 V CB 1.440 33.328 31.823 0.108 0.000 0.995 30 V HN 0.885 nan 8.190 nan 0.000 0.424 31 A N 3.587 126.592 122.820 0.307 0.000 2.330 31 A HA 0.939 5.259 4.320 -0.000 0.000 0.313 31 A C -0.023 177.787 177.584 0.377 0.000 1.124 31 A CA -0.420 51.797 52.037 0.300 0.000 0.774 31 A CB 1.593 20.805 19.000 0.354 0.000 1.198 31 A HN 0.932 nan 8.150 nan 0.000 0.465 32 T N -0.698 114.038 114.554 0.305 0.000 2.907 32 T HA 0.884 5.234 4.350 -0.000 0.000 0.292 32 T C -0.209 174.652 174.700 0.268 0.000 1.043 32 T CA -0.070 62.221 62.100 0.319 0.000 1.003 32 T CB 1.574 70.618 68.868 0.293 0.000 1.084 32 T HN 1.909 nan 8.240 nan 0.000 0.483 33 S N 1.674 117.526 115.700 0.253 0.000 2.615 33 S HA 0.725 5.195 4.470 -0.000 0.000 0.269 33 S C -0.636 174.051 174.600 0.145 0.000 1.161 33 S CA -0.676 57.660 58.200 0.226 0.000 0.817 33 S CB 1.396 64.763 63.200 0.278 0.000 1.131 33 S HN 1.351 nan 8.310 nan 0.000 0.467 34 N N -0.597 118.168 118.700 0.109 0.000 6.832 34 N HA -0.156 4.584 4.740 -0.000 0.000 0.417 34 N C -0.476 175.062 175.510 0.046 0.000 0.938 34 N CA 1.480 54.568 53.050 0.063 0.000 1.317 34 N CB -1.285 37.230 38.487 0.047 0.000 0.820 34 N HN 1.463 nan 8.380 nan 0.000 0.305 35 T N -2.081 112.482 114.554 0.017 0.000 2.910 35 T HA 0.769 5.119 4.350 -0.000 0.000 0.287 35 T C -2.759 171.931 174.700 -0.017 0.000 1.050 35 T CA -1.263 60.840 62.100 0.004 0.000 1.011 35 T CB 1.573 70.437 68.868 -0.006 0.000 1.195 35 T HN 0.373 nan 8.240 nan 0.000 0.540 36 P HA 0.430 nan 4.420 nan 0.000 0.265 36 P C 0.081 177.324 177.300 -0.095 0.000 1.187 36 P CA 0.282 63.361 63.100 -0.036 0.000 0.766 36 P CB 0.257 31.942 31.700 -0.023 0.000 0.820 37 G N 0.393 109.117 108.800 -0.127 0.000 3.058 37 G HA2 0.155 4.115 3.960 -0.000 0.000 0.282 37 G HA3 0.155 4.115 3.960 -0.000 0.000 0.282 37 G C 0.265 175.019 174.900 -0.244 0.000 1.248 37 G CA -0.253 44.694 45.100 -0.255 0.000 0.822 37 G HN 0.484 nan 8.290 nan 0.000 0.579 38 H N -0.715 118.297 119.070 -0.097 0.000 2.524 38 H HA 0.135 4.691 4.556 -0.000 0.000 0.282 38 H C 0.476 175.956 175.328 0.254 0.000 1.016 38 H CA 1.634 57.727 56.048 0.075 0.000 1.270 38 H CB -0.101 29.741 29.762 0.134 0.000 1.394 38 H HN 0.368 nan 8.280 nan 0.000 0.568 39 F N -2.779 117.273 119.950 0.169 0.000 2.926 39 F HA 0.585 5.112 4.527 -0.000 0.000 0.321 39 F C -1.002 174.842 175.800 0.073 0.000 1.168 39 F CA -1.328 56.739 58.000 0.110 0.000 0.890 39 F CB 0.952 39.947 39.000 -0.009 0.000 1.357 39 F HN -0.362 nan 8.300 nan 0.000 0.468 40 S N -0.131 115.802 115.700 0.389 0.000 2.677 40 S HA 0.977 5.447 4.470 -0.000 0.000 0.304 40 S C -1.044 173.741 174.600 0.309 0.000 1.108 40 S CA -0.371 57.983 58.200 0.256 0.000 0.944 40 S CB 1.757 65.088 63.200 0.219 0.000 1.127 40 S HN 1.127 nan 8.310 nan 0.000 0.511 41 A N 1.195 124.154 122.820 0.231 0.000 2.475 41 A HA 0.927 5.247 4.320 -0.000 0.000 0.301 41 A C -1.292 176.384 177.584 0.153 0.000 1.059 41 A CA -0.830 51.323 52.037 0.194 0.000 0.710 41 A CB 0.928 20.041 19.000 0.188 0.000 1.288 41 A HN 1.077 nan 8.150 nan 0.000 0.408 42 L N -0.992 120.276 121.223 0.076 0.000 2.582 42 L HA 1.024 5.364 4.340 -0.000 0.000 0.257 42 L C -0.357 176.471 176.870 -0.070 0.000 0.974 42 L CA -0.484 54.292 54.840 -0.107 0.000 0.851 42 L CB 1.842 43.792 42.059 -0.182 0.000 1.424 42 L HN 1.376 nan 8.230 nan 0.000 0.412 43 G N 1.297 110.017 108.800 -0.133 0.000 2.646 43 G HA2 0.612 4.572 3.960 -0.000 0.000 0.291 43 G HA3 0.612 4.572 3.960 -0.000 0.000 0.291 43 G C -2.026 172.747 174.900 -0.212 0.000 1.445 43 G CA -0.894 44.119 45.100 -0.144 0.000 0.814 43 G HN 0.635 nan 8.290 nan 0.000 0.495 44 L N 0.474 121.492 121.223 -0.342 0.000 2.322 44 L HA 0.546 4.886 4.340 -0.000 0.000 0.281 44 L C -1.191 175.423 176.870 -0.427 0.000 1.014 44 L CA -0.921 53.808 54.840 -0.185 0.000 0.815 44 L CB 1.786 43.766 42.059 -0.132 0.000 1.247 44 L HN 0.507 nan 8.230 nan 0.000 0.421 45 Y N 3.528 123.874 120.300 0.077 0.000 2.350 45 Y HA 0.543 5.093 4.550 -0.000 0.000 0.338 45 Y C -0.033 175.891 175.900 0.039 0.000 0.961 45 Y CA -0.588 57.551 58.100 0.066 0.000 1.100 45 Y CB 1.622 40.107 38.460 0.042 0.000 1.179 45 Y HN 0.332 nan 8.280 nan 0.000 0.454 46 I N 2.887 123.519 120.570 0.103 0.000 2.404 46 I HA 0.177 4.347 4.170 -0.000 0.000 0.293 46 I C -0.289 175.836 176.117 0.013 0.000 0.992 46 I CA -0.826 60.478 61.300 0.007 0.000 1.149 46 I CB 1.479 39.385 38.000 -0.158 0.000 1.315 46 I HN 0.547 nan 8.210 nan 0.000 0.446 47 D N 6.422 126.813 120.400 -0.014 0.000 2.541 47 D HA 0.410 5.050 4.640 -0.000 0.000 0.231 47 D C -0.334 175.849 176.300 -0.195 0.000 1.163 47 D CA 0.342 54.320 54.000 -0.037 0.000 1.077 47 D CB 0.113 40.875 40.800 -0.063 0.000 1.110 47 D HN 0.638 nan 8.370 nan 0.000 0.499 48 A N 0.886 123.664 122.820 -0.070 0.000 2.552 48 A HA 0.972 5.292 4.320 -0.000 0.000 0.288 48 A C 0.061 177.786 177.584 0.235 0.000 1.193 48 A CA -0.148 51.801 52.037 -0.147 0.000 0.713 48 A CB 1.732 20.653 19.000 -0.131 0.000 1.305 48 A HN 0.552 nan 8.150 nan 0.000 0.424 49 G N -1.668 107.292 108.800 0.268 0.000 2.356 49 G HA2 0.519 4.479 3.960 -0.000 0.000 0.300 49 G HA3 0.519 4.479 3.960 -0.000 0.000 0.300 49 G C 0.589 175.499 174.900 0.017 0.000 1.331 49 G CA 0.735 45.899 45.100 0.106 0.000 0.905 49 G HN 1.897 nan 8.290 nan 0.000 0.587 50 S N -0.260 115.386 115.700 -0.089 0.000 2.400 50 S HA -0.216 4.253 4.470 -0.000 0.000 0.232 50 S C 2.113 176.581 174.600 -0.219 0.000 1.025 50 S CA 1.793 59.924 58.200 -0.115 0.000 0.993 50 S CB -0.382 62.726 63.200 -0.154 0.000 0.808 50 S HN 1.157 nan 8.310 nan 0.000 0.478 51 R N 0.203 120.445 120.500 -0.430 0.000 2.293 51 R HA 0.029 4.369 4.340 -0.000 0.000 0.219 51 R C 0.744 176.663 176.300 -0.636 0.000 1.091 51 R CA 1.198 56.938 56.100 -0.599 0.000 1.004 51 R CB -0.632 29.171 30.300 -0.829 0.000 0.865 51 R HN 0.496 nan 8.270 nan 0.000 0.469 52 F N 0.972 120.833 119.950 -0.148 0.000 2.695 52 F HA 0.297 4.824 4.527 -0.000 0.000 0.303 52 F C 1.339 177.129 175.800 -0.017 0.000 1.091 52 F CA -0.340 57.578 58.000 -0.137 0.000 1.300 52 F CB 0.342 39.068 39.000 -0.458 0.000 1.071 52 F HN 0.026 nan 8.300 nan 0.000 0.578 53 E N 0.504 120.786 120.200 0.136 0.000 2.418 53 E HA 0.135 4.485 4.350 -0.000 0.000 0.197 53 E C 1.870 178.548 176.600 0.131 0.000 1.026 53 E CA 0.460 56.973 56.400 0.189 0.000 0.862 53 E CB -0.222 29.567 29.700 0.147 0.000 0.799 53 E HN 0.374 nan 8.360 nan 0.000 0.518 54 G N 1.622 110.471 108.800 0.081 0.000 2.582 54 G HA2 -0.397 3.563 3.960 -0.000 0.000 0.288 54 G HA3 -0.397 3.563 3.960 -0.000 0.000 0.288 54 G C 0.553 175.473 174.900 0.033 0.000 1.247 54 G CA 0.576 45.712 45.100 0.059 0.000 0.972 54 G HN 0.301 nan 8.290 nan 0.000 0.557 55 R N -0.346 120.171 120.500 0.029 0.000 2.250 55 R HA 0.222 4.562 4.340 -0.000 0.000 0.194 55 R C 2.423 178.713 176.300 -0.016 0.000 0.927 55 R CA 0.643 56.746 56.100 0.005 0.000 1.052 55 R CB -0.100 30.204 30.300 0.006 0.000 1.055 55 R HN 0.557 nan 8.270 nan 0.000 0.537 56 N N 0.406 119.111 118.700 0.007 0.000 2.331 56 N HA -0.025 4.715 4.740 -0.000 0.000 0.180 56 N C 0.551 175.991 175.510 -0.118 0.000 1.019 56 N CA 0.746 53.775 53.050 -0.036 0.000 0.881 56 N CB 0.288 38.824 38.487 0.082 0.000 0.972 56 N HN 0.077 nan 8.380 nan 0.000 0.435 57 L N 0.615 121.852 121.223 0.023 0.000 3.110 57 L HA 0.245 4.585 4.340 -0.000 0.000 0.266 57 L C -0.237 176.674 176.870 0.068 0.000 1.257 57 L CA -0.473 54.421 54.840 0.090 0.000 1.038 57 L CB 0.475 42.730 42.059 0.327 0.000 1.395 57 L HN -0.107 nan 8.230 nan 0.000 0.566 58 K N 1.627 122.024 120.400 -0.005 0.000 2.472 58 K HA 0.239 4.559 4.320 -0.000 0.000 0.280 58 K C 1.191 177.783 176.600 -0.013 0.000 1.028 58 K CA 1.068 57.351 56.287 -0.006 0.000 1.045 58 K CB 0.215 32.700 32.500 -0.025 0.000 0.902 58 K HN 0.336 nan 8.250 nan 0.000 0.478 59 G N 2.834 111.630 108.800 -0.006 0.000 2.176 59 G HA2 -0.328 3.632 3.960 -0.000 0.000 0.253 59 G HA3 -0.328 3.632 3.960 -0.000 0.000 0.253 59 G C 1.295 176.180 174.900 -0.025 0.000 0.979 59 G CA 0.267 45.366 45.100 -0.002 0.000 0.641 59 G HN 0.644 nan 8.290 nan 0.000 0.530 60 C N 0.523 119.785 119.300 -0.063 0.000 2.457 60 C HA 0.084 4.544 4.460 -0.000 0.000 0.278 60 C C 3.039 177.800 174.990 -0.382 0.000 1.309 60 C CA 2.033 60.941 59.018 -0.184 0.000 1.735 60 C CB -1.188 26.462 27.740 -0.149 0.000 1.992 60 C HN 0.660 nan 8.230 nan 0.000 0.493 61 T N -0.524 113.799 114.554 -0.386 0.000 2.684 61 T HA -0.242 4.108 4.350 -0.000 0.000 0.267 61 T C 1.661 176.283 174.700 -0.130 0.000 1.036 61 T CA 2.164 64.066 62.100 -0.331 0.000 1.148 61 T CB -0.506 68.306 68.868 -0.095 0.000 0.863 61 T HN 0.659 nan 8.240 nan 0.000 0.436 62 H N 0.963 119.944 119.070 -0.149 0.000 2.353 62 H HA 0.031 4.587 4.556 -0.000 0.000 0.300 62 H C 2.041 177.312 175.328 -0.096 0.000 1.090 62 H CA 1.135 57.118 56.048 -0.109 0.000 1.327 62 H CB -0.445 29.264 29.762 -0.089 0.000 1.383 62 H HN 0.160 nan 8.280 nan 0.000 0.508 63 I N 0.313 120.794 120.570 -0.150 0.000 2.226 63 I HA -0.237 3.933 4.170 -0.000 0.000 0.245 63 I C 2.443 178.456 176.117 -0.174 0.000 1.100 63 I CA 1.012 62.201 61.300 -0.185 0.000 1.374 63 I CB -1.078 36.866 38.000 -0.094 0.000 1.057 63 I HN 0.336 nan 8.210 nan 0.000 0.413 64 L N 0.867 121.995 121.223 -0.159 0.000 2.046 64 L HA -0.245 4.095 4.340 -0.000 0.000 0.208 64 L C 2.272 179.093 176.870 -0.082 0.000 1.077 64 L CA 1.902 56.678 54.840 -0.106 0.000 0.747 64 L CB -0.772 41.238 42.059 -0.081 0.000 0.896 64 L HN 0.326 nan 8.230 nan 0.000 0.432 65 D N -0.289 120.032 120.400 -0.132 0.000 2.219 65 D HA -0.229 4.411 4.640 -0.000 0.000 0.205 65 D C 2.131 178.337 176.300 -0.157 0.000 0.970 65 D CA 0.995 54.895 54.000 -0.166 0.000 0.851 65 D CB -0.072 40.626 40.800 -0.171 0.000 0.943 65 D HN -0.042 nan 8.370 nan 0.000 0.488 66 R N -0.977 119.389 120.500 -0.223 0.000 2.276 66 R HA 0.230 4.570 4.340 -0.000 0.000 0.203 66 R C 1.189 177.442 176.300 -0.079 0.000 1.017 66 R CA 0.259 56.246 56.100 -0.190 0.000 1.010 66 R CB -0.211 29.902 30.300 -0.310 0.000 0.900 66 R HN 0.195 nan 8.270 nan 0.000 0.469 67 L N -0.425 120.758 121.223 -0.066 0.000 2.585 67 L HA 0.428 4.768 4.340 -0.000 0.000 0.226 67 L C 0.182 177.061 176.870 0.014 0.000 1.113 67 L CA -0.063 54.761 54.840 -0.026 0.000 0.876 67 L CB -0.603 41.426 42.059 -0.050 0.000 1.072 67 L HN 0.015 nan 8.230 nan 0.000 0.468 68 A N -1.043 121.800 122.820 0.039 0.000 2.531 68 A HA 0.197 4.517 4.320 -0.000 0.000 0.236 68 A C 0.336 178.012 177.584 0.153 0.000 1.062 68 A CA -0.003 52.067 52.037 0.055 0.000 0.760 68 A CB -0.681 18.368 19.000 0.081 0.000 0.995 68 A HN 0.359 nan 8.150 nan 0.000 0.501 69 F N -0.920 119.105 119.950 0.125 0.000 3.093 69 F HA -0.214 4.313 4.527 -0.000 0.000 0.287 69 F C 1.057 176.872 175.800 0.025 0.000 0.882 69 F CA 1.399 59.429 58.000 0.050 0.000 1.063 69 F CB -1.684 37.356 39.000 0.067 0.000 1.097 69 F HN 0.588 nan 8.300 nan 0.000 0.604 70 K N 0.232 120.700 120.400 0.113 0.000 2.762 70 K HA 0.605 4.925 4.320 -0.000 0.000 0.292 70 K C 0.855 177.475 176.600 0.033 0.000 1.008 70 K CA 0.111 56.441 56.287 0.071 0.000 1.142 70 K CB -0.001 32.522 32.500 0.038 0.000 1.490 70 K HN 0.123 nan 8.250 nan 0.000 0.581 71 S N 0.240 115.947 115.700 0.012 0.000 2.572 71 S HA 0.206 4.676 4.470 -0.000 0.000 0.279 71 S C 0.406 174.989 174.600 -0.027 0.000 1.341 71 S CA -0.348 57.849 58.200 -0.005 0.000 1.043 71 S CB 0.189 63.383 63.200 -0.010 0.000 0.887 71 S HN 0.593 nan 8.310 nan 0.000 0.516 72 T N -1.075 113.456 114.554 -0.038 0.000 2.858 72 T HA 0.513 4.863 4.350 -0.000 0.000 0.285 72 T C 0.602 175.226 174.700 -0.127 0.000 1.052 72 T CA -0.869 61.193 62.100 -0.064 0.000 1.009 72 T CB 1.004 69.847 68.868 -0.041 0.000 1.241 72 T HN 0.428 nan 8.240 nan 0.000 0.542 73 E N 0.404 120.460 120.200 -0.239 0.000 2.110 73 E HA -0.114 4.236 4.350 -0.000 0.000 0.193 73 E C 1.418 177.744 176.600 -0.457 0.000 0.988 73 E CA 1.745 57.893 56.400 -0.421 0.000 0.804 73 E CB -0.336 28.944 29.700 -0.701 0.000 0.745 73 E HN 0.833 nan 8.360 nan 0.000 0.458 74 H N -1.721 117.264 119.070 -0.141 0.000 2.652 74 H HA 0.287 4.843 4.556 -0.000 0.000 0.274 74 H C -0.413 174.874 175.328 -0.069 0.000 1.021 74 H CA -0.321 55.651 56.048 -0.127 0.000 1.187 74 H CB 1.060 30.718 29.762 -0.173 0.000 1.505 74 H HN -0.196 nan 8.280 nan 0.000 0.530 75 V N 1.708 121.628 119.914 0.009 0.000 2.567 75 V HA 0.094 4.214 4.120 -0.000 0.000 0.298 75 V C -0.202 175.890 176.094 -0.003 0.000 1.047 75 V CA -1.072 61.236 62.300 0.012 0.000 0.880 75 V CB 2.187 34.021 31.823 0.018 0.000 1.009 75 V HN 0.187 nan 8.190 nan 0.000 0.429 76 E N 2.316 122.515 120.200 -0.000 0.000 2.418 76 E HA 0.132 4.482 4.350 -0.000 0.000 0.261 76 E C 1.386 177.989 176.600 0.005 0.000 1.070 76 E CA 0.770 57.169 56.400 -0.002 0.000 0.931 76 E CB 1.281 30.981 29.700 0.000 0.000 0.954 76 E HN 0.794 nan 8.360 nan 0.000 0.439 77 G N 2.411 111.215 108.800 0.007 0.000 2.459 77 G HA2 -0.335 3.625 3.960 -0.000 0.000 0.217 77 G HA3 -0.335 3.625 3.960 -0.000 0.000 0.217 77 G C 1.503 176.415 174.900 0.020 0.000 1.183 77 G CA 1.132 46.242 45.100 0.018 0.000 0.776 77 G HN 0.526 nan 8.290 nan 0.000 0.552 78 R N 0.611 121.120 120.500 0.014 0.000 2.091 78 R HA -0.017 4.323 4.340 -0.000 0.000 0.238 78 R C 2.836 179.142 176.300 0.009 0.000 1.136 78 R CA 1.653 57.761 56.100 0.013 0.000 0.959 78 R CB -0.436 29.870 30.300 0.010 0.000 0.856 78 R HN 0.297 nan 8.270 nan 0.000 0.437 79 A N 0.765 123.589 122.820 0.006 0.000 1.902 79 A HA -0.206 4.114 4.320 -0.000 0.000 0.217 79 A C 2.093 179.675 177.584 -0.003 0.000 1.181 79 A CA 1.571 53.609 52.037 0.002 0.000 0.623 79 A CB -0.521 18.480 19.000 0.002 0.000 0.818 79 A HN 0.480 nan 8.150 nan 0.000 0.443 80 M N 0.473 120.075 119.600 0.003 0.000 2.065 80 M HA -0.077 4.403 4.480 -0.000 0.000 0.259 80 M C 2.187 178.471 176.300 -0.026 0.000 1.069 80 M CA 2.038 57.338 55.300 -0.000 0.000 1.110 80 M CB -0.773 31.849 32.600 0.036 0.000 1.328 80 M HN 0.364 nan 8.290 nan 0.000 0.405 81 A N -0.407 122.414 122.820 0.001 0.000 1.883 81 A HA -0.239 4.081 4.320 -0.000 0.000 0.217 81 A C 2.081 179.657 177.584 -0.014 0.000 1.186 81 A CA 2.260 54.299 52.037 0.003 0.000 0.624 81 A CB -1.089 17.931 19.000 0.034 0.000 0.822 81 A HN 0.710 nan 8.150 nan 0.000 0.444 82 E N -1.093 119.103 120.200 -0.007 0.000 2.077 82 E HA -0.119 4.231 4.350 -0.000 0.000 0.193 82 E C 2.081 178.669 176.600 -0.019 0.000 0.989 82 E CA 1.572 57.968 56.400 -0.006 0.000 0.800 82 E CB -0.255 29.444 29.700 -0.001 0.000 0.746 82 E HN 0.623 nan 8.360 nan 0.000 0.452 83 T N 1.271 115.805 114.554 -0.033 0.000 2.867 83 T HA -0.082 4.268 4.350 -0.000 0.000 0.268 83 T C 1.875 176.529 174.700 -0.078 0.000 1.057 83 T CA 0.656 62.731 62.100 -0.042 0.000 1.136 83 T CB -0.076 68.766 68.868 -0.042 0.000 0.874 83 T HN 0.086 nan 8.240 nan 0.000 0.466 84 L N 0.579 121.717 121.223 -0.141 0.000 2.141 84 L HA -0.059 4.281 4.340 -0.000 0.000 0.209 84 L C 2.702 179.520 176.870 -0.085 0.000 1.094 84 L CA 1.247 55.931 54.840 -0.261 0.000 0.763 84 L CB -0.462 41.236 42.059 -0.601 0.000 0.908 84 L HN 0.340 nan 8.230 nan 0.000 0.437 85 E N 0.248 120.437 120.200 -0.017 0.000 2.047 85 E HA -0.208 4.142 4.350 -0.000 0.000 0.191 85 E C 2.260 178.875 176.600 0.025 0.000 0.987 85 E CA 1.026 57.444 56.400 0.030 0.000 0.799 85 E CB -0.167 29.549 29.700 0.026 0.000 0.752 85 E HN 0.450 nan 8.360 nan 0.000 0.449 86 L N 0.851 122.081 121.223 0.012 0.000 2.353 86 L HA -0.151 4.189 4.340 -0.000 0.000 0.220 86 L C 2.133 179.032 176.870 0.047 0.000 1.133 86 L CA 0.556 55.411 54.840 0.026 0.000 0.798 86 L CB -0.194 41.874 42.059 0.014 0.000 0.922 86 L HN 0.162 nan 8.230 nan 0.000 0.445 87 L N -0.952 120.288 121.223 0.029 0.000 2.558 87 L HA 0.124 4.464 4.340 -0.000 0.000 0.225 87 L C 1.511 178.426 176.870 0.074 0.000 1.128 87 L CA 0.702 55.573 54.840 0.052 0.000 0.868 87 L CB -0.015 42.037 42.059 -0.012 0.000 1.006 87 L HN 0.472 nan 8.230 nan 0.000 0.454 88 G N -1.388 107.452 108.800 0.068 0.000 2.255 88 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.196 88 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.196 88 G C 0.919 175.835 174.900 0.027 0.000 0.998 88 G CA -0.266 44.864 45.100 0.050 0.000 0.656 88 G HN 0.416 nan 8.290 nan 0.000 0.490 89 G N -0.181 108.668 108.800 0.081 0.000 2.166 89 G HA2 -0.331 3.629 3.960 -0.000 0.000 0.260 89 G HA3 -0.331 3.629 3.960 -0.000 0.000 0.260 89 G C 0.189 175.121 174.900 0.053 0.000 0.986 89 G CA 1.053 46.246 45.100 0.155 0.000 0.683 89 G HN 1.436 nan 8.290 nan 0.000 0.527 90 N N 0.383 119.105 118.700 0.036 0.000 3.229 90 N HA 0.524 5.264 4.740 -0.000 0.000 0.275 90 N C -0.360 175.147 175.510 -0.005 0.000 1.225 90 N CA -0.492 52.516 53.050 -0.069 0.000 1.119 90 N CB -0.216 38.193 38.487 -0.130 0.000 1.392 90 N HN 0.655 nan 8.380 nan 0.000 0.520 91 Y N -0.912 119.287 120.300 -0.169 0.000 2.615 91 Y HA 0.640 5.190 4.550 -0.000 0.000 0.341 91 Y C -1.160 174.652 175.900 -0.147 0.000 1.089 91 Y CA -1.250 56.738 58.100 -0.187 0.000 1.049 91 Y CB 0.939 39.172 38.460 -0.379 0.000 1.296 91 Y HN 0.256 nan 8.280 nan 0.000 0.470 92 Q N 0.937 120.742 119.800 0.007 0.000 2.647 92 Q HA 0.580 4.920 4.340 -0.000 0.000 0.283 92 Q C -2.220 173.868 176.000 0.147 0.000 0.943 92 Q CA -0.908 54.888 55.803 -0.012 0.000 0.813 92 Q CB 1.872 30.544 28.738 -0.111 0.000 1.477 92 Q HN 1.088 nan 8.270 nan 0.000 0.393 93 C N 2.140 121.481 119.300 0.068 0.000 2.369 93 C HA 0.944 5.404 4.460 -0.000 0.000 0.322 93 C C -0.496 174.390 174.990 -0.172 0.000 1.258 93 C CA 0.692 59.598 59.018 -0.185 0.000 1.487 93 C CB 0.722 28.249 27.740 -0.354 0.000 2.165 93 C HN 0.863 nan 8.230 nan 0.000 0.483 94 T N 2.421 116.861 114.554 -0.188 0.000 2.883 94 T HA 0.903 5.253 4.350 -0.000 0.000 0.296 94 T C -0.588 174.049 174.700 -0.106 0.000 1.117 94 T CA -0.356 61.682 62.100 -0.105 0.000 1.006 94 T CB 1.659 70.496 68.868 -0.051 0.000 1.191 94 T HN 1.246 nan 8.240 nan 0.000 0.508 95 S N 0.027 115.698 115.700 -0.047 0.000 2.579 95 S HA 0.871 5.341 4.470 -0.000 0.000 0.272 95 S C -0.361 174.228 174.600 -0.020 0.000 1.141 95 S CA -0.536 57.646 58.200 -0.030 0.000 0.843 95 S CB 1.770 64.955 63.200 -0.025 0.000 1.122 95 S HN 1.112 nan 8.310 nan 0.000 0.468 96 S N -0.388 115.300 115.700 -0.021 0.000 3.605 96 S HA 0.493 4.963 4.470 -0.000 0.000 0.301 96 S C 0.677 175.226 174.600 -0.085 0.000 1.083 96 S CA -0.711 57.460 58.200 -0.049 0.000 1.109 96 S CB 0.504 63.698 63.200 -0.011 0.000 1.364 96 S HN 0.731 nan 8.310 nan 0.000 0.758 97 R N 0.524 120.947 120.500 -0.127 0.000 2.093 97 R HA 0.229 4.569 4.340 -0.000 0.000 0.224 97 R C 0.864 177.020 176.300 -0.240 0.000 1.101 97 R CA 1.027 56.980 56.100 -0.246 0.000 0.979 97 R CB -0.068 29.987 30.300 -0.409 0.000 0.877 97 R HN 0.560 nan 8.270 nan 0.000 0.441 98 E N 0.380 120.526 120.200 -0.091 0.000 2.630 98 E HA 0.073 4.423 4.350 -0.000 0.000 0.218 98 E C -0.571 176.094 176.600 0.107 0.000 0.977 98 E CA -0.206 56.197 56.400 0.004 0.000 1.038 98 E CB 0.583 30.317 29.700 0.058 0.000 1.051 98 E HN 0.314 nan 8.360 nan 0.000 0.487 99 N N 0.754 119.500 118.700 0.077 0.000 2.416 99 N HA 0.396 5.136 4.740 -0.000 0.000 0.276 99 N C -1.424 174.118 175.510 0.054 0.000 1.261 99 N CA -0.760 52.344 53.050 0.090 0.000 0.790 99 N CB 2.479 41.026 38.487 0.101 0.000 1.554 99 N HN -0.066 nan 8.380 nan 0.000 0.481 100 L N 0.747 121.995 121.223 0.042 0.000 2.596 100 L HA 0.533 4.873 4.340 -0.000 0.000 0.265 100 L C -1.453 175.380 176.870 -0.063 0.000 0.962 100 L CA -0.304 54.520 54.840 -0.028 0.000 0.891 100 L CB 1.253 43.314 42.059 0.004 0.000 1.248 100 L HN 0.808 nan 8.230 nan 0.000 0.410 101 M N 2.909 122.400 119.600 -0.181 0.000 2.501 101 M HA 0.585 5.065 4.480 -0.000 0.000 0.293 101 M C -1.863 174.205 176.300 -0.386 0.000 1.192 101 M CA -0.681 54.459 55.300 -0.267 0.000 0.886 101 M CB 2.388 34.861 32.600 -0.212 0.000 1.710 101 M HN 0.424 nan 8.290 nan 0.000 0.457 102 Y N 1.286 121.411 120.300 -0.292 0.000 2.345 102 Y HA 0.546 5.096 4.550 -0.000 0.000 0.331 102 Y C -0.440 175.384 175.900 -0.127 0.000 0.959 102 Y CA -0.365 57.681 58.100 -0.090 0.000 1.204 102 Y CB 1.609 40.014 38.460 -0.092 0.000 1.135 102 Y HN 0.668 nan 8.280 nan 0.000 0.477 103 Q N 2.006 121.870 119.800 0.106 0.000 2.451 103 Q HA 0.973 5.313 4.340 -0.000 0.000 0.281 103 Q C -1.301 174.773 176.000 0.122 0.000 1.099 103 Q CA -1.523 54.324 55.803 0.073 0.000 0.806 103 Q CB 3.217 31.991 28.738 0.060 0.000 1.419 103 Q HN 0.703 nan 8.270 nan 0.000 0.427 104 A N 0.700 123.577 122.820 0.095 0.000 2.597 104 A HA 0.690 5.010 4.320 -0.000 0.000 0.292 104 A C -1.426 176.197 177.584 0.064 0.000 1.057 104 A CA -0.613 51.471 52.037 0.079 0.000 0.674 104 A CB 1.535 20.589 19.000 0.090 0.000 1.278 104 A HN 0.686 nan 8.150 nan 0.000 0.416 105 S N -0.104 115.605 115.700 0.016 0.000 2.513 105 S HA 0.906 5.376 4.470 -0.000 0.000 0.299 105 S C -0.246 174.288 174.600 -0.109 0.000 1.087 105 S CA 0.013 58.226 58.200 0.022 0.000 1.012 105 S CB 1.163 64.369 63.200 0.010 0.000 1.044 105 S HN 2.316 nan 8.310 nan 0.000 0.485 106 V N -1.043 118.827 119.914 -0.074 0.000 3.202 106 V HA 0.748 4.868 4.120 -0.000 0.000 0.306 106 V C -1.090 174.922 176.094 -0.135 0.000 1.283 106 V CA -1.442 60.755 62.300 -0.171 0.000 1.065 106 V CB 0.574 32.401 31.823 0.007 0.000 1.079 106 V HN 0.783 nan 8.190 nan 0.000 0.448 107 F N 1.866 121.877 119.950 0.103 0.000 2.450 107 F HA 0.410 4.937 4.527 -0.000 0.000 0.339 107 F C 1.989 177.881 175.800 0.153 0.000 1.146 107 F CA -0.022 58.068 58.000 0.150 0.000 1.267 107 F CB 0.260 39.317 39.000 0.095 0.000 1.178 107 F HN 0.582 nan 8.300 nan 0.000 0.585 108 N N 1.281 120.193 118.700 0.354 0.000 2.132 108 N HA -0.226 4.514 4.740 -0.000 0.000 0.191 108 N C 1.788 177.409 175.510 0.185 0.000 1.015 108 N CA 1.531 54.719 53.050 0.231 0.000 0.864 108 N CB -0.347 38.252 38.487 0.187 0.000 1.006 108 N HN 0.676 nan 8.380 nan 0.000 0.430 109 Q N 0.416 120.327 119.800 0.185 0.000 2.488 109 Q HA -0.045 4.295 4.340 -0.000 0.000 0.211 109 Q C -0.201 175.879 176.000 0.134 0.000 0.967 109 Q CA 1.042 56.924 55.803 0.132 0.000 0.926 109 Q CB 0.085 28.884 28.738 0.102 0.000 0.992 109 Q HN 0.209 nan 8.270 nan 0.000 0.506 110 D N 0.625 121.126 120.400 0.168 0.000 2.363 110 D HA 0.099 4.739 4.640 -0.000 0.000 0.214 110 D C 1.642 178.020 176.300 0.131 0.000 1.093 110 D CA -0.031 54.054 54.000 0.142 0.000 0.837 110 D CB 0.645 41.541 40.800 0.160 0.000 0.948 110 D HN 0.022 nan 8.370 nan 0.000 0.507 111 V N 0.997 121.003 119.914 0.153 0.000 2.255 111 V HA -0.216 3.904 4.120 -0.000 0.000 0.247 111 V C 2.625 178.823 176.094 0.175 0.000 1.051 111 V CA 2.287 64.697 62.300 0.182 0.000 1.018 111 V CB -0.916 31.034 31.823 0.212 0.000 0.641 111 V HN 0.284 nan 8.190 nan 0.000 0.445 112 G N -0.329 108.569 108.800 0.162 0.000 2.446 112 G HA2 -0.359 3.601 3.960 -0.000 0.000 0.217 112 G HA3 -0.359 3.601 3.960 -0.000 0.000 0.217 112 G C 1.604 176.563 174.900 0.098 0.000 1.168 112 G CA 1.332 46.550 45.100 0.196 0.000 0.771 112 G HN 0.464 nan 8.290 nan 0.000 0.551 113 K N -0.138 120.301 120.400 0.065 0.000 2.057 113 K HA 0.007 4.327 4.320 -0.000 0.000 0.207 113 K C 2.371 178.936 176.600 -0.058 0.000 1.049 113 K CA 1.460 57.744 56.287 -0.005 0.000 0.931 113 K CB -0.401 32.111 32.500 0.020 0.000 0.714 113 K HN 0.274 nan 8.250 nan 0.000 0.440 114 M N 0.023 119.619 119.600 -0.008 0.000 2.132 114 M HA -0.027 4.453 4.480 -0.000 0.000 0.263 114 M C 1.704 177.989 176.300 -0.025 0.000 1.065 114 M CA 1.264 56.555 55.300 -0.016 0.000 1.122 114 M CB -0.466 32.149 32.600 0.024 0.000 1.365 114 M HN 0.250 nan 8.290 nan 0.000 0.411 115 L N 0.270 121.490 121.223 -0.005 0.000 2.083 115 L HA -0.207 4.133 4.340 -0.000 0.000 0.209 115 L C 2.366 179.075 176.870 -0.269 0.000 1.083 115 L CA 2.144 56.972 54.840 -0.020 0.000 0.752 115 L CB -1.102 41.058 42.059 0.168 0.000 0.899 115 L HN 0.635 nan 8.230 nan 0.000 0.433 116 Q N -0.827 118.637 119.800 -0.560 0.000 2.050 116 Q HA -0.195 4.145 4.340 -0.000 0.000 0.202 116 Q C 2.247 178.039 176.000 -0.347 0.000 0.980 116 Q CA 1.933 57.208 55.803 -0.881 0.000 0.840 116 Q CB -0.177 28.010 28.738 -0.919 0.000 0.898 116 Q HN 0.616 nan 8.270 nan 0.000 0.424 117 L N -0.055 121.056 121.223 -0.186 0.000 2.046 117 L HA -0.204 4.136 4.340 -0.000 0.000 0.208 117 L C 2.665 179.514 176.870 -0.034 0.000 1.077 117 L CA 1.117 55.924 54.840 -0.054 0.000 0.747 117 L CB -0.382 41.677 42.059 0.001 0.000 0.896 117 L HN 0.381 nan 8.230 nan 0.000 0.432 118 M N -0.282 119.303 119.600 -0.026 0.000 2.086 118 M HA -0.188 4.292 4.480 -0.000 0.000 0.261 118 M C 2.567 178.669 176.300 -0.329 0.000 1.067 118 M CA 2.230 57.443 55.300 -0.145 0.000 1.116 118 M CB -0.432 32.127 32.600 -0.069 0.000 1.348 118 M HN 0.362 nan 8.290 nan 0.000 0.407 119 S N -0.415 115.134 115.700 -0.252 0.000 2.447 119 S HA -0.080 4.390 4.470 -0.000 0.000 0.233 119 S C 1.684 176.124 174.600 -0.267 0.000 1.006 119 S CA 0.750 58.774 58.200 -0.293 0.000 0.957 119 S CB -0.339 62.766 63.200 -0.157 0.000 0.773 119 S HN 0.378 nan 8.310 nan 0.000 0.507 120 E N 1.344 121.462 120.200 -0.138 0.000 2.028 120 E HA -0.081 4.269 4.350 -0.000 0.000 0.191 120 E C 2.227 178.748 176.600 -0.133 0.000 0.988 120 E CA 1.507 57.917 56.400 0.017 0.000 0.799 120 E CB -0.958 28.765 29.700 0.038 0.000 0.755 120 E HN 0.575 nan 8.360 nan 0.000 0.447 121 T N 0.343 114.741 114.554 -0.261 0.000 2.962 121 T HA -0.052 4.298 4.350 -0.000 0.000 0.270 121 T C 1.802 176.246 174.700 -0.427 0.000 1.088 121 T CA 0.662 62.557 62.100 -0.342 0.000 1.127 121 T CB 0.065 68.614 68.868 -0.531 0.000 0.883 121 T HN -0.096 nan 8.240 nan 0.000 0.493 122 V N 0.457 120.043 119.914 -0.545 0.000 2.725 122 V HA 0.148 4.268 4.120 -0.000 0.000 0.247 122 V C 2.523 178.306 176.094 -0.519 0.000 1.058 122 V CA 1.248 63.245 62.300 -0.505 0.000 1.080 122 V CB -0.261 31.183 31.823 -0.631 0.000 0.713 122 V HN 0.351 nan 8.190 nan 0.000 0.465 123 R N -1.429 118.628 120.500 -0.738 0.000 2.195 123 R HA 0.208 4.548 4.340 -0.000 0.000 0.197 123 R C 0.410 176.072 176.300 -1.063 0.000 0.990 123 R CA 0.541 55.972 56.100 -1.114 0.000 1.048 123 R CB 0.330 29.604 30.300 -1.710 0.000 0.997 123 R HN 0.461 nan 8.270 nan 0.000 0.502 124 F N 1.561 121.350 119.950 -0.268 0.000 2.749 124 F HA 0.320 4.847 4.527 -0.000 0.000 0.380 124 F C -2.256 173.410 175.800 -0.224 0.000 1.365 124 F CA -2.578 55.278 58.000 -0.239 0.000 1.186 124 F CB 0.686 39.505 39.000 -0.302 0.000 1.080 124 F HN -0.208 nan 8.300 nan 0.000 0.513 125 P HA 0.073 nan 4.420 nan 0.000 0.271 125 P C 0.331 177.588 177.300 -0.071 0.000 1.218 125 P CA 0.016 63.055 63.100 -0.103 0.000 0.780 125 P CB 1.800 33.407 31.700 -0.155 0.000 0.901 126 K N 1.835 122.200 120.400 -0.057 0.000 2.128 126 K HA 0.141 4.461 4.320 -0.000 0.000 0.202 126 K C 0.673 177.248 176.600 -0.042 0.000 1.050 126 K CA 0.141 56.401 56.287 -0.046 0.000 0.966 126 K CB -0.295 32.181 32.500 -0.040 0.000 0.759 126 K HN 0.456 nan 8.250 nan 0.000 0.454 127 I N 3.177 123.721 120.570 -0.043 0.000 7.277 127 I HA -0.262 3.908 4.170 -0.000 0.000 0.126 127 I C 0.236 176.340 176.117 -0.023 0.000 1.720 127 I CA 0.194 61.472 61.300 -0.036 0.000 2.268 127 I CB -1.842 36.130 38.000 -0.047 0.000 3.404 127 I HN 0.338 nan 8.210 nan 0.000 0.234 128 T N -0.935 113.609 114.554 -0.017 0.000 2.828 128 T HA 0.262 4.612 4.350 -0.000 0.000 0.290 128 T C 1.255 175.952 174.700 -0.005 0.000 1.019 128 T CA -0.219 61.875 62.100 -0.010 0.000 1.031 128 T CB 1.567 70.430 68.868 -0.008 0.000 1.001 128 T HN 0.482 nan 8.240 nan 0.000 0.531 129 E N 0.140 120.339 120.200 -0.002 0.000 2.085 129 E HA -0.237 4.113 4.350 -0.000 0.000 0.194 129 E C 2.217 178.818 176.600 0.002 0.000 0.994 129 E CA 1.196 57.597 56.400 0.002 0.000 0.801 129 E CB -0.120 29.582 29.700 0.004 0.000 0.743 129 E HN 0.740 nan 8.360 nan 0.000 0.453 130 Q N 0.756 120.557 119.800 0.001 0.000 2.050 130 Q HA -0.218 4.122 4.340 -0.000 0.000 0.202 130 Q C 1.930 177.931 176.000 0.002 0.000 0.980 130 Q CA 1.448 57.253 55.803 0.003 0.000 0.840 130 Q CB 0.076 28.816 28.738 0.004 0.000 0.898 130 Q HN 0.329 nan 8.270 nan 0.000 0.424 131 E N 0.122 120.322 120.200 -0.000 0.000 2.110 131 E HA -0.206 4.144 4.350 -0.000 0.000 0.193 131 E C 1.950 178.546 176.600 -0.006 0.000 0.988 131 E CA 0.887 57.286 56.400 -0.001 0.000 0.804 131 E CB -0.058 29.640 29.700 -0.003 0.000 0.745 131 E HN 0.211 nan 8.360 nan 0.000 0.458 132 L N 1.079 122.298 121.223 -0.007 0.000 2.072 132 L HA -0.162 4.178 4.340 -0.000 0.000 0.205 132 L C 2.327 179.193 176.870 -0.007 0.000 1.079 132 L CA 1.727 56.562 54.840 -0.009 0.000 0.752 132 L CB -0.447 41.611 42.059 -0.002 0.000 0.906 132 L HN -0.024 nan 8.230 nan 0.000 0.436 133 Q N 0.233 120.031 119.800 -0.003 0.000 2.096 133 Q HA -0.230 4.110 4.340 -0.000 0.000 0.204 133 Q C 2.111 178.106 176.000 -0.008 0.000 0.982 133 Q CA 2.091 57.892 55.803 -0.005 0.000 0.850 133 Q CB -0.215 28.522 28.738 -0.001 0.000 0.901 133 Q HN 0.649 nan 8.270 nan 0.000 0.422 134 E N -0.734 119.465 120.200 -0.002 0.000 2.038 134 E HA -0.214 4.136 4.350 -0.000 0.000 0.195 134 E C 2.009 178.607 176.600 -0.002 0.000 1.000 134 E CA 1.259 57.661 56.400 0.004 0.000 0.803 134 E CB 0.002 29.709 29.700 0.010 0.000 0.750 134 E HN 0.346 nan 8.360 nan 0.000 0.448 135 Q N 0.594 120.387 119.800 -0.013 0.000 2.226 135 Q HA -0.126 4.214 4.340 -0.000 0.000 0.204 135 Q C 1.837 177.820 176.000 -0.028 0.000 0.975 135 Q CA 1.190 56.976 55.803 -0.027 0.000 0.866 135 Q CB -0.082 28.626 28.738 -0.050 0.000 0.915 135 Q HN 0.214 nan 8.270 nan 0.000 0.440 136 K N 0.138 120.522 120.400 -0.027 0.000 2.007 136 K HA -0.100 4.220 4.320 -0.000 0.000 0.206 136 K C 2.048 178.611 176.600 -0.061 0.000 1.047 136 K CA 0.709 56.977 56.287 -0.031 0.000 0.937 136 K CB -0.278 32.208 32.500 -0.023 0.000 0.718 136 K HN 0.053 nan 8.250 nan 0.000 0.438 137 L N 1.159 122.339 121.223 -0.073 0.000 2.013 137 L HA -0.221 4.119 4.340 -0.000 0.000 0.212 137 L C 2.267 179.025 176.870 -0.186 0.000 1.073 137 L CA 2.141 56.894 54.840 -0.146 0.000 0.753 137 L CB -1.051 40.960 42.059 -0.079 0.000 0.890 137 L HN 0.140 nan 8.230 nan 0.000 0.432 138 S N -0.807 114.870 115.700 -0.038 0.000 2.423 138 S HA -0.086 4.384 4.470 -0.000 0.000 0.231 138 S C 2.090 176.721 174.600 0.053 0.000 1.014 138 S CA 1.024 59.258 58.200 0.056 0.000 0.965 138 S CB -0.506 62.735 63.200 0.069 0.000 0.785 138 S HN 0.682 nan 8.310 nan 0.000 0.495 139 A N 1.175 124.004 122.820 0.015 0.000 1.930 139 A HA -0.003 4.317 4.320 -0.000 0.000 0.217 139 A C 2.037 179.644 177.584 0.037 0.000 1.175 139 A CA 1.318 53.394 52.037 0.065 0.000 0.627 139 A CB -0.610 18.432 19.000 0.070 0.000 0.815 139 A HN 0.698 nan 8.150 nan 0.000 0.443 140 E N -0.983 119.179 120.200 -0.063 0.000 2.058 140 E HA -0.226 4.124 4.350 -0.000 0.000 0.194 140 E C 1.828 178.427 176.600 -0.001 0.000 0.997 140 E CA 1.590 57.934 56.400 -0.093 0.000 0.801 140 E CB -0.370 29.176 29.700 -0.256 0.000 0.746 140 E HN 0.750 nan 8.360 nan 0.000 0.450 141 Y N 1.165 121.494 120.300 0.047 0.000 2.224 141 Y HA -0.162 4.387 4.550 -0.000 0.000 0.289 141 Y C 2.292 178.219 175.900 0.046 0.000 1.146 141 Y CA 0.968 59.094 58.100 0.043 0.000 1.182 141 Y CB -0.545 37.933 38.460 0.031 0.000 0.983 141 Y HN 0.131 nan 8.280 nan 0.000 0.524 142 E N -0.059 120.260 120.200 0.198 0.000 2.077 142 E HA -0.191 4.159 4.350 -0.000 0.000 0.193 142 E C 1.934 178.583 176.600 0.082 0.000 0.989 142 E CA 1.250 57.724 56.400 0.123 0.000 0.800 142 E CB -0.171 29.602 29.700 0.122 0.000 0.746 142 E HN 0.302 nan 8.360 nan 0.000 0.452 143 I N 1.976 122.602 120.570 0.095 0.000 2.252 143 I HA -0.240 3.930 4.170 -0.000 0.000 0.245 143 I C 1.831 178.087 176.117 0.230 0.000 1.102 143 I CA 1.239 62.605 61.300 0.111 0.000 1.385 143 I CB -0.393 37.699 38.000 0.153 0.000 1.064 143 I HN 0.064 nan 8.210 nan 0.000 0.414 144 D N 0.431 120.963 120.400 0.221 0.000 2.123 144 D HA -0.190 4.450 4.640 -0.000 0.000 0.196 144 D C 2.166 178.586 176.300 0.199 0.000 0.992 144 D CA 1.230 55.370 54.000 0.233 0.000 0.833 144 D CB -0.181 40.744 40.800 0.207 0.000 0.954 144 D HN 0.445 nan 8.370 nan 0.000 0.455 145 E N 0.046 120.328 120.200 0.137 0.000 2.072 145 E HA -0.086 4.264 4.350 -0.000 0.000 0.191 145 E C 2.285 178.913 176.600 0.046 0.000 0.985 145 E CA 0.363 56.812 56.400 0.081 0.000 0.801 145 E CB 0.146 29.874 29.700 0.047 0.000 0.750 145 E HN 0.045 nan 8.360 nan 0.000 0.452 146 V N 0.264 120.174 119.914 -0.007 0.000 2.392 146 V HA -0.235 3.885 4.120 -0.000 0.000 0.249 146 V C 1.425 177.426 176.094 -0.156 0.000 1.059 146 V CA 1.601 63.818 62.300 -0.139 0.000 1.051 146 V CB -0.499 31.155 31.823 -0.283 0.000 0.658 146 V HN 0.441 nan 8.190 nan 0.000 0.455 147 W N -0.883 120.408 121.300 -0.014 0.000 2.982 147 W HA 0.064 4.724 4.660 -0.000 0.000 0.239 147 W C 1.984 178.508 176.519 0.008 0.000 1.303 147 W CA 0.386 57.724 57.345 -0.011 0.000 1.448 147 W CB -0.285 29.172 29.460 -0.006 0.000 1.133 147 W HN 0.253 nan 8.180 nan 0.000 0.698 148 M N -0.845 118.863 119.600 0.181 0.000 2.313 148 M HA 0.109 4.589 4.480 -0.000 0.000 0.273 148 M C 0.079 176.436 176.300 0.095 0.000 1.049 148 M CA 0.496 55.893 55.300 0.161 0.000 1.004 148 M CB 0.430 33.116 32.600 0.142 0.000 1.461 148 M HN -0.350 nan 8.290 nan 0.000 0.514 149 K N 0.901 121.315 120.400 0.024 0.000 2.334 149 K HA 0.275 4.595 4.320 -0.000 0.000 0.265 149 K C -2.168 174.391 176.600 -0.068 0.000 1.039 149 K CA -1.647 54.627 56.287 -0.021 0.000 0.920 149 K CB 1.362 33.831 32.500 -0.051 0.000 1.160 149 K HN -0.231 nan 8.250 nan 0.000 0.451 150 P HA -0.213 nan 4.420 nan 0.000 0.216 150 P C 0.231 177.417 177.300 -0.191 0.000 1.150 150 P CA 1.256 64.225 63.100 -0.219 0.000 0.837 150 P CB 0.298 31.725 31.700 -0.455 0.000 0.786 151 E N -0.956 119.171 120.200 -0.121 0.000 2.333 151 E HA -0.102 4.248 4.350 -0.000 0.000 0.198 151 E C 1.684 178.224 176.600 -0.101 0.000 1.007 151 E CA 0.878 57.228 56.400 -0.083 0.000 0.845 151 E CB -0.929 28.747 29.700 -0.041 0.000 0.766 151 E HN 0.309 nan 8.360 nan 0.000 0.507 152 L N -0.683 120.459 121.223 -0.136 0.000 2.445 152 L HA 0.081 4.421 4.340 -0.000 0.000 0.207 152 L C 2.026 178.753 176.870 -0.239 0.000 1.053 152 L CA 0.108 54.840 54.840 -0.181 0.000 0.841 152 L CB -0.115 41.818 42.059 -0.209 0.000 1.074 152 L HN 0.011 nan 8.230 nan 0.000 0.479 153 V N 0.366 120.135 119.914 -0.241 0.000 2.307 153 V HA -0.248 3.872 4.120 -0.000 0.000 0.245 153 V C 2.537 178.538 176.094 -0.154 0.000 1.045 153 V CA 1.275 63.422 62.300 -0.254 0.000 1.024 153 V CB -0.375 31.379 31.823 -0.115 0.000 0.651 153 V HN 0.267 nan 8.190 nan 0.000 0.449 154 L N -0.139 121.006 121.223 -0.130 0.000 2.012 154 L HA -0.119 4.221 4.340 -0.000 0.000 0.210 154 L C 0.319 177.121 176.870 -0.113 0.000 1.073 154 L CA 2.604 57.382 54.840 -0.103 0.000 0.748 154 L CB -2.711 39.287 42.059 -0.101 0.000 0.891 154 L HN 0.349 nan 8.230 nan 0.000 0.431 155 P HA -0.164 nan 4.420 nan 0.000 0.218 155 P C 1.477 178.759 177.300 -0.030 0.000 1.149 155 P CA 1.064 64.101 63.100 -0.104 0.000 0.817 155 P CB 0.176 31.829 31.700 -0.078 0.000 0.785 156 E N 0.201 120.332 120.200 -0.115 0.000 2.031 156 E HA -0.166 4.184 4.350 -0.000 0.000 0.193 156 E C 1.875 178.450 176.600 -0.042 0.000 0.994 156 E CA 1.296 57.621 56.400 -0.126 0.000 0.800 156 E CB -1.253 28.292 29.700 -0.258 0.000 0.752 156 E HN 0.088 nan 8.360 nan 0.000 0.447 157 L N 0.144 121.341 121.223 -0.043 0.000 2.042 157 L HA -0.169 4.171 4.340 -0.000 0.000 0.210 157 L C 2.606 179.450 176.870 -0.042 0.000 1.076 157 L CA 1.012 55.843 54.840 -0.015 0.000 0.749 157 L CB -0.665 41.388 42.059 -0.010 0.000 0.893 157 L HN 0.281 nan 8.230 nan 0.000 0.432 158 L N -0.402 120.775 121.223 -0.077 0.000 1.990 158 L HA -0.276 4.064 4.340 -0.000 0.000 0.213 158 L C 2.466 179.250 176.870 -0.144 0.000 1.072 158 L CA 2.029 56.784 54.840 -0.142 0.000 0.755 158 L CB -0.586 41.324 42.059 -0.248 0.000 0.889 158 L HN 0.186 nan 8.230 nan 0.000 0.432 159 H N -1.161 117.849 119.070 -0.099 0.000 2.321 159 H HA -0.119 4.437 4.556 -0.000 0.000 0.300 159 H C 2.159 177.507 175.328 0.033 0.000 1.087 159 H CA 2.066 58.114 56.048 -0.000 0.000 1.319 159 H CB -0.719 29.001 29.762 -0.070 0.000 1.379 159 H HN 0.348 nan 8.280 nan 0.000 0.501 160 T N 0.181 114.793 114.554 0.097 0.000 2.665 160 T HA -0.246 4.104 4.350 -0.000 0.000 0.268 160 T C 2.287 176.984 174.700 -0.005 0.000 1.035 160 T CA 1.493 63.620 62.100 0.044 0.000 1.151 160 T CB -0.547 68.334 68.868 0.021 0.000 0.862 160 T HN 0.514 nan 8.240 nan 0.000 0.438 161 A N 1.103 123.889 122.820 -0.056 0.000 1.929 161 A HA 0.346 4.666 4.320 -0.000 0.000 0.216 161 A C 2.631 180.076 177.584 -0.232 0.000 1.176 161 A CA 1.495 53.459 52.037 -0.121 0.000 0.628 161 A CB -0.969 17.958 19.000 -0.122 0.000 0.816 161 A HN 0.495 nan 8.150 nan 0.000 0.444 162 A N -1.649 120.997 122.820 -0.290 0.000 1.978 162 A HA -0.053 4.267 4.320 -0.000 0.000 0.220 162 A C 1.515 178.538 177.584 -0.936 0.000 1.170 162 A CA 1.494 53.147 52.037 -0.639 0.000 0.636 162 A CB -0.563 18.114 19.000 -0.538 0.000 0.810 162 A HN 0.643 nan 8.150 nan 0.000 0.448 163 Y N -1.354 118.822 120.300 -0.207 0.000 2.682 163 Y HA 0.283 4.833 4.550 -0.000 0.000 0.251 163 Y C 0.947 176.775 175.900 -0.119 0.000 1.172 163 Y CA 0.071 58.079 58.100 -0.152 0.000 1.186 163 Y CB 0.118 38.529 38.460 -0.083 0.000 1.216 163 Y HN 0.172 nan 8.280 nan 0.000 0.540 164 S N 0.527 116.203 115.700 -0.041 0.000 3.631 164 S HA -0.204 4.266 4.470 -0.000 0.000 0.366 164 S C 1.556 176.158 174.600 0.003 0.000 0.993 164 S CA 0.983 59.164 58.200 -0.032 0.000 1.167 164 S CB -1.652 61.522 63.200 -0.042 0.000 0.909 164 S HN 1.216 nan 8.310 nan 0.000 0.478 165 G N -0.531 108.280 108.800 0.019 0.000 2.166 165 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.260 165 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.260 165 G C -0.228 174.670 174.900 -0.003 0.000 0.986 165 G CA 0.707 45.812 45.100 0.008 0.000 0.683 165 G HN 0.633 nan 8.290 nan 0.000 0.527 166 E N -0.077 120.130 120.200 0.011 0.000 2.221 166 E HA 0.559 4.909 4.350 -0.000 0.000 0.268 166 E C 1.490 178.032 176.600 -0.096 0.000 0.933 166 E CA 0.297 56.684 56.400 -0.023 0.000 0.809 166 E CB 1.444 31.147 29.700 0.005 0.000 1.190 166 E HN 0.811 nan 8.360 nan 0.000 0.406 167 T N -0.484 113.977 114.554 -0.155 0.000 12.930 167 T HA -0.384 3.966 4.350 -0.000 0.000 0.400 167 T C 1.583 176.031 174.700 -0.420 0.000 1.463 167 T CA 1.861 63.786 62.100 -0.292 0.000 2.252 167 T CB -1.218 67.472 68.868 -0.296 0.000 2.673 167 T HN 0.480 nan 8.240 nan 0.000 0.523 168 L N 2.111 122.951 121.223 -0.638 0.000 2.450 168 L HA 0.183 4.523 4.340 -0.000 0.000 0.224 168 L C 2.747 179.363 176.870 -0.423 0.000 1.149 168 L CA 1.312 55.693 54.840 -0.765 0.000 0.816 168 L CB -0.715 40.597 42.059 -1.244 0.000 0.932 168 L HN 0.862 nan 8.230 nan 0.000 0.449 169 G N -1.781 106.888 108.800 -0.218 0.000 3.159 169 G HA2 -0.021 3.939 3.960 -0.000 0.000 0.232 169 G HA3 -0.021 3.939 3.960 -0.000 0.000 0.232 169 G C 0.484 175.357 174.900 -0.044 0.000 1.116 169 G CA -0.113 45.005 45.100 0.030 0.000 0.767 169 G HN 0.147 nan 8.290 nan 0.000 0.547 170 S N 1.737 117.366 115.700 -0.118 0.000 2.531 170 S HA 0.373 4.843 4.470 -0.000 0.000 0.279 170 S C -2.291 172.245 174.600 -0.105 0.000 1.305 170 S CA -1.137 57.006 58.200 -0.096 0.000 1.058 170 S CB 0.737 63.867 63.200 -0.116 0.000 0.899 170 S HN -0.010 nan 8.310 nan 0.000 0.493 171 P HA -0.081 nan 4.420 nan 0.000 0.259 171 P C 0.373 177.598 177.300 -0.125 0.000 1.155 171 P CA 0.114 63.168 63.100 -0.076 0.000 0.759 171 P CB 0.298 31.984 31.700 -0.023 0.000 0.753 172 L N 5.119 126.234 121.223 -0.179 0.000 2.375 172 L HA 0.209 4.549 4.340 -0.000 0.000 0.215 172 L C 0.582 177.316 176.870 -0.227 0.000 1.108 172 L CA 1.087 55.797 54.840 -0.216 0.000 0.830 172 L CB -0.088 41.808 42.059 -0.273 0.000 0.959 172 L HN 0.246 nan 8.230 nan 0.000 0.457 173 I N 0.276 120.713 120.570 -0.222 0.000 2.312 173 I HA 0.125 4.295 4.170 -0.000 0.000 0.290 173 I C -0.167 175.894 176.117 -0.094 0.000 1.008 173 I CA -0.660 60.496 61.300 -0.239 0.000 1.226 173 I CB 0.977 38.744 38.000 -0.388 0.000 1.371 173 I HN -0.005 nan 8.210 nan 0.000 0.468 174 C N 9.082 128.337 119.300 -0.074 0.000 2.632 174 C HA 0.252 4.712 4.460 -0.000 0.000 0.415 174 C C -1.875 173.157 174.990 0.071 0.000 1.332 174 C CA -1.154 57.863 59.018 -0.002 0.000 1.874 174 C CB -0.277 27.462 27.740 -0.001 0.000 2.596 174 C HN 0.505 nan 8.230 nan 0.000 0.590 175 P HA 0.048 nan 4.420 nan 0.000 0.262 175 P C 0.726 178.067 177.300 0.067 0.000 1.182 175 P CA 0.414 63.568 63.100 0.090 0.000 0.761 175 P CB 0.308 32.033 31.700 0.042 0.000 0.795 176 R N 3.290 123.836 120.500 0.076 0.000 2.083 176 R HA -0.143 4.197 4.340 -0.000 0.000 0.237 176 R C 2.136 178.443 176.300 0.011 0.000 1.137 176 R CA 2.136 58.264 56.100 0.046 0.000 0.951 176 R CB -1.037 29.284 30.300 0.034 0.000 0.851 176 R HN 0.684 nan 8.270 nan 0.000 0.434 177 G N 0.104 108.903 108.800 -0.002 0.000 2.625 177 G HA2 -0.128 3.832 3.960 -0.000 0.000 0.214 177 G HA3 -0.128 3.832 3.960 -0.000 0.000 0.214 177 G C 1.233 176.128 174.900 -0.007 0.000 1.132 177 G CA 0.167 45.261 45.100 -0.010 0.000 0.782 177 G HN 0.253 nan 8.290 nan 0.000 0.538 178 L N -0.160 121.061 121.223 -0.003 0.000 2.567 178 L HA 0.304 4.644 4.340 -0.000 0.000 0.225 178 L C 2.409 179.276 176.870 -0.005 0.000 1.119 178 L CA -0.132 54.702 54.840 -0.010 0.000 0.871 178 L CB -0.007 42.043 42.059 -0.016 0.000 1.036 178 L HN 0.178 nan 8.230 nan 0.000 0.459 179 I N 0.966 121.537 120.570 0.002 0.000 2.252 179 I HA -0.171 3.999 4.170 -0.000 0.000 0.245 179 I C -0.369 175.751 176.117 0.005 0.000 1.102 179 I CA 1.299 62.602 61.300 0.005 0.000 1.385 179 I CB -0.986 37.016 38.000 0.003 0.000 1.064 179 I HN 0.207 nan 8.210 nan 0.000 0.414 180 P HA -0.114 nan 4.420 nan 0.000 0.222 180 P C 1.289 178.606 177.300 0.029 0.000 1.147 180 P CA 1.238 64.342 63.100 0.007 0.000 0.790 180 P CB -0.076 31.623 31.700 -0.002 0.000 0.780 181 S N -1.732 113.988 115.700 0.034 0.000 2.605 181 S HA 0.141 4.611 4.470 -0.000 0.000 0.217 181 S C 0.647 175.314 174.600 0.112 0.000 0.958 181 S CA -0.323 57.918 58.200 0.069 0.000 0.919 181 S CB -1.019 62.210 63.200 0.048 0.000 0.780 181 S HN 0.011 nan 8.310 nan 0.000 0.507 182 I N 3.985 124.604 120.570 0.081 0.000 2.329 182 I HA 0.157 4.327 4.170 -0.000 0.000 0.295 182 I C 0.629 176.842 176.117 0.159 0.000 1.109 182 I CA -0.304 61.065 61.300 0.115 0.000 1.297 182 I CB 0.379 38.410 38.000 0.052 0.000 1.433 182 I HN 0.362 nan 8.210 nan 0.000 0.509 183 S N 5.074 120.944 115.700 0.283 0.000 2.713 183 S HA 0.316 4.786 4.470 -0.000 0.000 0.283 183 S C 0.937 175.634 174.600 0.163 0.000 1.161 183 S CA -0.854 57.470 58.200 0.206 0.000 0.999 183 S CB 2.065 65.396 63.200 0.218 0.000 1.039 183 S HN 0.656 nan 8.310 nan 0.000 0.548 184 K N -0.332 120.126 120.400 0.098 0.000 2.147 184 K HA -0.163 4.157 4.320 -0.000 0.000 0.205 184 K C 1.878 178.504 176.600 0.043 0.000 1.049 184 K CA 1.283 57.603 56.287 0.054 0.000 0.936 184 K CB -0.471 32.047 32.500 0.032 0.000 0.722 184 K HN 0.753 nan 8.250 nan 0.000 0.446 185 Y N 0.150 120.412 120.300 -0.065 0.000 2.128 185 Y HA -0.314 4.236 4.550 -0.000 0.000 0.284 185 Y C 1.566 177.383 175.900 -0.138 0.000 1.154 185 Y CA 1.877 59.886 58.100 -0.152 0.000 1.149 185 Y CB -0.339 37.947 38.460 -0.290 0.000 0.976 185 Y HN 0.080 nan 8.280 nan 0.000 0.505 186 Y N 0.002 120.337 120.300 0.059 0.000 2.293 186 Y HA -0.177 4.373 4.550 -0.000 0.000 0.291 186 Y C 2.338 178.225 175.900 -0.022 0.000 1.137 186 Y CA 1.397 59.492 58.100 -0.007 0.000 1.202 186 Y CB -0.623 37.921 38.460 0.139 0.000 0.990 186 Y HN 0.155 nan 8.280 nan 0.000 0.537 187 L N -0.917 120.380 121.223 0.124 0.000 2.083 187 L HA -0.231 4.109 4.340 -0.000 0.000 0.209 187 L C 2.160 179.040 176.870 0.017 0.000 1.083 187 L CA 1.151 56.027 54.840 0.059 0.000 0.752 187 L CB -0.644 41.417 42.059 0.003 0.000 0.899 187 L HN 0.250 nan 8.230 nan 0.000 0.433 188 L N -0.499 120.678 121.223 -0.077 0.000 2.093 188 L HA -0.212 4.128 4.340 -0.000 0.000 0.208 188 L C 2.178 178.969 176.870 -0.132 0.000 1.085 188 L CA 1.218 55.987 54.840 -0.118 0.000 0.755 188 L CB -0.502 41.467 42.059 -0.151 0.000 0.904 188 L HN 0.286 nan 8.230 nan 0.000 0.435 189 D N -0.645 119.618 120.400 -0.228 0.000 2.117 189 D HA -0.275 4.365 4.640 -0.000 0.000 0.197 189 D C 2.072 178.374 176.300 0.003 0.000 0.987 189 D CA 1.219 55.106 54.000 -0.188 0.000 0.829 189 D CB -0.027 40.619 40.800 -0.257 0.000 0.961 189 D HN 0.263 nan 8.370 nan 0.000 0.460 190 Y N 1.247 121.566 120.300 0.032 0.000 2.133 190 Y HA -0.086 4.464 4.550 -0.000 0.000 0.287 190 Y C 2.235 178.264 175.900 0.214 0.000 1.134 190 Y CA 1.726 59.951 58.100 0.208 0.000 1.133 190 Y CB -0.147 38.470 38.460 0.263 0.000 0.987 190 Y HN -0.121 nan 8.280 nan 0.000 0.502 191 R N -0.090 120.621 120.500 0.352 0.000 2.091 191 R HA -0.186 4.154 4.340 -0.000 0.000 0.238 191 R C 1.702 178.072 176.300 0.116 0.000 1.136 191 R CA 1.479 57.688 56.100 0.181 0.000 0.959 191 R CB -0.561 29.632 30.300 -0.178 0.000 0.856 191 R HN 0.379 nan 8.270 nan 0.000 0.437 192 N N 0.760 119.454 118.700 -0.009 0.000 2.520 192 N HA -0.091 4.649 4.740 -0.000 0.000 0.185 192 N C 1.162 176.566 175.510 -0.175 0.000 1.068 192 N CA 1.059 54.068 53.050 -0.068 0.000 0.911 192 N CB 0.126 38.560 38.487 -0.088 0.000 0.961 192 N HN 0.327 nan 8.380 nan 0.000 0.446 193 K N -0.937 119.269 120.400 -0.324 0.000 2.168 193 K HA 0.156 4.476 4.320 -0.000 0.000 0.201 193 K C 0.843 176.931 176.600 -0.853 0.000 1.049 193 K CA 0.647 56.506 56.287 -0.713 0.000 0.974 193 K CB 0.187 31.977 32.500 -1.182 0.000 0.792 193 K HN 0.036 nan 8.250 nan 0.000 0.463 194 F N -1.179 118.701 119.950 -0.117 0.000 2.694 194 F HA 0.165 4.692 4.527 -0.000 0.000 0.292 194 F C 0.279 176.076 175.800 -0.004 0.000 1.121 194 F CA -0.399 57.522 58.000 -0.133 0.000 1.352 194 F CB 0.112 38.949 39.000 -0.271 0.000 1.107 194 F HN -0.154 nan 8.300 nan 0.000 0.597 195 Y N 2.321 122.717 120.300 0.160 0.000 2.568 195 Y HA 0.332 4.882 4.550 -0.000 0.000 0.338 195 Y C 0.702 176.696 175.900 0.157 0.000 1.245 195 Y CA -0.864 57.393 58.100 0.262 0.000 1.667 195 Y CB -0.634 38.002 38.460 0.294 0.000 1.568 195 Y HN -0.086 nan 8.280 nan 0.000 0.471 196 T N -0.888 113.604 114.554 -0.103 0.000 2.900 196 T HA 0.322 4.672 4.350 -0.000 0.000 0.295 