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 3cis_1_G DATA FIRST_RESID 4 DATA SEQUENCE GNSSLGIIVG IDDSPAAQVA VRWAARDAEL RKIPLTLVHA VSPEVATWLE DATA SEQUENCE VPLPPGVLRW QQDHGRHLID DALKVVEQAS LRAGPPTVHS EIVPAAAVPT DATA SEQUENCE LVDMSKDAVL MVVGCLGSGR WPGRLLGSVS SGLLRHAHCP VVIIHDEDSV DATA SEQUENCE MPHPQQAPVL VGVDGSSASE LATAIAFDEA SRRNVDLVAL HAWSDVDVSE DATA SEQUENCE WPGIDWPATQ SMAEQVLAER LAGWQERYPN VAITRVVVRD QPARQLVQRS DATA SEQUENCE EEAQLVVVGS RGRGGYAGML VGSVGETVAQ LARTPVIVAR ES 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 4 G HA2 0.000 nan 3.960 nan 0.000 0.244 4 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 4 G C 0.000 174.910 174.900 0.016 0.000 0.946 4 G CA 0.000 45.103 45.100 0.005 0.000 0.502 5 N N -0.192 118.520 118.700 0.019 0.000 2.791 5 N HA -0.269 4.471 4.740 -0.000 0.000 0.250 5 N C 0.909 176.440 175.510 0.034 0.000 1.082 5 N CA 1.183 54.253 53.050 0.033 0.000 0.680 5 N CB -0.797 37.717 38.487 0.045 0.000 0.918 5 N HN 1.267 nan 8.380 nan 0.000 0.555 6 S N -3.329 112.387 115.700 0.027 0.000 4.026 6 S HA -0.062 4.408 4.470 -0.000 0.000 0.198 6 S C 1.483 176.094 174.600 0.018 0.000 1.069 6 S CA 0.397 58.612 58.200 0.025 0.000 1.200 6 S CB -0.597 62.616 63.200 0.022 0.000 1.385 6 S HN 0.350 nan 8.310 nan 0.000 0.449 7 S N 3.006 118.712 115.700 0.010 0.000 2.400 7 S HA 0.079 4.549 4.470 -0.000 0.000 0.232 7 S C 1.655 176.254 174.600 -0.001 0.000 1.025 7 S CA 1.300 59.500 58.200 -0.000 0.000 0.993 7 S CB -0.919 62.275 63.200 -0.009 0.000 0.808 7 S HN 0.511 nan 8.310 nan 0.000 0.478 8 L N 1.286 122.516 121.223 0.011 0.000 2.478 8 L HA 0.212 4.552 4.340 -0.000 0.000 0.223 8 L C 2.052 178.941 176.870 0.031 0.000 1.140 8 L CA 0.306 55.159 54.840 0.021 0.000 0.842 8 L CB -1.360 40.720 42.059 0.034 0.000 0.953 8 L HN 0.663 nan 8.230 nan 0.000 0.452 9 G N 1.133 109.951 108.800 0.030 0.000 2.565 9 G HA2 -0.339 3.621 3.960 -0.000 0.000 0.295 9 G HA3 -0.339 3.621 3.960 -0.000 0.000 0.295 9 G C 0.114 175.045 174.900 0.051 0.000 1.165 9 G CA -0.032 45.089 45.100 0.035 0.000 0.977 9 G HN 0.132 nan 8.290 nan 0.000 0.546 10 I N 1.729 122.332 120.570 0.055 0.000 2.304 10 I HA 0.406 4.576 4.170 -0.000 0.000 0.291 10 I C 0.351 176.515 176.117 0.077 0.000 1.018 10 I CA -0.302 61.044 61.300 0.078 0.000 1.260 10 I CB 1.012 39.065 38.000 0.088 0.000 1.390 10 I HN 0.261 nan 8.210 nan 0.000 0.475 11 I N 7.027 127.645 120.570 0.078 0.000 2.353 11 I HA 0.334 4.504 4.170 -0.000 0.000 0.293 11 I C -0.300 175.861 176.117 0.073 0.000 0.992 11 I CA -0.604 60.738 61.300 0.070 0.000 1.268 11 