196 T C -2.146 171.965 174.700 -0.982 0.000 1.044 196 T CA -2.495 59.235 62.100 -0.617 0.000 0.995 196 T CB 2.748 71.359 68.868 -0.429 0.000 1.072 196 T HN 0.060 nan 8.240 nan 0.000 0.473 197 P HA -0.176 nan 4.420 nan 0.000 0.218 197 P C 1.178 178.231 177.300 -0.412 0.000 1.148 197 P CA 1.292 63.799 63.100 -0.987 0.000 0.822 197 P CB 0.163 31.388 31.700 -0.792 0.000 0.784 198 E N -0.196 119.781 120.200 -0.372 0.000 2.478 198 E HA -0.128 4.222 4.350 -0.000 0.000 0.198 198 E C 0.935 177.445 176.600 -0.149 0.000 1.046 198 E CA 0.700 56.978 56.400 -0.203 0.000 0.870 198 E CB -0.925 28.666 29.700 -0.182 0.000 0.818 198 E HN 0.191 nan 8.360 nan 0.000 0.527 199 N N 0.223 118.815 118.700 -0.179 0.000 2.238 199 N HA 0.069 4.809 4.740 -0.000 0.000 0.222 199 N C -1.152 174.327 175.510 -0.051 0.000 1.133 199 N CA 0.036 53.022 53.050 -0.106 0.000 0.854 199 N CB 0.737 39.157 38.487 -0.112 0.000 1.041 199 N HN -0.061 nan 8.380 nan 0.000 0.510 200 T N -0.880 113.656 114.554 -0.029 0.000 2.906 200 T HA 0.547 4.897 4.350 -0.000 0.000 0.295 200 T C -1.037 173.732 174.700 0.116 0.000 1.061 200 T CA -0.540 61.605 62.100 0.074 0.000 1.000 200 T CB 2.380 71.352 68.868 0.173 0.000 1.103 200 T HN -0.303 nan 8.240 nan 0.000 0.486 201 V N 1.562 121.585 119.914 0.181 0.000 2.638 201 V HA 0.778 4.898 4.120 -0.000 0.000 0.306 201 V C -0.436 175.819 176.094 0.268 0.000 1.052 201 V CA -0.905 61.517 62.300 0.204 0.000 0.885 201 V CB 1.732 33.659 31.823 0.173 0.000 0.999 201 V HN 1.113 nan 8.190 nan 0.000 0.424 202 A N 3.864 126.824 122.820 0.234 0.000 2.271 202 A HA 0.954 5.274 4.320 -0.000 0.000 0.317 202 A C -0.073 177.611 177.584 0.166 0.000 1.245 202 A CA -0.119 52.027 52.037 0.183 0.000 0.857 202 A CB 1.124 20.289 19.000 0.274 0.000 1.175 202 A HN 1.371 nan 8.150 nan 0.000 0.512 203 A N 1.863 124.659 122.820 -0.039 0.000 2.413 203 A HA 0.945 5.264 4.320 -0.000 0.000 0.307 203 A C -1.235 176.136 177.584 -0.355 0.000 1.087 203 A CA -0.445 51.609 52.037 0.028 0.000 0.750 203 A CB 0.880 19.929 19.000 0.081 0.000 1.296 203 A HN 0.805 nan 8.150 nan 0.000 0.423 204 F N 0.121 120.175 119.950 0.173 0.000 2.591 204 F HA 0.582 5.109 4.527 -0.000 0.000 0.309 204 F C -0.330 175.551 175.800 0.134 0.000 1.098 204 F CA -0.865 57.224 58.000 0.148 0.000 0.937 204 F CB 2.363 41.434 39.000 0.117 0.000 1.250 204 F HN 0.297 nan 8.300 nan 0.000 0.447 205 V N 1.484 121.568 119.914 0.283 0.000 2.444 205 V HA 0.659 4.779 4.120 -0.000 0.000 0.294 205 V C 0.395 176.580 176.094 0.153 0.000 1.022 205 V CA -0.322 62.090 62.300 0.187 0.000 0.850 205 V CB 1.096 32.995 31.823 0.126 0.000 0.992 205 V HN 1.077 nan 8.190 nan 0.000 0.426 206 G N 4.227 113.095 108.800 0.113 0.000 2.137 206 G HA2 -0.159 3.801 3.960 -0.000 0.000 0.237 206 G HA3 -0.159 3.801 3.960 -0.000 0.000 0.237 206 G C -0.225 174.726 174.900 0.086 0.000 1.002 206 G CA 0.169 45.309 45.100 0.067 0.000 0.702 206 G HN 0.810 nan 8.290 nan 0.000 0.515 207 V N 0.790 120.770 119.914 0.110 0.000 2.531 207 V HA 0.510 4.630 4.120 -0.000 0.000 0.301 207 V C -1.925 174.177 176.094 0.014 0.000 1.034 207 V CA -1.767 60.567 62.300 0.057 0.000 0.865 207 V CB 2.219 34.074 31.823 0.054 0.000 0.995 207 V HN 0.112 nan 8.190 nan 0.000 0.424 208 P HA 0.072 nan 4.420 nan 0.000 0.266 208 P C 0.581 177.863 177.300 -0.029 0.000 1.195 208 P CA 0.182 63.283 63.100 0.002 0.000 0.768 208 P CB 0.502 32.199 31.700 -0.006 0.000 0.838 209 H N 1.844 120.868 119.070 -0.076 0.000 2.387 209 H HA -0.198 4.358 4.556 -0.000 0.000 0.299 209 H C 1.718 176.981 175.328 -0.109 0.000 1.099 209 H CA 2.009 57.998 56.048 -0.098 0.000 1.315 209 H CB 0.107 29.819 29.762 -0.084 0.000 1.380 209 H HN 0.419 nan 8.280 nan 0.000 0.513 210 E N 0.225 120.404 120.200 -0.034 0.000 2.051 210 E HA -0.162 4.188 4.350 -0.000 0.000 0.192 210 E C 2.171 178.691 176.600 -0.133 0.000 0.991 210 E CA 1.368 57.726 56.400 -0.070 0.000 0.799 210 E CB -0.069 29.617 29.700 -0.024 0.000 0.748 210 E HN 0.230 nan 8.360 nan 0.000 0.449 211 K N 0.146 120.468 120.400 -0.131 0.000 2.057 211 K HA -0.023 4.297 4.320 -0.000 0.000 0.207 211 K C 1.825 178.275 176.600 -0.250 0.000 1.049 211 K CA 1.499 57.699 56.287 -0.145 0.000 0.931 211 K CB -0.655 31.781 32.500 -0.108 0.000 0.714 211 K HN 0.146 nan 8.250 nan 0.000 0.440 212 A N 0.701 123.275 122.820 -0.411 0.000 1.883 212 A HA -0.131 4.189 4.320 -0.000 0.000 0.217 212 A C 2.243 179.570 177.584 -0.429 0.000 1.186 212 A CA 1.707 53.321 52.037 -0.705 0.000 0.624 212 A CB -0.776 17.660 19.000 -0.940 0.000 0.822 212 A HN 0.330 nan 8.150 nan 0.000 0.444 213 L N -0.892 120.111 121.223 -0.366 0.000 2.083 213 L HA -0.225 4.115 4.340 -0.000 0.000 0.209 213 L C 2.623 179.415 176.870 -0.129 0.000 1.083 213 L CA 1.618 56.324 54.840 -0.223 0.000 0.752 213 L CB -0.571 41.363 42.059 -0.209 0.000 0.899 213 L HN 0.517 nan 8.230 nan 0.000 0.433 214 E N 0.204 120.324 120.200 -0.133 0.000 2.007 214 E HA -0.231 4.119 4.350 -0.000 0.000 0.194 214 E C 2.309 178.855 176.600 -0.090 0.000 0.999 214 E CA 1.262 57.603 56.400 -0.097 0.000 0.811 214 E CB -0.193 29.454 29.700 -0.089 0.000 0.762 214 E HN 0.378 nan 8.360 nan 0.000 0.450 215 L N 0.687 121.866 121.223 -0.072 0.000 2.043 215 L HA -0.227 4.113 4.340 -0.000 0.000 0.212 215 L C 2.635 179.573 176.870 0.115 0.000 1.075 215 L CA 1.291 56.146 54.840 0.025 0.000 0.752 215 L CB -0.707 41.416 42.059 0.108 0.000 0.891 215 L HN 0.231 nan 8.230 nan 0.000 0.432 216 T N -0.365 114.244 114.554 0.092 0.000 2.674 216 T HA -0.129 4.221 4.350 -0.000 0.000 0.265 216 T C 1.831 176.599 174.700 0.114 0.000 1.039 216 T CA 1.450 63.652 62.100 0.170 0.000 1.150 216 T CB -0.580 68.378 68.868 0.151 0.000 0.864 216 T HN 0.567 nan 8.240 nan 0.000 0.427 217 G N 1.208 110.028 108.800 0.034 0.000 2.432 217 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.219 217 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.219 217 G C 1.489 176.375 174.900 -0.024 0.000 1.135 217 G CA 1.041 46.151 45.100 0.018 0.000 0.767 217 G HN 0.476 nan 8.290 nan 0.000 0.550 218 K N -0.866 119.461 120.400 -0.122 0.000 2.097 218 K HA -0.075 4.245 4.320 -0.000 0.000 0.205 218 K C 1.855 178.260 176.600 -0.324 0.000 1.050 218 K CA 1.136 57.240 56.287 -0.304 0.000 0.938 218 K CB -0.169 31.993 32.500 -0.563 0.000 0.718 218 K HN 0.424 nan 8.250 nan 0.000 0.442 219 Y N -1.107 119.230 120.300 0.062 0.000 2.507 219 Y HA 0.135 4.685 4.550 -0.000 0.000 0.263 219 Y C 1.247 177.188 175.900 0.069 0.000 1.093 219 Y CA -0.067 58.073 58.100 0.067 0.000 1.285 219 Y CB 0.694 39.189 38.460 0.059 0.000 1.115 219 Y HN -0.008 nan 8.280 nan 0.000 0.533 220 L N -1.586 119.776 121.223 0.233 0.000 2.878 220 L HA 0.375 4.715 4.340 -0.000 0.000 0.253 220 L C 2.190 179.217 176.870 0.261 0.000 1.135 220 L CA 0.635 55.617 54.840 0.237 0.000 0.943 220 L CB -0.996 41.225 42.059 0.271 0.000 1.307 220 L HN 0.205 nan 8.230 nan 0.000 0.545 221 G N 1.044 109.946 108.800 0.170 0.000 2.469 221 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.219 221 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.219 221 G C 1.005 175.989 174.900 0.140 0.000 1.150 221 G CA 1.245 46.422 45.100 0.128 0.000 0.763 221 G HN 0.564 nan 8.290 nan 0.000 0.561 222 D N -1.591 118.904 120.400 0.158 0.000 2.328 222 D HA -0.025 4.615 4.640 -0.000 0.000 0.221 222 D C 0.408 176.850 176.300 0.236 0.000 1.072 222 D CA -0.738 53.357 54.000 0.158 0.000 0.850 222 D CB -0.320 40.560 40.800 0.133 0.000 0.922 222 D HN 0.252 nan 8.370 nan 0.000 0.516 223 W N 2.739 124.058 121.300 0.032 0.000 2.210 223 W HA 0.218 4.878 4.660 -0.000 0.000 0.330 223 W C -0.268 176.241 176.519 -0.017 0.000 1.334 223 W CA -0.558 56.785 57.345 -0.004 0.000 1.227 223 W CB 0.337 29.780 29.460 -0.029 0.000 1.178 223 W HN -0.078 nan 8.180 nan 0.000 0.560 224 Q N 3.807 123.671 119.800 0.107 0.000 2.345 224 Q HA 0.314 4.654 4.340 -0.000 0.000 0.268 224 Q C -0.350 175.475 176.000 -0.292 0.000 1.054 224 Q CA -0.930 54.811 55.803 -0.102 0.000 0.835 224 Q CB 2.238 30.980 28.738 0.008 0.000 1.339 224 Q HN 0.459 nan 8.270 nan 0.000 0.447 225 S N -0.064 115.395 115.700 -0.402 0.000 2.585 225 S HA 0.100 4.570 4.470 -0.000 0.000 0.273 225 S C 0.937 175.291 174.600 -0.409 0.000 1.339 225 S CA 0.025 57.909 58.200 -0.527 0.000 1.028 225 S CB 0.635 63.391 63.200 -0.740 0.000 0.906 225 S HN 0.734 nan 8.310 nan 0.000 0.528 226 T N 0.272 114.641 114.554 -0.308 0.000 3.081 226 T HA 0.199 4.549 4.350 -0.000 0.000 0.250 226 T C 0.189 174.841 174.700 -0.080 0.000 1.100 226 T CA 0.091 62.106 62.100 -0.141 0.000 1.038 226 T CB -0.529 68.283 68.868 -0.093 0.000 0.962 226 T HN 0.846 nan 8.240 nan 0.000 0.516 227 H N 2.044 121.049 119.070 -0.109 0.000 2.672 227 H HA -0.072 4.484 4.556 -0.000 0.000 0.325 227 H C -2.226 173.039 175.328 -0.105 0.000 1.158 227 H CA 0.561 56.548 56.048 -0.101 0.000 1.134 227 H CB -1.685 28.032 29.762 -0.074 0.000 1.553 227 H HN 0.520 nan 8.280 nan 0.000 0.419 228 P HA 0.243 nan 4.420 nan 0.000 0.276 228 P C -2.360 174.880 177.300 -0.100 0.000 1.261 228 P CA -1.308 61.724 63.100 -0.115 0.000 0.800 228 P CB 0.451 32.019 31.700 -0.220 0.000 1.066 229 P HA 0.196 nan 4.420 nan 0.000 0.271 229 P C -0.432 176.811 177.300 -0.096 0.000 1.220 229 P CA 0.002 63.060 63.100 -0.069 0.000 0.768 229 P CB -0.019 31.652 31.700 -0.049 0.000 0.848 230 I N 2.588 123.122 120.570 -0.061 0.000 2.517 230 I HA 0.096 4.266 4.170 -0.000 0.000 0.285 230 I C 1.118 177.225 176.117 -0.016 0.000 1.106 230 I CA 0.740 62.008 61.300 -0.053 0.000 1.402 230 I CB -0.150 37.835 38.000 -0.024 0.000 1.399 230 I HN 0.348 nan 8.210 nan 0.000 0.535 231 T N 2.162 116.717 114.554 0.002 0.000 3.448 231 T HA 0.354 4.704 4.350 -0.000 0.000 0.271 231 T C 0.187 174.990 174.700 0.173 0.000 1.002 231 T CA -0.808 61.338 62.100 0.076 0.000 0.995 231 T CB -0.528 68.388 68.868 0.080 0.000 1.153 231 T HN 0.403 nan 8.240 nan 0.000 0.510 232 K N 2.308 122.801 120.400 0.156 0.000 2.354 232 K HA 0.345 4.665 4.320 -0.000 0.000 0.257 232 K C -0.347 176.356 176.600 0.172 0.000 1.062 232 K CA -0.555 55.884 56.287 0.252 0.000 0.971 232 K CB 1.208 33.849 32.500 0.236 0.000 1.305 232 K HN 0.339 nan 8.250 nan 0.000 0.449 233 K N 1.546 122.032 120.400 0.143 0.000 2.218 233 K HA 0.143 4.463 4.320 -0.000 0.000 0.276 233 K C 0.451 177.083 176.600 0.052 0.000 1.022 233 K CA -0.767 55.568 56.287 0.079 0.000 0.946 233 K CB 0.837 33.369 32.500 0.054 0.000 1.000 233 K HN 0.260 nan 8.250 nan 0.000 0.468 234 V N -0.142 119.802 119.914 0.050 0.000 2.811 234 V HA 0.339 4.459 4.120 -0.000 0.000 0.302 234 V C 0.331 176.438 176.094 0.022 0.000 1.063 234 V CA -0.918 61.407 62.300 0.043 0.000 1.088 234 V CB 0.715 32.574 31.823 0.060 0.000 0.982 234 V HN 0.811 nan 8.190 nan 0.000 0.485 235 A N 4.042 126.865 122.820 0.004 0.000 2.409 235 A HA 0.452 4.772 4.320 -0.000 0.000 0.267 235 A C 0.241 177.923 177.584 0.163 0.000 1.127 235 A CA -0.387 51.646 52.037 -0.007 0.000 0.795 235 A CB -0.097 18.815 19.000 -0.147 0.000 1.061 235 A HN 0.947 nan 8.150 nan 0.000 0.502 236 Q N 1.864 121.799 119.800 0.224 0.000 2.425 236 Q HA 0.228 4.568 4.340 -0.000 0.000 0.254 236 Q C -1.378 174.817 176.000 0.326 0.000 1.032 236 Q CA -0.357 55.589 55.803 0.238 0.000 0.798 236 Q CB 1.658 30.477 28.738 0.135 0.000 1.210 236 Q HN 0.755 nan 8.270 nan 0.000 0.491 237 Y N 2.365 122.770 120.300 0.176 0.000 2.526 237 Y HA -0.036 4.514 4.550 -0.000 0.000 0.330 237 Y C 1.110 176.959 175.900 -0.084 0.000 1.156 237 Y CA 1.202 59.244 58.100 -0.095 0.000 1.419 237 Y CB 0.846 39.240 38.460 -0.110 0.000 1.250 237 Y HN 0.683 nan 8.280 nan 0.000 0.540 238 T N 1.664 115.804 114.554 -0.690 0.000 2.987 238 T HA 0.515 4.865 4.350 -0.000 0.000 0.248 238 T C 0.863 175.230 174.700 -0.555 0.000 0.997 238 T CA 0.331 62.183 62.100 -0.413 0.000 1.013 238 T CB -0.483 68.235 68.868 -0.251 0.000 1.077 238 T HN 1.480 nan 8.240 nan 0.000 0.483 239 G N -0.100 108.088 108.800 -1.020 0.000 2.795 239 G HA2 0.415 4.374 3.960 -0.000 0.000 0.664 239 G HA3 0.415 4.374 3.960 -0.000 0.000 0.664 239 G C -0.014 174.678 174.900 -0.346 0.000 1.381 239 G CA -0.547 44.177 45.100 -0.627 0.000 0.853 239 G HN 1.868 nan 8.290 nan 0.000 0.545 240 G N -0.955 107.707 108.800 -0.230 0.000 2.337 240 G HA2 0.605 4.565 3.960 -0.000 0.000 0.298 240 G HA3 0.605 4.565 3.960 -0.000 0.000 0.298 240 G C -1.243 173.577 174.900 -0.133 0.000 1.335 240 G CA 0.292 45.297 45.100 -0.159 0.000 0.875 240 G HN 0.951 nan 8.290 nan 0.000 0.579 241 E N -0.941 119.197 120.200 -0.104 0.000 2.343 241 E HA 0.754 5.104 4.350 -0.000 0.000 0.270 241 E C -1.090 175.457 176.600 -0.088 0.000 0.895 241 E CA -0.796 55.546 56.400 -0.097 0.000 0.767 241 E CB 2.349 32.003 29.700 -0.076 0.000 1.248 241 E HN 0.563 nan 8.360 nan 0.000 0.440 242 S N 0.617 116.259 115.700 -0.098 0.000 2.565 242 S HA 0.420 4.890 4.470 -0.000 0.000 0.274 242 S C -2.092 172.447 174.600 -0.102 0.000 1.144 242 S CA -0.576 57.575 58.200 -0.082 0.000 0.849 242 S CB 1.385 64.547 63.200 -0.065 0.000 1.103 242 S HN 0.600 nan 8.310 nan 0.000 0.455 243 C N 5.498 124.748 119.300 -0.082 0.000 2.701 243 C HA 0.785 5.245 4.460 -0.000 0.000 0.336 243 C C -1.053 173.900 174.990 -0.062 0.000 1.123 243 C CA -0.694 58.268 59.018 -0.094 0.000 1.326 243 C CB -0.336 27.347 27.740 -0.095 0.000 1.833 243 C HN 0.867 nan 8.230 nan 0.000 0.473 244 I N 3.208 123.744 120.570 -0.057 0.000 2.648 244 I HA 0.728 4.898 4.170 -0.000 0.000 0.304 244 I C -2.581 173.497 176.117 -0.065 0.000 1.009 244 I CA -2.544 58.729 61.300 -0.045 0.000 1.114 244 I CB 1.330 39.326 38.000 -0.008 0.000 1.293 244 I HN 0.318 nan 8.210 nan 0.000 0.449 245 P HA 0.179 nan 4.420 nan 0.000 0.269 245 P C -2.535 174.708 177.300 -0.094 0.000 1.217 245 P CA -0.548 62.505 63.100 -0.079 0.000 0.783 245 P CB -0.387 31.279 31.700 -0.058 0.000 0.898 246 P HA 0.094 nan 4.420 nan 0.000 0.269 246 P C -0.515 176.777 177.300 -0.012 0.000 1.209 246 P CA 0.216 63.254 63.100 -0.104 0.000 0.776 246 P CB 0.272 31.952 31.700 -0.033 0.000 0.876 247 A N 4.798 127.643 122.820 0.041 0.000 2.425 247 A HA 0.394 4.713 4.320 -0.000 0.000 0.242 247 A C -1.993 175.539 177.584 -0.086 0.000 1.077 247 A CA -0.929 51.127 52.037 0.032 0.000 0.781 247 A CB -1.359 17.718 19.000 0.127 0.000 1.020 247 A HN 0.428 nan 8.150 nan 0.000 0.494 248 P HA 0.269 nan 4.420 nan 0.000 0.271 248 P C -0.553 176.301 177.300 -0.743 0.000 1.216 248 P CA -0.189 62.688 63.100 -0.371 0.000 0.776 248 P CB 0.611 32.123 31.700 -0.313 0.000 0.881 249 V N 1.160 120.786 119.914 -0.480 0.000 2.372 249 V HA 0.240 4.360 4.120 -0.000 0.000 0.261 249 V C 0.498 176.356 176.094 -0.392 0.000 1.055 249 V CA -0.188 61.867 62.300 -0.409 0.000 0.930 249 V CB -1.065 30.667 31.823 -0.151 0.000 1.031 249 V HN 0.286 nan 8.190 nan 0.000 0.479 250 F N 4.320 124.292 119.950 0.037 0.000 2.090 250 F HA 0.549 5.076 4.527 -0.000 0.000 0.283 250 F C 2.022 177.833 175.800 0.019 0.000 1.388 250 F CA 1.357 59.373 58.000 0.027 0.000 1.117 250 F CB -1.041 37.976 39.000 0.027 0.000 1.010 250 F HN 0.623 nan 8.300 nan 0.000 0.523 251 G N -0.280 108.686 108.800 0.276 0.000 3.223 251 G HA2 0.045 4.005 3.960 -0.000 0.000 0.198 251 G HA3 0.045 4.005 3.960 -0.000 0.000 0.198 251 G C 0.599 175.561 174.900 0.103 0.000 1.980 251 G CA 0.147 45.329 45.100 0.136 0.000 0.828 251 G HN 0.446 nan 8.290 nan 0.000 0.680 252 N N 0.190 118.937 118.700 0.078 0.000 2.520 252 N HA 0.020 4.760 4.740 -0.000 0.000 0.185 252 N C 0.891 176.444 175.510 0.071 0.000 1.068 252 N CA 0.091 53.175 53.050 0.057 0.000 0.911 252 N CB -0.390 38.118 38.487 0.035 0.000 0.961 252 N HN 0.259 nan 8.380 nan 0.000 0.446 253 L N 1.187 122.479 121.223 0.114 0.000 2.499 253 L HA 0.167 4.507 4.340 -0.000 0.000 0.273 253 L C -1.846 175.098 176.870 0.124 0.000 1.195 253 L CA -1.414 53.509 54.840 0.139 0.000 0.882 253 L CB -0.030 42.176 42.059 0.246 0.000 1.133 253 L HN 0.019 nan 8.230 nan 0.000 0.483 254 P HA 0.074 nan 4.420 nan 0.000 0.271 254 P C -0.604 176.744 177.300 0.079 0.000 1.216 254 P CA -0.373 62.768 63.100 0.068 0.000 0.771 254 P CB 0.580 32.315 31.700 0.058 0.000 0.864 255 E N 3.131 123.355 120.200 0.040 0.000 2.316 255 E HA 0.295 4.645 4.350 -0.000 0.000 0.275 255 E C -1.087 175.533 176.600 0.033 0.000 1.029 255 E CA -0.309 56.118 56.400 0.045 0.000 0.871 255 E CB 0.191 29.896 29.700 0.008 0.000 1.022 255 E HN 0.358 nan 8.360 nan 0.000 0.418 256 L N 4.109 125.385 121.223 0.089 0.000 2.370 256 L HA 0.527 4.867 4.340 -0.000 0.000 0.266 256 L C -0.820 176.114 176.870 0.107 0.000 1.002 256 L CA -1.062 53.782 54.840 0.006 0.000 0.818 256 L CB 1.243 43.256 42.059 -0.077 0.000 1.325 256 L HN 0.542 nan 8.230 nan 0.000 0.418 257 F N 0.342 120.121 119.950 -0.284 0.000 2.483 257 F HA 0.600 5.127 4.527 -0.000 0.000 0.329 257 F C 0.341 175.940 175.800 -0.336 0.000 1.064 257 F CA -0.804 57.110 58.000 -0.144 0.000 0.986 257 F CB 1.421 40.428 39.000 0.011 0.000 1.218 257 F HN 0.315 nan 8.300 nan 0.000 0.484 258 H N 1.799 121.086 119.070 0.362 0.000 2.895 258 H HA 0.650 5.206 4.556 -0.000 0.000 0.373 258 H C -1.204 174.214 175.328 0.151 0.000 1.174 258 H CA -0.721 55.464 56.048 0.229 0.000 1.144 258 H CB 3.244 33.083 29.762 0.129 0.000 1.793 258 H HN 0.588 nan 8.280 nan 0.000 0.551 259 I N 1.155 121.859 120.570 0.223 0.000 2.775 259 I HA 0.184 4.354 4.170 -0.000 0.000 0.295 259 I C -1.586 174.586 176.117 0.091 0.000 1.287 259 I CA -0.370 60.954 61.300 0.040 0.000 1.029 259 I CB 2.556 40.559 38.000 0.005 0.000 1.282 259 I HN 0.501 nan 8.210 nan 0.000 0.426 260 Q N 7.503 127.330 119.800 0.045 0.000 2.323 260 Q HA 0.620 4.960 4.340 -0.000 0.000 0.271 260 Q C -1.454 174.619 176.000 0.122 0.000 1.048 260 Q CA -0.752 55.140 55.803 0.149 0.000 0.792 260 Q CB 3.220 31.990 28.738 0.053 0.000 1.280 260 Q HN 0.545 nan 8.270 nan 0.000 0.441 261 I N 1.239 121.938 120.570 0.214 0.000 2.447 261 I HA 0.673 4.843 4.170 -0.000 0.000 0.287 261 I C -0.024 176.208 176.117 0.192 0.000 1.023 261 I CA -0.676 60.685 61.300 0.102 0.000 1.083 261 I CB 2.132 40.165 38.000 0.055 0.000 1.245 261 I HN 0.680 nan 8.210 nan 0.000 0.434 262 G N 4.764 113.611 108.800 0.077 0.000 2.725 262 G HA2 0.810 4.770 3.960 -0.000 0.000 0.288 262 G HA3 0.810 4.770 3.960 -0.000 0.000 0.288 262 G C -1.711 173.097 174.900 -0.154 0.000 1.399 262 G CA -0.387 44.819 45.100 0.177 0.000 0.859 262 G HN 0.310 nan 8.290 nan 0.000 0.479 263 F N -0.849 119.224 119.950 0.205 0.000 2.640 263 F HA 0.499 5.026 4.527 -0.000 0.000 0.324 263 F C 0.368 176.057 175.800 -0.185 0.000 1.077 263 F CA -0.850 57.185 58.000 0.059 0.000 0.965 263 F CB 2.151 41.158 39.000 0.012 0.000 1.351 263 F HN 0.553 nan 8.300 nan 0.000 0.487 264 E N 0.722 120.568 120.200 -0.590 0.000 2.465 264 E HA 0.377 4.727 4.350 -0.000 0.000 0.260 264 E C 0.183 176.627 176.600 -0.260 0.000 0.980 264 E CA 0.148 56.085 56.400 -0.771 0.000 0.927 264 E CB 0.583 29.566 29.700 -1.195 0.000 0.934 264 E HN 0.752 nan 8.360 nan 0.000 0.459 265 G N 3.865 112.614 108.800 -0.084 0.000 2.695 265 G HA2 0.491 4.451 3.960 -0.000 0.000 0.213 265 G HA3 0.491 4.451 3.960 -0.000 0.000 0.213 265 G C -0.656 174.177 174.900 -0.112 0.000 1.406 265 G CA -0.713 44.352 45.100 -0.059 0.000 1.049 265 G HN 0.515 nan 8.290 nan 0.000 0.573 266 L N 0.286 121.439 121.223 -0.117 0.000 2.319 266 L HA 0.423 4.763 4.340 -0.000 0.000 0.267 266 L C -2.445 174.414 176.870 -0.019 0.000 1.011 266 L CA -1.981 52.765 54.840 -0.157 0.000 0.818 266 L CB 2.529 44.356 42.059 -0.385 0.000 1.316 266 L HN 0.216 nan 8.230 nan 0.000 0.432 267 P HA 0.038 nan 4.420 nan 0.000 0.271 267 P C 0.893 178.232 177.300 0.064 0.000 1.218 267 P CA -0.445 62.715 63.100 0.101 0.000 0.780 267 P CB 0.446 32.227 31.700 0.135 0.000 0.901 268 I N 0.713 121.317 120.570 0.056 0.000 2.700 268 I HA -0.163 4.007 4.170 -0.000 0.000 0.261 268 I C 0.332 176.441 176.117 -0.014 0.000 1.219 268 I CA 1.842 63.146 61.300 0.006 0.000 1.463 268 I CB -1.449 36.568 38.000 0.029 0.000 1.092 268 I HN 0.230 nan 8.210 nan 0.000 0.452 269 D N -0.867 119.546 120.400 0.023 0.000 2.402 269 D HA 0.007 4.647 4.640 -0.000 0.000 0.216 269 D C 1.007 177.271 176.300 -0.061 0.000 1.128 269 D CA -0.346 53.609 54.000 -0.074 0.000 0.833 269 D CB -0.835 39.838 40.800 -0.212 0.000 0.971 269 D HN 0.390 nan 8.370 nan 0.000 0.503 270 H N 1.610 120.620 119.070 -0.101 0.000 2.815 270 H HA 0.082 4.638 4.556 -0.000 0.000 0.350 270 H C -1.533 173.735 175.328 -0.101 0.000 1.080 270 H CA -0.962 55.034 56.048 -0.087 0.000 1.433 270 H CB 1.557 31.272 29.762 -0.078 0.000 1.432 270 H HN -0.204 nan 8.280 nan 0.000 0.592 271 P HA -0.118 nan 4.420 nan 0.000 0.217 271 P C 0.369 177.755 177.300 0.142 0.000 1.148 271 P CA 1.325 64.401 63.100 -0.039 0.000 0.828 271 P CB 0.354 31.957 31.700 -0.162 0.000 0.783 272 D N -1.750 118.873 120.400 0.372 0.000 2.340 272 D HA 0.046 4.686 4.640 -0.000 0.000 0.217 272 D C 1.673 177.969 176.300 -0.006 0.000 1.081 272 D CA -0.175 53.903 54.000 0.131 0.000 0.842 272 D CB -0.249 40.576 40.800 0.042 0.000 0.934 272 D HN 0.053 nan 8.370 nan 0.000 0.511 273 I N 0.617 121.161 120.570 -0.043 0.000 2.264 273 I HA -0.299 3.871 4.170 -0.000 0.000 0.248 273 I C 1.567 177.557 176.117 -0.212 0.000 1.111 273 I CA 1.447 62.630 61.300 -0.195 0.000 1.382 273 I CB -0.377 37.449 38.000 -0.291 0.000 1.060 273 I HN 0.025 nan 8.210 nan 0.000 0.418 274 Y N 0.758 121.057 120.300 -0.002 0.000 2.200 274 Y HA -0.104 4.446 4.550 -0.000 0.000 0.290 274 Y C 2.603 178.491 175.900 -0.020 0.000 1.137 274 Y CA 1.280 59.376 58.100 -0.007 0.000 1.163 274 Y CB -1.104 37.353 38.460 -0.006 0.000 0.988 274 Y HN 0.174 nan 8.280 nan 0.000 0.518 275 A N -0.138 122.749 122.820 0.110 0.000 1.908 275 A HA -0.195 4.125 4.320 -0.000 0.000 0.218 275 A C 2.197 179.757 177.584 -0.040 0.000 1.181 275 A CA 1.746 53.798 52.037 0.025 0.000 0.627 275 A CB -1.090 17.902 19.000 -0.014 0.000 0.818 275 A HN 0.407 nan 8.150 nan 0.000 0.445 276 L N -0.433 120.728 121.223 -0.103 0.000 2.131 276 L HA -0.024 4.316 4.340 -0.000 0.000 0.210 276 L C 2.631 179.494 176.870 -0.011 0.000 1.092 276 L CA 1.983 56.710 54.840 -0.188 0.000 0.759 276 L CB -0.673 41.223 42.059 -0.271 0.000 0.903 276 L HN 0.347 nan 8.230 nan 0.000 0.435 277 A N -1.886 120.954 122.820 0.033 0.000 1.929 277 A HA -0.143 4.177 4.320 -0.000 0.000 0.216 277 A C 2.232 179.877 177.584 0.101 0.000 1.176 277 A CA 1.954 54.044 52.037 0.088 0.000 0.628 277 A CB -1.000 18.045 19.000 0.075 0.000 0.816 277 A HN 0.468 nan 8.150 nan 0.000 0.444 278 T N 0.305 114.908 114.554 0.082 0.000 2.746 278 T HA -0.139 4.211 4.350 -0.000 0.000 0.267 278 T C 1.832 176.580 174.700 0.080 0.000 1.039 278 T CA 1.491 63.636 62.100 0.074 0.000 1.142 278 T CB -0.384 68.518 68.868 0.058 0.000 0.866 278 T HN 0.326 nan 8.240 nan 0.000 0.444 279 L N 1.514 122.779 121.223 0.070 0.000 2.042 279 L HA -0.103 4.237 4.340 -0.000 0.000 0.210 279 L C 2.503 179.506 176.870 0.221 0.000 1.076 279 L CA 1.818 56.722 54.840 0.107 0.000 0.749 279 L CB -0.866 41.191 42.059 -0.002 0.000 0.893 279 L HN 0.146 nan 8.230 nan 0.000 0.432 280 Q N -0.891 119.083 119.800 0.291 0.000 2.084 280 Q HA -0.176 4.164 4.340 -0.000 0.000 0.202 280 Q C 1.961 178.016 176.000 0.093 0.000 0.978 280 Q CA 2.405 58.334 55.803 0.210 0.000 0.844 280 Q CB -0.244 28.592 28.738 0.163 0.000 0.898 280 Q HN 0.606 nan 8.270 nan 0.000 0.426 281 T N 1.946 116.555 114.554 0.092 0.000 2.777 281 T HA -0.086 4.264 4.350 -0.000 0.000 0.266 281 T C 1.917 176.660 174.700 0.072 0.000 1.040 281 T CA 1.013 63.155 62.100 0.070 0.000 1.141 281 T CB -0.242 68.666 68.868 0.068 0.000 0.868 281 T HN 0.281 nan 8.240 nan 0.000 0.444 282 L N 0.364 121.634 121.223 0.079 0.000 2.083 282 L HA -0.007 4.333 4.340 -0.000 0.000 0.209 282 L C 2.122 179.027 176.870 0.059 0.000 1.083 282 L CA 1.286 56.168 54.840 0.069 0.000 0.752 282 L CB -0.211 41.891 42.059 0.071 0.000 0.899 282 L HN 0.259 nan 8.230 nan 0.000 0.433 283 L N -1.011 120.254 121.223 0.070 0.000 2.095 283 L HA 0.072 4.411 4.340 -0.000 0.000 0.204 283 L C 1.909 178.785 176.870 0.010 0.000 1.080 283 L CA 0.661 55.523 54.840 0.038 0.000 0.759 283 L CB -1.077 41.020 42.059 0.063 0.000 0.914 283 L HN 0.528 nan 8.230 nan 0.000 0.439 284 G N -0.161 108.653 108.800 0.023 0.000 2.672 284 G HA2 -0.126 3.834 3.960 -0.000 0.000 0.324 284 G HA3 -0.126 3.834 3.960 -0.000 0.000 0.324 284 G C 0.582 175.462 174.900 -0.033 0.000 1.286 284 G CA 0.350 45.466 45.100 0.027 0.000 1.004 284 G HN 1.075 nan 8.290 nan 0.000 0.548 285 G N -2.850 105.914 108.800 -0.061 0.000 2.483 285 G HA2 0.602 4.562 3.960 -0.000 0.000 0.521 285 G HA3 0.602 4.562 3.960 -0.000 0.000 0.521 285 G C 0.707 175.418 174.900 -0.315 0.000 1.278 285 G CA 0.561 45.456 45.100 -0.341 0.000 0.965 285 G HN 3.059 nan 8.290 nan 0.000 0.504 286 G N -1.985 106.573 108.800 -0.403 0.000 2.367 286 G HA2 0.736 4.696 3.960 -0.000 0.000 0.272 286 G HA3 0.736 4.696 3.960 -0.000 0.000 0.272 286 G C 0.262 175.116 174.900 -0.076 0.000 1.271 286 G CA 0.798 45.830 45.100 -0.113 0.000 0.893 286 G HN 2.258 nan 8.290 nan 0.000 0.485 287 G N -0.824 108.037 108.800 0.102 0.000 2.504 287 G HA2 0.466 4.426 3.960 -0.000 0.000 0.288 287 G HA3 0.466 4.426 3.960 -0.000 0.000 0.288 287 G C 0.966 175.987 174.900 0.201 0.000 1.182 287 G CA 0.946 46.132 45.100 0.143 0.000 0.894 287 G HN 1.114 nan 8.290 nan 0.000 0.521 288 S N -0.177 115.637 115.700 0.189 0.000 2.555 288 S HA -0.035 4.435 4.470 -0.000 0.000 0.230 288 S C 1.471 176.216 174.600 0.242 0.000 0.978 288 S CA 0.394 58.717 58.200 0.204 0.000 0.934 288 S CB -0.325 62.967 63.200 0.154 0.000 0.766 288 S HN 0.515 nan 8.310 nan 0.000 0.533 289 F N 2.812 122.825 119.950 0.106 0.000 2.164 289 F HA 0.180 4.707 4.527 -0.000 0.000 0.287 289 F C 1.094 176.931 175.800 0.062 0.000 1.086 289 F CA 1.214 59.257 58.000 0.071 0.000 1.249 289 F CB -0.663 38.372 39.000 0.060 0.000 1.059 289 F HN 0.201 nan 8.300 nan 0.000 0.490 290 S N 0.615 116.296 115.700 -0.033 0.000 3.305 290 S HA -0.107 4.363 4.470 -0.000 0.000 0.392 290 S C -0.243 174.096 174.600 -0.436 0.000 0.833 290 S CA -0.116 58.002 58.200 -0.137 0.000 1.355 290 S CB -2.382 60.768 63.200 -0.084 0.000 1.105 290 S HN 1.058 nan 8.310 nan 0.000 0.614 291 A N 3.176 125.780 122.820 -0.361 0.000 2.328 291 A HA 0.916 5.236 4.320 -0.000 0.000 0.284 291 A C 1.081 178.592 177.584 -0.122 0.000 1.160 291 A CA 0.113 51.960 52.037 -0.316 0.000 0.818 291 A CB 0.741 19.750 19.000 0.014 0.000 1.087 291 A HN 2.710 nan 8.150 nan 0.000 0.504 292 G N 0.342 109.068 108.800 -0.123 0.000 2.321 292 G HA2 0.537 4.497 3.960 -0.000 0.000 0.339 292 G HA3 0.537 4.497 3.960 -0.000 0.000 0.339 292 G C -0.106 174.744 174.900 -0.083 0.000 1.518 292 G CA -0.120 44.938 45.100 -0.069 0.000 0.994 292 G HN 1.478 nan 8.290 nan 0.000 0.668 293 G N -0.255 108.514 108.800 -0.051 0.000 2.535 293 G HA2 0.714 4.674 3.960 -0.000 0.000 0.282 293 G HA3 0.714 4.674 3.960 -0.000 0.000 0.282 293 G C -2.151 172.723 174.900 -0.044 0.000 1.350 293 G CA -0.918 44.153 45.100 -0.047 0.000 1.039 293 G HN 0.639 nan 8.290 nan 0.000 0.509 294 P HA 0.222 nan 4.420 nan 0.000 0.264 294 P C 0.816 178.118 177.300 0.002 0.000 1.179 294 P CA 1.654 64.751 63.100 -0.006 0.000 0.763 294 P CB 0.807 32.513 31.700 0.009 0.000 0.806 295 G N 2.402 111.213 108.800 0.018 0.000 2.218 295 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.216 295 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.216 295 G C 0.963 175.873 174.900 0.017 0.000 0.994 295 G CA 0.319 45.433 45.100 0.024 0.000 0.637 295 G HN 0.633 nan 8.290 nan 0.000 0.505 296 K N 0.850 121.243 120.400 -0.012 0.000 2.360 296 K HA 0.343 4.663 4.320 -0.000 0.000 0.201 296 K C 1.521 178.120 176.600 -0.002 0.000 1.046 296 K CA 1.173 57.448 56.287 -0.020 0.000 0.945 296 K CB -0.179 32.280 32.500 -0.068 0.000 0.750 296 K HN 1.758 nan 8.250 nan 0.000 0.464 297 G N 2.404 111.202 108.800 -0.003 0.000 2.392 297 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.215 297 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.215 297 G C 0.306 175.180 174.900 -0.044 0.000 1.097 297 G CA 0.203 45.329 45.100 0.044 0.000 0.840 297 G HN 0.432 nan 8.290 nan 0.000 0.492 298 M N -2.083 117.357 119.600 -0.267 0.000 2.561 298 M HA 0.401 4.881 4.480 -0.000 0.000 0.238 298 M C 1.031 177.037 176.300 -0.490 0.000 1.131 298 M CA 0.639 55.553 55.300 -0.645 0.000 1.046 298 M CB -0.116 32.021 32.600 -0.771 0.000 1.532 298 M HN 0.168 nan 8.290 nan 0.000 0.497 299 Y N 1.715 121.993 120.300 -0.038 0.000 2.658 299 Y HA 0.321 4.871 4.550 -0.000 0.000 0.276 299 Y C 0.983 176.905 175.900 0.037 0.000 1.167 299 Y CA -0.832 57.271 58.100 0.006 0.000 1.230 299 Y CB -0.009 38.445 38.460 -0.009 0.000 1.144 299 Y HN 0.288 nan 8.280 nan 0.000 0.529 300 S N -0.893 114.910 115.700 0.172 0.000 2.610 300 S HA 0.294 4.764 4.470 -0.000 0.000 0.273 300 S C 1.276 175.903 174.600 0.046 0.000 1.274 300 S CA -0.846 57.427 58.200 0.122 0.000 1.023 300 S CB 1.598 64.885 63.200 0.145 0.000 0.962 300 S HN 0.404 nan 8.310 nan 0.000 0.523 301 R N 0.558 121.014 120.500 -0.073 0.000 2.096 301 R HA -0.091 4.249 4.340 -0.000 0.000 0.240 301 R C 1.937 178.111 176.300 -0.210 0.000 1.139 301 R CA 1.806 57.722 56.100 -0.307 0.000 0.952 301 R CB -0.906 29.183 30.300 -0.352 0.000 0.854 301 R HN 0.686 nan 8.270 nan 0.000 0.436 302 L N -0.664 120.498 121.223 -0.101 0.000 2.187 302 L HA -0.222 4.118 4.340 -0.000 0.000 0.213 302 L C 2.159 178.964 176.870 -0.109 0.000 1.100 302 L CA 1.250 56.032 54.840 -0.096 0.000 0.765 302 L CB -0.446 41.534 42.059 -0.132 0.000 0.904 302 L HN 0.194 nan 8.230 nan 0.000 0.437 303 Y N 0.249 120.529 120.300 -0.034 0.000 2.176 303 Y HA -0.183 4.367 4.550 -0.000 0.000 0.291 303 Y C 2.870 178.755 175.900 -0.025 0.000 1.122 303 Y CA 1.701 59.777 58.100 -0.039 0.000 1.128 303 Y CB -0.699 37.713 38.460 -0.080 0.000 1.005 303 Y HN 0.041 nan 8.280 nan 0.000 0.509 304 T N -0.906 113.749 114.554 0.167 0.000 2.643 304 T HA -0.192 4.158 4.350 -0.000 0.000 0.264 304 T C 1.348 176.223 174.700 0.293 0.000 1.045 304 T CA 2.054 64.264 62.100 0.183 0.000 1.155 304 T CB -0.374 68.614 68.868 0.200 0.000 0.863 304 T HN 0.331 nan 8.240 nan 0.000 0.420 305 H N -0.419 118.683 119.070 0.053 0.000 2.548 305 H HA 0.325 4.881 4.556 -0.000 0.000 0.268 305 H C 1.746 177.130 175.328 0.093 0.000 0.975 305 H CA 0.037 56.117 56.048 0.055 0.000 1.195 305 H CB -0.074 29.735 29.762 0.078 0.000 1.397 305 H HN 0.238 nan 8.280 nan 0.000 0.572 306 V N -0.836 119.201 119.914 0.206 0.000 3.449 306 V HA -0.027 4.093 4.120 -0.000 0.000 0.208 306 V C 2.085 178.266 176.094 0.145 0.000 1.269 306 V CA -0.045 62.406 62.300 0.252 0.000 1.301 306 V CB -0.138 31.779 31.823 0.157 0.000 1.306 306 V HN 0.094 nan 8.190 nan 0.000 0.531 307 L N 1.553 122.800 121.223 0.041 0.000 2.043 307 L HA -0.147 4.193 4.340 -0.000 0.000 0.212 307 L C 2.201 179.073 176.870 0.004 0.000 1.075 307 L CA 2.061 56.912 54.840 0.018 0.000 0.752 307 L CB -1.620 40.435 42.059 -0.006 0.000 0.891 307 L HN 0.445 nan 8.230 nan 0.000 0.432 308 N N -0.854 117.852 118.700 0.009 0.000 2.331 308 N HA -0.123 4.617 4.740 -0.000 0.000 0.180 308 N C 1.803 177.194 175.510 -0.198 0.000 1.019 308 N CA 0.616 53.620 53.050 -0.076 0.000 0.881 308 N CB 0.041 38.505 38.487 -0.039 0.000 0.972 308 N HN 0.405 nan 8.380 nan 0.000 0.435 309 Q N -0.256 119.404 119.800 -0.234 0.000 2.134 309 Q HA 0.073 4.413 4.340 -0.000 0.000 0.195 309 Q C -0.039 175.606 176.000 -0.592 0.000 0.958 309 Q CA 0.916 56.438 55.803 -0.469 0.000 0.840 309 Q CB -0.052 28.278 28.738 -0.680 0.000 0.918 309 Q HN 0.412 nan 8.270 nan 0.000 0.467 310 Y N 0.139 120.290 120.300 -0.250 0.000 2.335 310 Y HA 0.221 4.771 4.550 -0.000 0.000 0.338 310 Y C 0.744 176.428 175.900 -0.360 0.000 0.977 310 Y CA -0.927 56.860 58.100 -0.521 0.000 1.114 310 Y CB 0.774 38.655 38.460 -0.966 0.000 1.182 310 Y HN 0.045 nan 8.280 nan 0.000 0.463 311 Y N -0.071 119.986 120.300 -0.404 0.000 2.481 311 Y HA 0.051 4.601 4.550 -0.000 0.000 0.258 311 Y C 1.270 177.103 175.900 -0.111 0.000 1.103 311 Y CA -0.701 57.295 58.100 -0.172 0.000 1.287 311 Y CB -0.102 38.326 38.460 -0.052 0.000 1.108 311 Y HN 0.597 nan 8.280 nan 0.000 0.529 312 F N 0.829 120.899 119.950 0.200 0.000 2.664 312 F HA 0.156 4.683 4.527 -0.000 0.000 0.297 312 F C 0.128 175.963 175.800 0.059 0.000 1.164 312 F CA -0.743 57.270 58.000 0.022 0.000 1.472 312 F CB -1.316 37.657 39.000 -0.045 0.000 1.108 312 F HN -0.227 nan 8.300 nan 0.000 0.596 313 V N 2.550 122.495 119.914 0.051 0.000 2.318 313 V HA 0.167 4.287 4.120 -0.000 0.000 0.271 313 V C 0.866 177.010 176.094 0.083 0.000 1.030 313 V CA -0.358 61.994 62.300 0.088 0.000 0.844 313 V CB 0.992 32.817 31.823 0.003 0.000 1.015 313 V HN 0.349 nan 8.190 nan 0.000 0.460 314 E N 4.168 124.429 120.200 0.101 0.000 2.447 314 E HA 0.060 4.410 4.350 -0.000 0.000 0.195 314 E C 0.463 177.122 176.600 0.099 0.000 1.028 314 E CA 0.361 56.824 56.400 0.105 0.000 0.876 314 E CB 0.302 30.067 29.700 0.108 0.000 0.885 314 E HN 0.730 nan 8.360 nan 0.000 0.500 315 N N -1.080 117.670 118.700 0.084 0.000 2.516 315 N HA 0.333 5.073 4.740 -0.000 0.000 0.268 315 N C -2.335 173.199 175.510 0.040 0.000 1.096 315 N CA -0.794 52.294 53.050 0.063 0.000 0.954 315 N CB 1.819 40.371 38.487 0.109 0.000 1.676 315 N HN 0.138 nan 8.380 nan 0.000 0.490 316 C N 4.030 123.312 119.300 -0.029 0.000 2.705 316 C HA 0.725 5.185 4.460 -0.000 0.000 0.369 316 C C -1.516 173.421 174.990 -0.088 0.000 1.069 316 C CA -0.217 58.780 59.018 -0.034 0.000 1.260 316 C CB 0.071 27.781 27.740 -0.050 0.000 1.764 316 C HN 0.584 nan 8.230 nan 0.000 0.469 317 V N 5.526 125.424 119.914 -0.027 0.000 3.087 317 V HA 0.920 5.040 4.120 -0.000 0.000 0.306 317 V C -0.095 175.967 176.094 -0.053 0.000 1.187 317 V CA 0.206 62.479 62.300 -0.045 0.000 0.999 317 V CB 2.252 34.072 31.823 -0.006 0.000 1.049 317 V HN 1.406 nan 8.190 nan 0.000 0.431 318 A N 4.991 127.739 122.820 -0.120 0.000 2.301 318 A HA 0.842 5.162 4.320 -0.000 0.000 0.298 318 A C -0.769 176.634 177.584 -0.301 0.000 1.185 318 A CA -0.272 51.589 52.037 -0.293 0.000 0.830 318 A CB 0.261 19.114 19.000 -0.245 0.000 1.112 318 A HN 1.370 nan 8.150 nan 0.000 0.508 319 F N 0.460 120.174 119.950 -0.393 0.000 2.522 319 F HA 0.658 5.185 4.527 -0.000 0.000 0.324 319 F C -0.335 175.073 175.800 -0.653 0.000 1.077 319 F CA -1.578 56.154 58.000 -0.448 0.000 0.944 319 F CB 1.718 40.506 39.000 -0.353 0.000 1.175 319 F HN 0.523 nan 8.300 nan 0.000 0.468 320 N N 1.683 120.210 118.700 -0.289 0.000 2.690 320 N HA 0.142 4.882 4.740 -0.000 0.000 0.255 320 N C -1.535 173.893 175.510 -0.137 0.000 1.195 320 N CA -0.538 52.409 53.050 -0.172 0.000 0.790 320 N CB 0.289 38.759 38.487 -0.028 0.000 1.216 320 N HN 0.720 nan 8.380 nan 0.000 0.528 321 H N 1.211 120.341 119.070 0.100 0.000 2.864 321 H HA 0.113 4.669 4.556 -0.000 0.000 0.281 321 H C -0.433 174.767 175.328 -0.214 0.000 1.093 321 H CA 0.122 56.126 56.048 -0.073 0.000 1.453 321 H CB 1.390 31.222 29.762 0.116 0.000 1.462 321 H HN 0.253 nan 8.280 nan 0.000 0.480 322 S N 4.271 119.785 115.700 -0.310 0.000 2.478 322 S HA 0.503 4.973 4.470 -0.000 0.000 0.312 322 S C -1.036 173.298 174.600 -0.444 0.000 1.094 322 S CA -0.506 57.551 58.200 -0.238 0.000 1.081 322 S CB 0.361 63.498 63.200 -0.104 0.000 1.007 322 S HN 0.404 nan 8.310 nan 0.000 0.475 323 Y N 1.154 121.516 120.300 0.104 0.000 2.805 323 Y HA 0.369 4.919 4.550 -0.000 0.000 0.321 323 Y C 2.009 177.947 175.900 0.063 0.000 1.203 323 Y CA -0.367 57.773 58.100 0.067 0.000 1.165 323 Y CB 0.340 38.822 38.460 0.037 0.000 1.371 323 Y HN 0.657 nan 8.280 nan 0.000 0.564 324 S N -0.103 115.748 115.700 0.252 0.000 2.370 324 S HA -0.188 4.282 4.470 -0.000 0.000 0.226 324 S C 0.689 175.382 174.600 0.155 0.000 1.033 324 S CA 2.009 60.311 58.200 0.171 0.000 1.011 324 S CB -0.428 62.855 63.200 0.138 0.000 0.852 324 S HN 0.807 nan 8.310 nan 0.000 0.457 325 D N -0.612 119.876 120.400 0.147 0.000 2.540 325 D HA 0.460 5.100 4.640 -0.000 0.000 0.229 325 D C 0.245 176.636 176.300 0.152 0.000 1.250 325 D CA -0.017 54.060 54.000 0.128 0.000 0.817 325 D CB 0.344 41.201 40.800 0.094 0.000 1.060 325 D HN 0.352 nan 8.370 nan 0.000 0.508 326 S N -1.933 113.888 115.700 0.202 0.000 2.660 326 S HA 0.669 5.139 4.470 -0.000 0.000 0.264 326 S C -1.380 173.417 174.600 0.328 0.000 1.131 326 S CA -0.197 58.151 58.200 0.247 0.000 0.846 326 S CB 1.014 64.415 63.200 0.336 0.000 1.151 326 S HN 0.589 nan 8.310 nan 0.000 0.486 327 G N 0.189 109.193 108.800 0.340 0.000 2.559 327 G HA2 0.627 4.587 3.960 -0.000 0.000 0.291 327 G HA3 0.627 4.587 3.960 -0.000 0.000 0.291 327 G C -2.174 172.925 174.900 0.332 0.000 1.424 327 G CA -0.537 44.780 45.100 0.362 0.000 0.786 327 G HN 0.804 nan 8.290 nan 0.000 0.485 328 I N 0.266 121.056 120.570 0.367 0.000 2.478 328 I HA 0.457 4.627 4.170 -0.000 0.000 0.287 328 I C -1.493 174.898 176.117 0.457 0.000 1.042 328 I CA -0.537 60.979 61.300 0.360 0.000 1.067 328 I CB 2.197 40.390 38.000 0.322 0.000 1.233 328 I HN 0.388 nan 8.210 nan 0.000 0.431 329 F N 5.079 125.141 119.950 0.187 0.000 2.482 329 F HA 0.886 5.413 4.527 -0.000 0.000 0.331 329 F C 0.256 175.989 175.800 -0.111 0.000 1.115 329 F CA 0.002 58.007 58.000 0.007 0.000 0.955 329 F CB 1.822 40.728 39.000 -0.156 0.000 1.136 329 F HN 0.543 nan 8.300 nan 0.000 0.452 330 G N 4.898 113.020 108.800 -1.131 0.000 2.435 330 G HA2 0.443 4.403 3.960 -0.000 0.000 0.296 330 G HA3 0.443 4.403 3.960 -0.000 0.000 0.296 330 G C -2.036 172.026 174.900 -1.397 0.000 1.240 330 G CA -0.775 43.783 45.100 -0.903 0.000 0.872 330 G HN 0.637 nan 8.290 nan 0.000 0.480 331 I N 0.522 120.694 120.570 -0.665 0.000 2.647 331 I HA 0.570 4.740 4.170 -0.000 0.000 0.295 331 I C -0.307 175.886 176.117 0.126 0.000 1.078 331 I CA -0.840 60.284 61.300 -0.294 0.000 1.048 331 I CB 2.358 40.301 38.000 -0.094 0.000 1.239 331 I HN 0.452 nan 8.210 nan 0.000 0.421 332 S N 6.200 122.033 115.700 0.222 0.000 2.472 332 S HA 0.727 5.197 4.470 -0.000 0.000 0.303 332 S C -1.219 173.476 174.600 0.158 0.000 1.099 332 S CA -0.535 57.832 58.200 0.278 0.000 1.077 332 S CB 1.162 64.550 63.200 0.313 0.000 1.031 332 S HN 0.462 nan 8.310 nan 0.000 0.487 333 L N 3.762 125.085 121.223 0.167 0.000 2.464 333 L HA 0.647 4.987 4.340 -0.000 0.000 0.266 333 L C -1.206 175.778 176.870 0.190 0.000 0.965 333 L CA -0.147 54.782 54.840 0.148 0.000 0.833 333 L CB 1.858 43.993 42.059 0.128 0.000 1.296 333 L HN 0.717 nan 8.230 nan 0.000 0.405 334 S N 3.722 119.521 115.700 0.165 0.000 2.502 334 S HA 0.846 5.316 4.470 -0.000 0.000 0.304 334 S C -0.509 174.147 174.600 0.093 0.000 1.097 334 S CA -0.507 57.770 58.200 0.127 0.000 1.045 334 S CB 1.418 64.730 63.200 0.187 0.000 1.019 334 S HN 0.864 nan 8.310 nan 0.000 0.481 335 C N 1.879 121.215 119.300 0.059 0.000 3.318 335 C HA 0.670 5.130 4.460 -0.000 0.000 0.322 335 C C -0.834 174.144 174.990 -0.019 0.000 1.398 335 C CA -1.216 57.853 59.018 0.085 0.000 1.339 335 C CB -0.199 27.639 27.740 0.163 0.000 1.668 335 C HN 0.661 nan 8.230 nan 0.000 0.462 336 I N 2.026 122.581 120.570 -0.025 0.000 2.692 336 I HA 0.203 4.373 4.170 -0.000 0.000 0.284 336 I C -1.149 174.744 176.117 -0.372 0.000 1.159 336 I CA -2.005 59.205 61.300 -0.151 0.000 1.423 336 I CB 0.032 37.981 38.000 -0.086 0.000 1.380 336 I HN 0.539 nan 8.210 nan 0.000 0.580 337 P HA -0.210 nan 4.420 nan 0.000 0.217 337 P C 1.269 178.166 177.300 -0.671 0.000 1.148 337 P CA 1.421 63.841 63.100 -1.134 0.000 0.834 337 P CB 0.236 31.277 31.700 -1.099 0.000 0.783 338 Q N -0.707 118.831 119.800 -0.437 0.000 2.124 338 Q HA -0.076 4.264 4.340 -0.000 0.000 0.202 338 Q C 2.158 177.923 176.000 -0.392 0.000 0.977 338 Q CA 1.952 57.548 55.803 -0.345 0.000 0.850 338 Q CB -1.391 27.189 28.738 -0.262 0.000 0.901 338 Q HN 0.229 nan 8.270 nan 0.000 0.429 339 A N -0.124 122.432 122.820 -0.440 0.000 2.208 339 A HA 0.299 4.619 4.320 -0.000 0.000 0.209 339 A C 2.087 179.429 177.584 -0.403 0.000 1.161 339 A CA 0.825 52.513 52.037 -0.582 0.000 0.782 339 A CB -0.533 17.989 19.000 -0.797 0.000 0.816 339 A HN 0.304 nan 8.150 nan 0.000 0.477 340 A N 1.503 124.090 122.820 -0.389 0.000 1.896 340 A HA -0.180 4.140 4.320 -0.000 0.000 0.220 340 A C 0.154 177.537 177.584 -0.336 0.000 1.206 340 A CA 2.263 54.041 52.037 -0.432 0.000 0.647 340 A CB -1.860 16.747 19.000 -0.655 0.000 0.828 340 A HN 0.442 nan 8.150 nan 0.000 0.455 341 P HA -0.170 nan 4.420 nan 0.000 0.220 341 P C 1.253 178.484 177.300 -0.114 0.000 1.144 341 P CA 1.566 64.563 63.100 -0.171 0.000 0.800 341 P CB -0.067 31.534 31.700 -0.165 0.000 0.772 342 Q N -1.830 117.872 119.800 -0.164 0.000 2.391 342 Q HA 0.150 4.490 4.340 -0.000 0.000 0.211 342 Q C 2.125 178.088 176.000 -0.061 0.000 0.908 342 Q CA 0.452 56.178 55.803 -0.128 0.000 0.920 342 Q CB -0.321 28.279 28.738 -0.231 0.000 1.056 342 Q HN 0.124 nan 8.270 nan 0.000 0.523 343 A N 0.945 123.761 122.820 -0.007 0.000 1.870 343 A HA -0.254 4.066 4.320 -0.000 0.000 0.219 343 A C 2.263 179.882 177.584 0.059 0.000 1.224 343 A CA 2.144 54.227 52.037 0.077 0.000 0.650 343 A CB -1.180 17.960 19.000 0.234 0.000 0.836 343 A HN 0.207 nan 8.150 nan 0.000 0.454 344 V N -0.083 119.891 119.914 0.100 0.000 2.250 344 V HA -0.358 3.762 4.120 -0.000 0.000 0.250 344 V C 2.585 178.651 176.094 -0.045 0.000 1.060 344 V CA 2.746 65.075 62.300 0.049 0.000 1.030 344 V CB -0.939 30.929 31.823 0.076 0.000 0.643 344 V HN 0.805 nan 8.190 nan 0.000 0.445 345 E N -0.123 120.043 120.200 -0.058 0.000 2.077 345 E HA -0.182 4.168 4.350 -0.000 0.000 0.193 345 E C 2.136 178.617 176.600 -0.199 0.000 0.989 345 E CA 1.551 57.859 56.400 -0.154 0.000 0.800 345 E CB -0.087 29.593 29.700 -0.034 0.000 0.746 345 E HN 0.404 nan 8.360 nan 0.000 0.452 346 V N 1.283 121.124 119.914 -0.122 0.000 2.282 346 V HA -0.320 3.800 4.120 -0.000 0.000 0.249 346 V C 2.359 178.392 176.094 -0.102 0.000 1.057 346 V CA 1.988 64.213 62.300 -0.124 0.000 1.032 346 V CB -0.484 31.235 31.823 -0.174 0.000 0.645 346 V HN 0.369 nan 8.190 nan 0.000 0.447 347 I N 0.245 120.762 120.570 -0.089 0.000 2.163 347 I HA -0.213 3.957 4.170 -0.000 0.000 0.240 347 I C 2.730 178.762 176.117 -0.142 0.000 1.081 347 I CA 1.448 62.705 61.300 -0.071 0.000 1.353 347 I CB -0.711 37.279 38.000 -0.017 0.000 1.054 347 I HN 0.293 nan 8.210 nan 0.000 0.407 348 A N 0.227 122.907 122.820 -0.232 0.000 1.917 348 A HA -0.301 4.019 4.320 -0.000 0.000 0.219 348 A C 2.259 179.557 177.584 -0.476 0.000 1.182 348 A CA 1.864 53.673 52.037 -0.380 0.000 0.633 348 A CB -0.727 17.894 19.000 -0.632 0.000 0.819 348 A HN 0.487 nan 8.150 nan 0.000 0.448 349 Q N -1.122 118.378 119.800 -0.501 0.000 2.050 349 Q HA -0.217 4.123 4.340 -0.000 0.000 0.202 349 Q C 2.388 178.395 176.000 0.011 0.000 0.980 349 Q CA 1.596 57.279 55.803 -0.200 0.000 0.840 349 Q CB -0.181 28.521 28.738 -0.060 0.000 0.898 349 Q HN 0.645 nan 8.270 nan 0.000 0.424 350 Q N -0.025 119.763 119.800 -0.020 0.000 2.135 350 Q HA -0.150 4.190 4.340 -0.000 0.000 0.204 350 Q C 1.968 177.928 176.000 -0.066 0.000 0.981 350 Q CA 1.476 57.290 55.803 0.018 0.000 0.856 350 Q CB -0.320 28.420 28.738 0.004 0.000 0.902 350 Q HN 0.505 nan 8.270 nan 0.000 0.425 351 M N -0.969 118.494 119.600 -0.229 0.000 2.132 351 M HA -0.166 4.314 4.480 -0.000 0.000 0.263 351 M C 2.109 178.265 176.300 -0.240 0.000 1.065 351 M CA 1.409 56.327 55.300 -0.636 0.000 1.122 351 M CB -0.483 31.530 32.600 -0.978 0.000 1.365 351 M HN 0.128 nan 8.290 nan 0.000 0.411 352 Y N 1.859 122.049 120.300 -0.184 0.000 2.128 352 Y HA -0.247 4.303 4.550 -0.000 0.000 0.284 352 Y C 1.943 177.710 175.900 -0.221 0.000 1.154 352 Y CA 1.751 59.746 58.100 -0.174 0.000 1.149 352 Y CB -0.344 38.132 38.460 0.026 0.000 0.976 352 Y HN 0.250 nan 8.280 nan 0.000 0.505 353 N N -0.281 118.462 118.700 0.072 0.000 2.585 353 N HA -0.120 4.619 4.740 -0.000 0.000 0.188 353 N C 1.578 177.098 175.510 0.016 0.000 1.102 353 N CA 1.482 54.559 53.050 0.044 0.000 0.920 353 N CB -0.642 37.948 38.487 0.171 0.000 0.963 353 N HN 0.643 nan 8.380 nan 0.000 0.447 354 T N -2.951 111.648 114.554 0.075 0.000 3.067 354 T HA 0.034 4.384 4.350 -0.000 0.000 0.261 354 T C 1.256 176.116 174.700 0.265 0.000 1.110 354 T CA 0.475 62.696 62.100 0.202 0.000 1.113 354 T CB -0.185 68.883 68.868 0.333 0.000 0.917 354 T HN 0.331 nan 8.240 nan 0.000 0.499 355 F N -0.618 119.280 119.950 -0.085 0.000 2.592 355 F HA 0.722 5.249 4.527 -0.000 0.000 0.357 355 F C 1.648 177.325 175.800 -0.204 0.000 0.808 355 F CA -0.354 57.583 58.000 -0.104 0.000 1.020 355 F CB -0.167 38.797 39.000 -0.060 0.000 0.951 355 F HN 0.078 nan 8.300 nan 0.000 0.642 356 A N 0.530 122.426 122.820 -1.539 0.000 2.278 356 A HA 0.232 4.552 4.320 -0.000 0.000 0.212 356 A C 0.507 177.518 177.584 -0.955 0.000 1.213 356 A CA 0.301 51.545 52.037 -1.322 0.000 0.840 356 A CB -0.801 17.076 19.000 -1.871 0.000 0.866 356 A HN 0.345 nan 8.150 nan 0.000 0.489 357 N N 1.068 119.394 118.700 -0.624 0.000 2.621 357 N HA 0.087 4.827 4.740 -0.000 0.000 0.237 357 N C 0.854 176.301 175.510 -0.105 0.000 0.997 357 N CA -0.194 52.727 53.050 -0.216 0.000 0.918 357 N CB 0.852 39.317 38.487 -0.038 0.000 1.122 357 N HN 0.463 nan 8.380 nan 0.000 0.510 358 K N 1.428 121.786 120.400 -0.071 0.000 2.362 358 K HA -0.106 4.214 4.320 -0.000 0.000 0.202 358 K C -0.220 176.374 176.600 -0.010 0.000 1.045 358 K CA 1.201 57.467 56.287 -0.036 0.000 0.936 358 K CB 0.331 32.818 32.500 -0.022 0.000 0.747 358 K HN 0.316 nan 8.250 nan 0.000 0.467 359 D N 0.326 120.727 120.400 0.002 0.000 2.379 359 D HA 0.114 4.754 4.640 -0.000 0.000 0.208 359 D C 0.789 177.102 176.300 0.023 0.000 1.065 359 D CA 0.290 54.298 54.000 0.013 0.000 0.848 359 D CB 0.519 41.329 40.800 0.017 0.000 0.949 359 D HN 0.188 nan 8.370 nan 0.000 0.509 360 L N 0.949 122.188 121.223 0.026 0.000 3.288 360 L HA 0.232 4.572 4.340 -0.000 0.000 0.293 360 L C 0.313 177.213 176.870 0.049 0.000 1.294 360 L CA -0.439 54.434 54.840 0.054 0.000 1.006 360 L CB 0.723 42.831 42.059 0.081 0.000 1.407 360 L HN -0.290 nan 8.230 nan 0.000 0.592 361 R N 0.675 121.191 120.500 0.027 0.000 2.811 361 R HA 0.143 4.483 4.340 -0.000 0.000 0.265 361 R C -0.269 176.059 176.300 0.047 0.000 1.026 361 R CA 0.303 56.418 56.100 0.026 0.000 1.142 361 R CB 0.271 30.581 30.300 0.017 0.000 1.027 361 R HN 0.154 nan 8.270 nan 0.000 0.465 362 L N 2.567 123.820 121.223 0.050 0.000 2.418 362 L HA 0.167 4.507 4.340 -0.000 0.000 0.274 362 L C 0.801 177.695 176.870 0.040 0.000 1.135 362 L CA -0.209 54.663 54.840 0.053 0.000 0.870 362 L CB 0.553 42.645 42.059 0.054 0.000 1.154 362 L HN 0.763 nan 8.230 nan 0.000 0.462 363 T N -1.246 113.332 114.554 0.041 0.000 2.899 363 T HA 0.140 4.490 4.350 -0.000 0.000 0.284 363 T C 1.062 175.775 174.700 0.021 0.000 1.004 363 T CA -0.819 61.299 62.100 0.030 0.000 1.043 363 T CB 1.499 70.386 68.868 0.031 0.000 1.013 363 T HN 0.552 nan 8.240 nan 0.000 0.518 364 E N 1.201 121.409 120.200 0.014 0.000 2.097 364 E HA -0.181 4.169 4.350 -0.000 0.000 0.196 364 E C 1.666 178.269 176.600 0.005 0.000 1.000 364 E CA 1.681 58.085 56.400 0.007 0.000 0.804 364 E CB -0.175 29.527 29.700 0.002 0.000 0.740 364 E HN 0.717 nan 8.360 nan 0.000 0.454 365 D N 0.520 120.921 120.400 0.003 0.000 2.117 365 D HA -0.125 4.515 4.640 -0.000 0.000 0.198 365 D C 1.899 178.201 176.300 0.003 0.000 0.982 365 D CA 0.803 54.800 54.000 -0.005 0.000 0.828 365 D CB -0.071 40.721 40.800 -0.013 0.000 0.967 365 D HN 0.332 nan 8.370 nan 0.000 0.464 366 E N 0.462 120.673 120.200 0.018 0.000 2.023 366 E HA -0.131 4.219 4.350 -0.000 0.000 0.196 366 E C 2.396 179.012 176.600 0.028 0.000 1.003 366 E CA 0.744 57.162 56.400 0.030 0.000 0.809 366 E CB -0.013 29.711 29.700 0.040 0.000 0.755 366 E HN 0.023 nan 8.360 nan 0.000 0.449 367 V N 0.986 120.915 119.914 0.025 0.000 2.287 367 V HA -0.295 3.825 4.120 -0.000 0.000 0.248 367 V C 2.474 178.578 176.094 0.016 0.000 1.053 367 V CA 2.036 64.349 62.300 0.023 0.000 1.027 367 V CB -0.581 31.253 31.823 0.019 0.000 0.646 367 V HN 0.280 nan 8.190 nan 0.000 0.447 368 S N -0.655 115.050 115.700 0.008 0.000 2.370 368 S HA -0.275 4.195 4.470 -0.000 0.000 0.226 368 S C 2.219 176.821 174.600 0.003 0.000 1.033 368 S CA 2.143 60.343 58.200 0.002 0.000 1.011 368 S CB -0.315 62.881 63.200 -0.006 0.000 0.852 368 S HN 0.581 nan 8.310 nan 0.000 0.457 369 R N 0.412 120.915 120.500 0.005 0.000 2.066 369 R HA 0.008 4.348 4.340 -0.000 0.000 0.232 369 R C 2.442 178.757 176.300 0.025 0.000 1.131 369 R CA 1.375 57.480 56.100 0.010 0.000 0.955 369 R CB -0.767 29.538 30.300 0.009 0.000 0.851 369 R HN 0.428 nan 8.270 nan 0.000 0.432 370 A N 1.431 124.271 122.820 0.033 0.000 1.865 370 A HA -0.222 4.098 4.320 -0.000 0.000 0.217 370 A C 2.039 179.645 177.584 0.038 0.000 1.191 370 A CA 1.901 53.964 52.037 0.043 0.000 0.623 370 A CB -0.505 18.524 19.000 0.049 0.000 0.826 370 A HN 0.392 nan 8.150 nan 0.000 0.444 371 K N -0.407 120.011 120.400 0.028 0.000 2.034 371 K HA -0.199 4.121 4.320 -0.000 0.000 0.214 371 K C 1.887 178.497 176.600 0.016 0.000 1.051 371 K CA 1.705 58.005 56.287 0.021 0.000 0.931 371 K CB -0.306 32.199 32.500 0.008 0.000 0.715 371 K HN 0.440 nan 8.250 nan 0.000 0.446 372 N N 0.997 119.703 118.700 0.011 0.000 2.166 372 N HA -0.163 4.577 4.740 -0.000 0.000 0.186 372 N C 1.745 177.265 175.510 0.017 0.000 1.019 372 N CA 1.235 54.290 53.050 0.008 0.000 0.856 372 N CB -0.108 38.381 38.487 0.003 0.000 0.993 372 N HN 0.340 nan 8.380 nan 0.000 0.426 373 Q N -0.032 119.784 119.800 0.026 0.000 2.224 373 Q HA -0.054 4.286 4.340 -0.000 0.000 0.203 373 Q C 1.936 177.958 176.000 0.037 0.000 0.970 373 Q CA 0.528 56.351 55.803 0.033 0.000 0.865 373 Q CB -0.015 28.748 28.738 0.043 0.000 0.922 373 Q HN 0.226 nan 8.270 nan 0.000 0.445 374 L N 1.132 122.379 121.223 0.041 0.000 2.023 374 L HA -0.147 4.193 4.340 -0.000 0.000 0.205 374 L C 1.883 178.778 176.870 0.043 0.000 1.073 374 L CA 1.819 56.690 54.840 0.051 0.000 0.745 374 L CB -0.286 41.813 42.059 0.067 0.000 0.900 374 L HN -0.068 nan 8.230 nan 0.000 0.435 375 K N -0.674 119.742 120.400 0.027 0.000 2.059 375 K HA -0.229 4.091 4.320 -0.000 0.000 0.212 375 K C 2.334 178.944 176.600 0.017 0.000 1.050 375 K CA 1.792 58.086 56.287 0.012 0.000 0.927 375 K CB -0.567 31.930 32.500 -0.006 0.000 0.714 375 K HN 0.457 nan 8.250 nan 0.000 0.447 376 S N 0.966 116.677 115.700 0.018 0.000 2.351 376 S HA -0.181 4.289 4.470 -0.000 0.000 0.220 376 S C 2.184 176.799 174.600 0.025 0.000 1.035 376 S CA 2.191 60.403 58.200 0.019 0.000 1.031 376 S CB -0.360 62.852 63.200 0.020 0.000 0.928 376 S HN 0.476 nan 8.310 nan 0.000 0.433 377 S N 1.557 117.275 115.700 0.031 0.000 2.382 377 S HA -0.027 4.443 4.470 -0.000 0.000 0.228 377 S C 1.967 176.587 174.600 0.034 0.000 1.027 377 S CA 1.321 59.540 58.200 0.033 0.000 0.991 377 S CB -0.893 62.329 63.200 0.036 0.000 0.823 377 S HN 0.535 nan 8.310 nan 0.000 0.469 378 L N 0.728 121.974 121.223 0.038 0.000 1.976 378 L HA -0.023 4.317 4.340 -0.000 0.000 0.209 378 L C 2.748 179.637 176.870 0.031 0.000 1.071 378 L CA 1.381 56.245 54.840 0.041 0.000 0.746 378 L CB -0.679 41.413 42.059 0.055 0.000 0.890 378 L HN 0.302 nan 8.230 nan 0.000 0.432 379 L N -1.038 120.200 121.223 0.025 0.000 2.083 379 L HA -0.237 4.103 4.340 -0.000 0.000 0.209 379 L C 2.624 179.507 176.870 0.021 0.000 1.083 379 L CA 1.321 56.172 54.840 0.019 0.000 0.752 379 L CB -0.341 41.725 42.059 0.012 0.000 0.899 379 L HN 0.347 nan 8.230 nan 0.000 0.433 380 M N -0.995 118.619 119.600 0.023 0.000 2.200 380 M HA -0.180 4.300 4.480 -0.000 0.000 0.265 380 M C 2.052 178.369 176.300 0.029 0.000 1.066 380 M CA 1.474 56.788 55.300 0.025 0.000 1.127 380 M CB -0.486 32.129 32.600 0.024 0.000 1.379 380 M HN 0.322 nan 8.290 nan 0.000 0.420 381 N N 0.676 119.394 118.700 0.030 0.000 2.120 381 N HA -0.143 4.597 4.740 -0.000 0.000 0.188 381 N C 1.345 176.875 175.510 0.033 0.000 1.024 381 N CA 0.860 53.929 53.050 0.032 0.000 0.852 381 N CB 0.174 38.680 38.487 0.031 0.000 1.003 381 N HN 0.144 nan 8.380 nan 0.000 0.424 382 L N 1.932 123.173 121.223 0.030 0.000 2.642 382 L HA -0.026 4.313 4.340 -0.000 0.000 0.236 382 L C 1.689 178.577 176.870 0.029 0.000 1.169 382 L CA 1.163 56.020 54.840 0.028 0.000 0.851 382 L CB -0.709 41.363 42.059 0.022 0.000 0.968 382 L HN 0.182 nan 8.230 nan 0.000 0.453 383 E N -1.555 118.664 120.200 0.032 0.000 2.208 383 E HA -0.063 4.287 4.350 -0.000 0.000 0.193 383 E C 0.990 177.615 176.600 0.041 0.000 0.988 383 E CA 0.268 56.687 56.400 0.032 0.000 0.828 383 E CB 0.148 29.868 29.700 0.034 0.000 0.763 383 E HN 0.330 nan 8.360 nan 0.000 0.478 384 S N 0.425 116.155 115.700 0.051 0.000 2.523 384 S HA 0.073 4.543 4.470 -0.000 0.000 0.275 384 S C 0.828 175.472 174.600 0.073 0.000 1.281 384 S CA -0.454 57.790 58.200 0.073 0.000 1.050 384 S CB 1.077 64.322 63.200 0.074 0.000 0.937 384 S HN 0.027 nan 8.310 nan 0.000 0.492 385 K N 2.982 123.436 120.400 0.090 0.000 2.057 385 K HA -0.071 4.249 4.320 -0.000 0.000 0.207 385 K C 1.655 178.321 176.600 0.110 0.000 1.049 385 K CA 1.020 57.356 56.287 0.082 0.000 0.931 385 K CB -0.256 32.292 32.500 0.081 0.000 0.714 385 K HN 0.488 nan 8.250 nan 0.000 0.440 386 L N 0.790 122.093 121.223 0.133 0.000 2.042 386 L HA -0.177 4.163 4.340 -0.000 0.000 0.210 386 L C 2.234 179.161 176.870 0.096 0.000 1.076 386 L CA 1.480 56.392 54.840 0.119 0.000 0.749 386 L CB -0.815 41.305 42.059 0.102 0.000 0.893 386 L HN -0.020 nan 8.230 nan 0.000 0.432 387 V N -0.661 119.299 119.914 0.077 0.000 2.358 387 V HA -0.259 3.861 4.120 -0.000 0.000 0.246 387 V C 2.524 178.646 176.094 0.046 0.000 1.047 387 V CA 1.602 63.937 62.300 0.058 0.000 1.035 387 V CB -0.472 31.379 31.823 0.048 0.000 0.658 387 V HN 0.524 nan 8.190 nan 0.000 0.452 388 E N 0.045 120.273 120.200 0.048 0.000 2.077 388 E HA -0.273 4.077 4.350 -0.000 0.000 0.193 388 E C 2.176 178.796 176.600 0.033 0.000 0.989 388 E CA 1.603 58.024 56.400 0.035 0.000 0.800 388 E CB -0.128 29.597 29.700 0.041 0.000 0.746 388 E HN 0.464 nan 8.360 nan 0.000 0.452 389 L N 1.577 122.836 121.223 0.061 0.000 1.976 389 L HA -0.199 4.141 4.340 -0.000 0.000 0.209 389 L C 2.411 179.281 176.870 0.000 0.000 1.071 389 L CA 2.442 57.324 54.840 0.069 0.000 0.746 389 L CB -0.629 41.511 42.059 0.134 0.000 0.890 389 L HN 0.215 nan 8.230 nan 0.000 0.432 390 E N -0.831 119.402 120.200 0.055 0.000 2.085 390 E HA -0.327 4.022 4.350 -0.000 0.000 0.194 390 E C 1.888 178.424 176.600 -0.107 0.000 0.994 390 E CA 1.685 58.099 56.400 0.024 0.000 0.801 390 E CB -0.223 29.547 29.700 0.118 0.000 0.743 390 E HN 0.718 nan 8.360 nan 0.000 0.453 391 D N -0.154 120.214 120.400 -0.053 0.000 2.144 391 D HA -0.214 4.426 4.640 -0.000 0.000 0.199 391 D C 2.171 178.402 176.300 -0.116 0.000 0.984 391 D CA 1.580 55.541 54.000 -0.064 0.000 0.834 391 D CB -0.117 40.667 40.800 -0.027 0.000 0.955 391 D HN 0.280 nan 8.370 nan 0.000 0.465 392 M N -0.542 118.985 119.600 -0.121 0.000 2.132 392 M HA 0.001 4.481 4.480 -0.000 0.000 0.263 392 M C 2.131 178.311 176.300 -0.199 0.000 1.065 392 M CA 2.058 57.282 55.300 -0.127 0.000 1.122 392 M CB -0.333 32.248 32.600 -0.031 0.000 1.365 392 M HN 0.109 nan 8.290 nan 0.000 0.411 393 G N 0.639 109.187 108.800 -0.422 0.000 2.446 393 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.217 393 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.217 393 G C 1.543 176.150 174.900 -0.488 0.000 1.168 393 G CA 0.866 45.506 45.100 -0.767 0.000 0.771 393 G HN 0.504 nan 8.290 nan 0.000 0.551 394 R N -0.098 120.173 120.500 -0.381 0.000 2.092 394 R HA 0.012 4.352 4.340 -0.000 0.000 0.231 394 R C 2.755 178.949 176.300 -0.176 0.000 1.119 394 R CA 1.143 57.135 56.100 -0.181 0.000 0.970 394 R CB -0.319 29.925 30.300 -0.093 0.000 0.864 394 R HN 0.422 nan 8.270 nan 0.000 0.440 395 Q N 0.250 119.946 119.800 -0.173 0.000 2.084 395 Q HA -0.112 4.228 4.340 -0.000 0.000 0.202 395 Q C 2.210 178.090 176.000 -0.200 0.000 0.978 395 Q CA 1.421 57.110 55.803 -0.190 0.000 0.844 395 Q CB 0.070 28.753 28.738 -0.092 0.000 0.898 395 Q HN 0.175 nan 8.270 nan 0.000 0.426 396 V N 0.768 120.621 119.914 -0.102 0.000 2.358 396 V HA -0.226 3.894 4.120 -0.000 0.000 0.246 396 V C 2.138 178.209 176.094 -0.038 0.000 1.047 396 V CA 1.125 63.421 62.300 -0.008 0.000 1.035 396 V CB -0.411 31.462 31.823 0.083 0.000 0.658 396 V HN 0.296 nan 8.190 nan 0.000 0.452 397 L N -0.722 120.460 121.223 -0.069 0.000 2.042 397 L HA -0.191 4.149 4.340 -0.000 0.000 0.210 397 L C 2.262 179.085 176.870 -0.078 0.000 1.076 397 L CA 2.178 56.995 54.840 -0.038 0.000 0.749 397 L CB -0.464 41.589 42.059 -0.011 0.000 0.893 397 L HN 0.285 nan 8.230 nan 0.000 0.432 398 M N -1.676 117.802 119.600 -0.203 0.000 2.160 398 M HA -0.094 4.386 4.480 -0.000 0.000 0.264 398 M C 0.818 176.952 176.300 -0.278 0.000 1.073 398 M CA 1.464 56.588 55.300 -0.292 0.000 1.142 398 M CB -0.021 32.282 32.600 -0.495 0.000 1.358 398 M HN 0.423 nan 8.290 nan 0.000 0.422 399 H N -2.282 116.807 119.070 0.031 0.000 2.750 399 H HA 0.359 4.915 4.556 -0.000 0.000 0.252 399 H C 0.696 176.049 175.328 0.041 0.000 1.176 399 H CA 0.262 56.329 56.048 0.031 0.000 0.987 399 H CB -0.490 29.285 29.762 0.021 0.000 1.810 399 H HN 0.543 nan 8.280 nan 0.000 0.630 400 G N 2.826 111.681 108.800 0.091 0.000 2.356 400 G HA2 -0.330 3.630 3.960 -0.000 0.000 0.296 400 G HA3 -0.330 3.630 3.960 -0.000 0.000 0.296 400 G C 0.130 175.131 174.900 0.169 0.000 1.022 400 G CA 0.750 45.921 45.100 0.118 0.000 0.961 400 G HN 0.813 nan 8.290 nan 0.000 0.510 401 R N -2.151 118.450 120.500 0.168 0.000 2.687 401 R HA 0.679 5.018 4.340 -0.000 0.000 0.265 401 R C -1.231 175.058 176.300 -0.018 0.000 1.048 401 R CA -1.229 54.961 56.100 0.151 0.000 0.884 401 R CB 1.161 31.540 30.300 0.132 0.000 1.258 401 R HN 0.144 nan 8.270 nan 0.000 0.469 402 K N 3.356 123.556 120.400 -0.334 0.000 2.394 402 K HA 0.329 4.649 4.320 -0.000 0.000 0.260 402 K C -0.555 175.852 176.600 -0.321 0.000 0.967 402 K CA -0.781 55.196 56.287 -0.516 0.000 0.855 402 K CB 1.412 33.187 32.500 -1.208 0.000 1.101 402 K HN 0.715 nan 8.250 nan 0.000 0.433 403 I N 7.014 127.501 120.570 -0.138 0.000 2.668 403 I HA 0.098 4.268 4.170 -0.000 0.000 0.285 403 I C -1.926 174.140 176.117 -0.085 0.000 1.168 403 I CA -1.518 59.742 61.300 -0.067 0.000 1.424 403 I CB 0.839 38.843 38.000 0.008 0.000 1.377 403 I HN 0.590 nan 8.210 nan 0.000 0.560 404 P HA 0.012 nan 4.420 nan 0.000 0.275 404 P C 0.922 178.203 177.300 -0.033 0.000 1.228 404 P CA -0.267 62.804 63.100 -0.048 0.000 0.786 404 P CB 1.392 33.078 31.700 -0.023 0.000 0.927 405 V N 3.353 123.250 119.914 -0.028 0.000 2.252 405 V HA -0.327 3.793 4.120 -0.000 0.000 0.249 405 V C 2.366 178.438 176.094 -0.037 0.000 1.056 405 V CA 2.480 64.766 62.300 -0.024 0.000 1.022 405 V CB -1.572 30.242 31.823 -0.015 0.000 0.641 405 V HN 0.611 nan 8.190 nan 0.000 0.445 406 N N -0.374 118.307 118.700 -0.032 0.000 2.060 406 N HA -0.301 4.439 4.740 -0.000 0.000 0.195 406 N C 1.985 177.459 175.510 -0.061 0.000 1.028 406 N CA 1.749 54.775 53.050 -0.040 0.000 0.861 406 N CB -0.220 38.250 38.487 -0.027 0.000 1.029 406 N HN 0.616 nan 8.380 nan 0.000 0.428 407 E N 0.878 121.045 120.200 -0.055 0.000 2.077 407 E HA -0.218 4.132 4.350 -0.000 0.000 0.193 407 E C 2.131 178.650 176.600 -0.135 0.000 0.989 407 E CA 0.870 57.228 56.400 -0.069 0.000 0.800 407 E CB -0.001 29.677 29.700 -0.036 0.000 0.746 407 E HN 0.333 nan 8.360 nan 0.000 0.452 408 M N 0.524 120.047 119.600 -0.127 0.000 2.065 408 M HA -0.201 4.279 4.480 -0.000 0.000 0.259 408 M C 2.069 178.149 176.300 -0.368 0.000 1.069 408 M CA 1.639 56.787 55.300 -0.252 0.000 1.110 408 M CB -0.169 32.398 32.600 -0.055 0.000 1.328 408 M HN 0.141 nan 8.290 nan 0.000 0.405 409 I N -0.027 120.427 120.570 -0.193 0.000 2.127 409 I HA -0.310 3.860 4.170 -0.000 0.000 0.241 409 I C 2.424 178.435 176.117 -0.176 0.000 1.075 409 I CA 1.574 62.780 61.300 -0.157 0.000 1.334 409 I CB -0.621 37.326 38.000 -0.087 0.000 1.040 409 I HN 0.368 nan 8.210 nan 0.000 0.405 410 S N 0.694 116.302 115.700 -0.153 0.000 2.359 410 S HA -0.235 4.235 4.470 -0.000 0.000 0.223 410 S C 1.929 176.428 174.600 -0.167 0.000 1.039 410 S CA 1.494 59.617 58.200 -0.128 0.000 1.042 410 S CB -0.308 62.834 63.200 -0.096 0.000 0.915 410 S HN 0.368 nan 8.310 nan 0.000 0.439 411 K N 0.515 120.761 120.400 -0.257 0.000 2.152 411 K HA -0.043 4.277 4.320 -0.000 0.000 0.206 411 K C 1.914 178.342 176.600 -0.286 0.000 1.048 411 K CA 1.148 57.264 56.287 -0.285 0.000 0.933 411 K CB -0.305 31.929 32.500 -0.443 0.000 0.721 411 K HN 0.391 nan 8.250 nan 0.000 0.447 412 I N 0.678 121.038 120.570 -0.351 0.000 2.277 412 I HA -0.190 3.980 4.170 -0.000 0.000 0.243 412 I C 1.944 178.005 176.117 -0.094 0.000 1.094 412 I CA 1.070 62.255 61.300 -0.192 0.000 1.393 412 I CB -0.182 37.715 38.000 -0.173 0.000 1.078 412 I HN 0.147 nan 8.210 nan 0.000 0.417 413 E N 0.896 121.039 120.200 -0.096 0.000 2.209 413 E HA -0.230 4.120 4.350 -0.000 0.000 0.196 413 E C 1.038 177.610 176.600 -0.046 0.000 0.993 413 E CA 1.099 57.464 56.400 -0.059 0.000 0.819 413 E CB -0.082 29.584 29.700 -0.057 0.000 0.745 413 E HN 0.456 nan 8.360 nan 0.000 0.477 414 D N 0.185 120.552 120.400 -0.055 0.000 2.349 414 D HA 0.030 4.670 4.640 -0.000 0.000 0.224 414 D C 0.368 176.654 176.300 -0.024 0.000 1.029 414 D CA 0.294 54.272 54.000 -0.037 0.000 0.879 414 D CB 0.074 40.850 40.800 -0.040 0.000 0.906 414 D HN 0.122 nan 8.370 nan 0.000 0.528 415 L N 0.828 122.038 121.223 -0.021 0.000 2.456 415 L HA 0.126 4.466 4.340 -0.000 0.000 0.272 415 L C 0.626 177.494 176.870 -0.004 0.000 1.189 415 L CA 0.454 55.291 54.840 -0.005 0.000 0.846 415 L CB 0.516 42.580 42.059 0.008 0.000 1.111 415 L HN -0.315 nan 8.230 nan 0.000 0.475 416 K N 3.237 123.637 120.400 -0.001 0.000 2.385 416 K HA 0.344 4.664 4.320 -0.000 0.000 0.248 416 K C -1.881 174.721 176.600 0.003 0.000 0.955 416 K CA -1.623 54.664 56.287 -0.000 0.000 0.816 416 K CB 1.909 34.408 32.500 -0.003 0.000 1.250 416 K HN 0.089 nan 8.250 nan 0.000 0.434 417 P HA -0.287 nan 4.420 nan 0.000 0.219 417 P C 0.253 177.558 177.300 0.010 0.000 1.158 417 P CA 1.551 64.658 63.100 0.011 0.000 0.895 417 P CB 0.208 31.916 31.700 0.014 0.000 0.792 418 D N -1.126 119.277 120.400 0.006 0.000 2.182 418 D HA -0.152 4.488 4.640 -0.000 0.000 0.201 418 D C 1.545 177.840 176.300 -0.007 0.000 0.986 418 D CA 1.017 55.019 54.000 0.003 0.000 0.847 418 D CB -0.710 40.091 40.800 0.001 0.000 0.942 418 D HN 0.243 nan 8.370 nan 0.000 0.467 419 D N 0.575 120.970 120.400 -0.009 0.000 2.084 419 D HA -0.125 4.515 4.640 -0.000 0.000 0.194 419 D C 2.217 178.497 176.300 -0.033 0.000 0.990 419 D CA 0.535 54.525 54.000 -0.017 0.000 0.826 419 D CB -0.082 40.714 40.800 -0.006 0.000 0.971 419 D HN 0.185 nan 8.370 nan 0.000 0.453 420 I N 1.137 121.695 120.570 -0.020 0.000 2.286 420 I HA -0.171 3.999 4.170 -0.000 0.000 0.248 420 I C 2.419 178.514 176.117 -0.037 0.000 1.115 420 I CA 0.892 62.174 61.300 -0.030 0.000 1.392 420 I CB -1.313 36.688 38.000 0.001 0.000 1.065 420 I HN -0.130 nan 8.210 nan 0.000 0.418 421 S N 0.367 116.063 115.700 -0.007 0.000 2.368 421 S HA -0.161 4.309 4.470 -0.000 0.000 0.224 421 S C 2.130 176.707 174.600 -0.037 0.000 1.029 421 S CA 1.049 59.261 58.200 0.019 0.000 0.988 421 S CB -0.250 62.977 63.200 0.045 0.000 0.838 421 S HN 0.381 nan 8.310 nan 0.000 0.462 422 R N 0.949 121.415 120.500 -0.056 0.000 2.083 422 R HA -0.100 4.240 4.340 -0.000 0.000 0.237 422 R C 2.046 178.241 176.300 -0.177 0.000 1.137 422 R CA 1.604 57.649 56.100 -0.092 0.000 0.951 422 R CB -0.447 29.815 30.300 -0.065 0.000 0.851 422 R HN 0.283 nan 8.270 nan 0.000 0.434 423 V N 1.011 120.812 119.914 -0.189 0.000 2.427 423 V HA -0.197 3.923 4.120 -0.000 0.000 0.248 423 V C 2.516 178.352 176.094 -0.430 0.000 1.051 423 V CA 1.770 63.896 62.300 -0.290 0.000 1.048 423 V CB -0.828 30.832 31.823 -0.271 0.000 0.666 423 V HN 0.516 nan 8.190 nan 0.000 0.456 424 A N 0.194 122.798 122.820 -0.361 0.000 1.883 424 A HA -0.307 4.013 4.320 -0.000 0.000 0.217 424 A C 2.309 179.498 177.584 -0.659 0.000 1.186 424 A CA 2.197 53.992 52.037 -0.404 0.000 0.624 424 A CB -0.559 18.422 19.000 -0.032 0.000 0.822 424 A HN 0.651 nan 8.150 nan 0.000 0.444 425 E N -0.706 119.043 120.200 -0.752 0.000 2.051 425 E HA -0.251 4.099 4.350 -0.000 0.000 0.192 425 E C 2.056 178.247 176.600 -0.681 0.000 0.991 425 E CA 1.535 57.253 56.400 -1.136 0.000 0.799 425 E CB -0.267 29.093 29.700 -0.567 0.000 0.748 425 E HN 0.624 nan 8.360 nan 0.000 0.449 426 M N 0.430 119.749 119.600 -0.468 0.000 2.082 426 M HA -0.202 4.277 4.480 -0.000 0.000 0.258 426 M C 1.770 177.805 176.300 -0.442 0.000 1.069 426 M CA 1.574 56.653 55.300 -0.368 0.000 1.102 426 M CB -0.070 32.349 32.600 -0.301 0.000 1.336 426 M HN 0.208 nan 8.290 nan 0.000 0.404 427 I N 0.139 120.342 120.570 -0.610 0.000 2.133 427 I HA -0.227 3.943 4.170 -0.000 0.000 0.238 427 I C 2.180 177.861 176.117 -0.726 0.000 1.074 427 I CA 1.684 62.565 61.300 -0.698 0.000 1.342 427 I CB -1.776 35.599 38.000 -1.041 0.000 1.053 427 I HN 0.257 nan 8.210 nan 0.000 0.404 428 F N 0.988 120.570 119.950 -0.613 0.000 2.546 428 F HA -0.075 4.452 4.527 -0.000 0.000 0.298 428 F C 2.490 177.838 175.800 -0.752 0.000 1.120 428 F CA 0.792 58.302 58.000 -0.818 0.000 1.456 428 F CB -1.419 37.314 39.000 -0.445 0.000 1.088 428 F HN 0.027 nan 8.300 nan 0.000 0.572 429 T N -1.298 113.024 114.554 -0.386 0.000 3.065 429 T HA 0.235 4.585 4.350 -0.000 0.000 0.252 429 T C 1.625 176.233 174.700 -0.154 0.000 1.099 429 T CA 0.863 62.842 62.100 -0.202 0.000 1.063 429 T CB -0.354 68.406 68.868 -0.180 0.000 0.948 429 T HN 0.421 nan 8.240 nan 0.000 0.506 430 G N 2.305 110.976 108.800 -0.215 0.000 2.182 430 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.248 430 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.248 430 G C 0.316 175.176 174.900 -0.067 0.000 1.042 430 G CA -0.128 44.937 45.100 -0.058 0.000 0.775 430 G HN 0.447 nan 8.290 nan 0.000 0.501 431 N N -0.082 118.540 118.700 -0.131 0.000 2.453 431 N HA 0.259 4.999 4.740 -0.000 0.000 0.270 431 N C 0.318 175.759 175.510 -0.115 0.000 1.195 431 N CA 0.072 53.060 53.050 -0.103 0.000 0.902 431 N CB 0.925 39.348 38.487 -0.106 0.000 1.186 431 N HN 0.248 nan 8.380 nan 0.000 0.510 432 V N 1.485 121.321 119.914 -0.130 0.000 2.509 432 V HA 0.254 4.374 4.120 -0.000 0.000 0.284 432 V C 0.138 176.194 176.094 -0.062 0.000 1.047 432 V CA -0.513 61.709 62.300 -0.131 0.000 0.952 432 V CB 1.435 33.144 31.823 -0.190 0.000 0.988 432 V HN 0.184 nan 8.190 nan 0.000 0.469 433 N N 4.462 123.148 118.700 -0.023 0.000 2.851 433 N HA 0.331 5.071 4.740 -0.000 0.000 0.248 433 N C -0.733 174.801 175.510 0.041 0.000 1.221 433 N CA -0.360 52.698 53.050 0.014 0.000 0.847 433 N CB 0.813 39.311 38.487 0.018 0.000 1.150 433 N HN 0.579 nan 8.380 nan 0.000 0.507 434 N N 0.323 119.050 118.700 0.046 0.000 2.458 434 N HA 0.243 4.983 4.740 -0.000 0.000 0.271 434 N C 1.296 176.852 175.510 0.077 0.000 1.210 434 N CA -0.379 52.716 53.050 0.074 0.000 0.978 434 N CB 1.038 39.577 38.487 0.086 0.000 1.206 434 N HN 0.323 nan 8.380 nan 0.000 0.536 435 A N 0.691 123.559 122.820 0.080 0.000 1.958 435 A HA -0.140 4.180 4.320 -0.000 0.000 0.221 435 A C 1.828 179.458 177.584 0.078 0.000 1.178 435 A CA 2.215 54.294 52.037 0.071 0.000 0.642 435 A CB -1.154 17.888 19.000 0.070 0.000 0.816 435 A HN 0.725 nan 8.150 nan 0.000 0.453 436 G N -1.200 107.659 108.800 0.099 0.000 2.776 436 G HA2 0.049 4.009 3.960 -0.000 0.000 0.209 436 G HA3 0.049 4.009 3.960 -0.000 0.000 0.209 436 G C 0.580 175.544 174.900 0.107 0.000 1.145 436 G CA 0.710 45.876 45.100 0.110 0.000 0.791 436 G HN 0.826 nan 8.290 nan 0.000 0.530 437 N N -0.512 118.244 118.700 0.093 0.000 2.641 437 N HA -0.089 4.651 4.740 -0.000 0.000 0.267 437 N C 0.573 176.146 175.510 0.105 0.000 1.087 437 N CA 0.758 53.858 53.050 0.082 0.000 0.731 437 N CB -1.172 37.354 38.487 0.065 0.000 0.886 437 N HN 0.426 nan 8.380 nan 0.000 0.547 438 G N 1.529 110.408 108.800 0.132 0.000 2.539 438 G HA2 0.401 4.361 3.960 -0.000 0.000 0.258 438 G HA3 0.401 4.361 3.960 -0.000 0.000 0.258 438 G C 0.082 175.092 174.900 0.184 0.000 1.202 438 G CA -0.615 44.607 45.100 0.204 0.000 0.851 438 G HN 0.362 nan 8.290 nan 0.000 0.556 439 K N 0.070 120.611 120.400 0.234 0.000 2.180 439 K HA 0.229 4.549 4.320 -0.000 0.000 0.251 439 K C 1.156 177.899 176.600 0.238 0.000 1.014 439 K CA -0.131 56.265 56.287 0.182 0.000 0.913 439 K CB 0.934 33.512 32.500 0.129 0.000 1.008 439 K HN 0.473 nan 8.250 nan 0.000 0.490 440 G N 0.711 109.620 108.800 0.181 0.000 3.448 440 G HA2 -0.019 3.941 3.960 -0.000 0.000 0.261 440 G HA3 -0.019 3.941 3.960 -0.000 0.000 0.261 440 G C 0.449 175.526 174.900 0.297 0.000 1.173 440 G CA -0.175 45.045 45.100 0.200 0.000 0.835 440 G HN 0.375 nan 8.290 nan 0.000 0.534 441 R N 0.636 121.306 120.500 0.284 0.000 2.441 441 R HA 0.555 4.895 4.340 -0.000 0.000 0.284 441 R C 0.488 176.914 176.300 0.211 0.000 1.070 441 R CA -0.331 55.899 56.100 0.218 0.000 1.047 441 R CB 0.638 30.992 30.300 0.090 0.000 1.016 441 R HN 0.103 nan 8.270 nan 0.000 0.477 442 A N 2.586 125.424 122.820 0.030 0.000 2.366 442 A HA 0.271 4.591 4.320 -0.000 0.000 0.249 442 A C -0.470 176.962 177.584 -0.253 0.000 1.084 442 A CA -0.081 51.689 52.037 -0.445 0.000 0.794 442 A CB 0.698 19.328 19.000 -0.616 0.000 1.034 442 A HN 0.734 nan 8.150 nan 0.000 0.491 443 T N 1.047 115.429 114.554 -0.288 0.000 2.770 443 T HA 0.535 4.885 4.350 -0.000 0.000 0.283 443 T C -0.813 173.790 174.700 -0.162 0.000 0.988 443 T CA -0.240 61.749 62.100 -0.185 0.000 0.957 443 T CB 0.954 69.742 68.868 -0.134 0.000 0.930 443 T HN 0.470 nan 8.240 nan 0.000 0.443 444 V N 4.040 123.870 119.914 -0.141 0.000 2.525 444 V HA 0.607 4.727 4.120 -0.000 0.000 0.299 444 V C -0.543 175.469 176.094 -0.138 0.000 1.034 444 V CA -0.736 61.489 62.300 -0.125 0.000 0.863 444 V CB 1.915 33.666 31.823 -0.121 0.000 0.999 444 V HN 0.652 nan 8.190 nan 0.000 0.423 445 V N 7.072 126.905 119.914 -0.135 0.000 2.709 445 V HA 0.769 4.889 4.120 -0.000 0.000 0.308 445 V C -0.428 175.553 176.094 -0.189 0.000 1.062 445 V CA -0.362 61.853 62.300 -0.142 0.000 0.901 445 V CB 1.957 33.718 31.823 -0.105 0.000 1.003 445 V HN 0.941 nan 8.190 nan 0.000 0.425 446 M N 4.244 123.701 119.600 -0.238 0.000 2.578 446 M HA 0.647 5.127 4.480 -0.000 0.000 0.276 446 M C -1.632 174.563 176.300 -0.175 0.000 1.245 446 M CA -0.811 54.299 55.300 -0.317 0.000 0.871 446 M CB 2.349 34.414 32.600 -0.892 0.000 1.722 446 M HN 0.571 nan 8.290 nan 0.000 0.473 447 Q N 0.934 120.699 119.800 -0.059 0.000 2.310 447 Q HA 0.746 5.086 4.340 -0.000 0.000 0.270 447 Q C -0.744 175.140 176.000 -0.193 0.000 1.025 447 Q CA 0.114 55.898 55.803 -0.031 0.000 0.772 447 Q CB 2.153 30.954 28.738 0.106 0.000 1.253 447 Q HN 1.177 nan 8.270 nan 0.000 0.450 448 G N 2.729 111.274 108.800 -0.426 0.000 2.350 448 G HA2 -0.050 3.910 3.960 -0.000 0.000 0.282 448 G HA3 -0.050 3.910 3.960 -0.000 0.000 0.282 448 G C -1.789 172.809 174.900 -0.504 0.000 1.314 448 G CA -0.621 43.702 45.100 -1.294 0.000 0.915 448 G HN 0.696 nan 8.290 nan 0.000 0.499 449 D N -0.517 119.689 120.400 -0.324 0.000 2.348 449 D HA 0.480 5.120 4.640 -0.000 0.000 0.253 449 D C 1.538 177.930 176.300 0.154 0.000 1.161 449 D CA -0.326 53.689 54.000 0.025 0.000 0.876 449 D CB 1.409 42.286 40.800 0.129 0.000 1.160 449 D HN 0.586 nan 8.370 nan 0.000 0.459 450 R N 3.470 124.054 120.500 0.141 0.000 2.096 450 R HA -0.098 4.241 4.340 -0.000 0.000 0.240 450 R C 2.087 178.532 176.300 0.241 0.000 1.139 450 R CA 2.282 58.513 56.100 0.217 0.000 0.952 450 R CB -1.064 29.291 30.300 0.090 0.000 0.854 450 R HN 0.624 nan 8.270 nan 0.000 0.436 451 G N -0.653 108.223 108.800 0.127 0.000 2.513 451 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.219 451 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.219 451 G C 1.486 176.427 174.900 0.069 0.000 1.160 451 G CA 1.260 46.410 45.100 0.085 0.000 0.767 451 G HN 0.448 nan 8.290 nan 0.000 0.571 452 S N 0.412 116.125 115.700 0.022 0.000 2.461 452 S HA -0.109 4.361 4.470 -0.000 0.000 0.246 452 S C 1.685 176.120 174.600 -0.275 0.000 1.007 452 S CA 1.125 59.240 58.200 -0.142 0.000 0.976 452 S CB -0.329 62.768 63.200 -0.172 0.000 0.763 452 S HN 0.405 nan 8.310 nan 0.000 0.508 453 F N 0.858 120.843 119.950 0.057 0.000 2.714 453 F HA 0.337 4.864 4.527 -0.000 0.000 0.294 453 F C 1.755 177.566 175.800 0.019 0.000 1.120 453 F CA 0.373 58.397 58.000 0.039 0.000 1.398 453 F CB -0.371 38.652 39.000 0.039 0.000 1.120 453 F HN 0.315 nan 8.300 nan 0.000 0.589 454 G N 0.295 109.187 108.800 0.154 0.000 2.693 454 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.226 454 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.226 454 G C -0.779 174.180 174.900 0.098 0.000 1.354 454 G CA -0.417 44.739 45.100 0.094 0.000 0.873 454 G HN 0.137 nan 8.290 nan 0.000 0.562 455 D N 0.510 120.953 120.400 0.071 0.000 2.416 455 D HA 0.352 4.992 4.640 -0.000 0.000 0.240 455 D C 1.869 178.212 176.300 0.072 0.000 1.250 455 D CA 0.375 54.412 54.000 0.062 0.000 0.967 455 D CB 0.737 41.567 40.800 0.050 0.000 1.059 455 D HN 0.326 nan 8.370 nan 0.000 0.512 456 V N 3.825 123.782 119.914 0.072 0.000 2.307 456 V HA -0.202 3.918 4.120 -0.000 0.000 0.245 456 V C 2.368 178.501 176.094 0.066 0.000 1.045 456 V CA 1.718 64.057 62.300 0.066 0.000 1.024 456 V CB -0.464 31.381 31.823 0.036 0.000 0.651 456 V HN 0.583 nan 8.190 nan 0.000 0.449 457 E N 0.475 120.709 120.200 0.057 0.000 2.150 457 E HA -0.273 4.077 4.350 -0.000 0.000 0.193 457 E C 2.032 178.685 176.600 0.088 0.000 0.985 457 E CA 1.496 57.937 56.400 0.070 0.000 0.814 457 E CB -0.141 29.591 29.700 0.054 0.000 0.752 457 E HN 0.649 nan 8.360 nan 0.000 0.466 458 N N -0.439 118.307 118.700 0.077 0.000 2.188 458 N HA -0.134 4.606 4.740 -0.000 0.000 0.184 458 N C 1.637 177.210 175.510 0.106 0.000 1.018 458 N CA 1.343 54.441 53.050 0.079 0.000 0.858 458 N CB 0.082 38.605 38.487 0.061 0.000 0.989 458 N HN 0.017 nan 8.380 nan 0.000 0.426 459 V N 0.742 120.727 119.914 0.118 0.000 2.358 459 V HA -0.166 3.954 4.120 -0.000 0.000 0.246 459 V C 2.254 178.489 176.094 0.236 0.000 1.047 459 V CA 1.240 63.643 62.300 0.171 0.000 1.035 459 V CB -0.558 31.341 31.823 0.128 0.000 0.658 459 V HN 0.339 nan 8.190 nan 0.000 0.452 460 L N -0.555 120.777 121.223 0.181 0.000 2.046 460 L HA -0.181 4.159 4.340 -0.000 0.000 0.208 460 L C 2.600 179.619 176.870 0.247 0.000 1.077 460 L CA 1.671 56.646 54.840 0.225 0.000 0.747 460 L CB -0.576 41.616 42.059 0.223 0.000 0.896 460 L HN 0.273 nan 8.230 nan 0.000 0.432 461 K N 0.073 120.585 120.400 0.187 0.000 2.057 461 K HA -0.103 4.217 4.320 -0.000 0.000 0.206 461 K C 2.214 178.892 176.600 0.131 0.000 1.050 461 K CA 1.221 57.599 56.287 0.152 0.000 0.935 461 K CB -0.268 32.298 32.500 0.109 0.000 0.715 461 K HN 0.253 nan 8.250 nan 0.000 0.439 462 A N 0.346 123.240 122.820 0.122 0.000 2.084 462 A HA -0.179 4.141 4.320 -0.000 0.000 0.221 462 A C 1.263 178.799 177.584 -0.080 0.000 1.161 462 A CA 1.364 53.415 52.037 0.023 0.000 0.653 462 A CB -0.489 18.530 19.000 0.032 0.000 0.802 462 A HN 0.341 nan 8.150 nan 0.000 0.457 463 Y N -1.192 119.111 120.300 0.005 0.000 2.485 463 Y HA 0.371 4.921 4.550 -0.000 0.000 0.260 463 Y C 1.748 177.728 175.900 0.133 0.000 1.173 463 Y CA 0.100 58.187 58.100 -0.021 0.000 1.252 463 Y CB 0.160 38.603 38.460 -0.030 0.000 1.123 463 Y HN 0.421 nan 8.280 nan 0.000 0.524 464 G N 0.576 109.515 108.800 0.231 0.000 2.168 464 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.263 464 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.263 464 G C 0.168 175.226 174.900 0.264 0.000 0.977 464 G CA 0.213 45.451 45.100 0.230 0.000 0.659 464 G HN 0.271 nan 8.290 nan 0.000 0.533 465 L N 0.154 121.549 121.223 0.286 0.000 2.436 465 L HA 0.563 4.903 4.340 -0.000 0.000 0.265 465 L C 1.537 178.537 176.870 0.216 0.000 1.168 465 L CA 0.519 55.496 54.840 0.228 0.000 0.815 465 L CB 0.733 42.969 42.059 0.296 0.000 1.109 465 L HN 1.081 nan 8.230 nan 0.000 0.462 466 G N 2.103 110.943 108.800 0.066 0.000 2.693 466 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.226 466 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.226 466 G C -0.967 174.029 174.900 0.161 0.000 1.354 466 G CA -0.032 45.235 45.100 0.279 0.000 0.873 466 G HN 0.951 nan 8.290 nan 0.000 0.562 467 N N -1.977 116.832 118.700 0.183 0.000 2.367 467 N HA 0.610 5.350 4.740 -0.000 0.000 0.278 467 N C 0.272 175.852 175.510 0.116 0.000 1.117 467 N CA 0.516 53.638 53.050 0.120 0.000 0.867 467 N CB 1.761 40.300 38.487 0.088 0.000 1.649 467 N HN 0.849 nan 8.380 nan 0.000 0.479 468 S N 0.677 116.431 115.700 0.090 0.000 2.526 468 S HA 0.184 4.654 4.470 -0.000 0.000 0.220 468 S C -0.166 174.470 174.600 0.060 0.000 1.017 468 S CA 0.021 58.267 58.200 0.076 0.000 0.930 468 S CB -0.281 62.962 63.200 0.070 0.000 0.856 468 S HN 0.718 nan 8.310 nan 0.000 0.497 469 S N 0.953 116.687 115.700 0.056 0.000 2.565 469 S HA 0.613 5.083 4.470 -0.000 0.000 0.276 469 S C 0.091 174.718 174.600 0.045 0.000 1.326 469 S CA -0.441 57.785 58.200 0.045 0.000 1.045 469 S CB 1.508 64.731 63.200 0.039 0.000 0.918 469 S HN 0.198 nan 8.310 nan 0.000 0.505 470 S N 0.000 115.723 115.700 0.039 0.000 2.498 470 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 470 S CA 0.000 58.223 58.200 0.038 0.000 1.107 470 S CB 0.000 63.221 63.200 0.035 0.000 0.593 470 S HN 0.000 nan 8.310 nan 0.000 0.517