I CB 1.991 40.028 38.000 0.061 0.000 1.387 11 I HN 0.262 nan 8.210 nan 0.000 0.478 12 V N 6.010 125.964 119.914 0.067 0.000 2.531 12 V HA 0.680 4.800 4.120 -0.000 0.000 0.301 12 V C 0.176 176.299 176.094 0.049 0.000 1.034 12 V CA -0.263 62.074 62.300 0.062 0.000 0.865 12 V CB 1.678 33.546 31.823 0.075 0.000 0.995 12 V HN 0.832 nan 8.190 nan 0.000 0.424 13 G N 7.266 116.090 108.800 0.041 0.000 2.370 13 G HA2 0.531 4.491 3.960 -0.000 0.000 0.272 13 G HA3 0.531 4.491 3.960 -0.000 0.000 0.272 13 G C -0.575 174.360 174.900 0.058 0.000 1.208 13 G CA -0.410 44.717 45.100 0.045 0.000 0.856 13 G HN 0.574 nan 8.290 nan 0.000 0.500 14 I N 2.838 123.463 120.570 0.091 0.000 2.377 14 I HA 0.454 4.624 4.170 -0.000 0.000 0.293 14 I C -0.448 175.780 176.117 0.184 0.000 0.987 14 I CA -0.774 60.581 61.300 0.091 0.000 1.185 14 I CB 1.523 39.549 38.000 0.044 0.000 1.341 14 I HN 0.687 nan 8.210 nan 0.000 0.455 15 D N 3.665 124.132 120.400 0.113 0.000 2.664 15 D HA 0.154 4.794 4.640 -0.000 0.000 0.292 15 D C -1.044 175.295 176.300 0.066 0.000 1.214 15 D CA -0.471 53.617 54.000 0.147 0.000 0.932 15 D CB 1.099 42.010 40.800 0.186 0.000 1.420 15 D HN 0.236 nan 8.370 nan 0.000 0.471 16 D N -0.139 120.327 120.400 0.111 0.000 2.483 16 D HA 0.397 5.037 4.640 -0.000 0.000 0.220 16 D C -1.035 175.317 176.300 0.087 0.000 1.173 16 D CA 0.150 54.205 54.000 0.092 0.000 0.964 16 D CB -0.608 40.306 40.800 0.190 0.000 1.046 16 D HN 0.535 nan 8.370 nan 0.000 0.517 17 S N 2.046 117.780 115.700 0.056 0.000 2.558 17 S HA 0.410 4.880 4.470 -0.000 0.000 0.277 17 S C -2.412 172.209 174.600 0.035 0.000 1.143 17 S CA -1.057 57.173 58.200 0.051 0.000 0.865 17 S CB 1.743 64.976 63.200 0.054 0.000 1.102 17 S HN -0.029 nan 8.310 nan 0.000 0.454 18 P HA -0.065 nan 4.420 nan 0.000 0.215 18 P C 1.715 179.029 177.300 0.023 0.000 1.157 18 P CA 2.322 65.439 63.100 0.028 0.000 0.874 18 P CB -0.189 31.529 31.700 0.030 0.000 0.790 19 A N -0.033 122.798 122.820 0.019 0.000 1.902 19 A HA -0.131 4.189 4.320 -0.000 0.000 0.217 19 A C 2.349 179.933 177.584 -0.002 0.000 1.181 19 A CA 2.196 54.234 52.037 0.002 0.000 0.623 19 A CB -1.623 17.368 19.000 -0.015 0.000 0.818 19 A HN 0.205 nan 8.150 nan 0.000 0.443 20 A N -0.975 121.850 122.820 0.009 0.000 1.972 20 A HA -0.208 4.112 4.320 -0.000 0.000 0.219 20 A C 2.172 179.767 177.584 0.019 0.000 1.169 20 A CA 1.761 53.807 52.037 0.014 0.000 0.635 20 A CB -0.503 18.512 19.000 0.026 0.000 0.810 20 A HN 0.687 nan 8.150 nan 0.000 0.446 21 Q N -0.406 119.405 119.800 0.019 0.000 2.046 21 Q HA -0.112 4.228 4.340 -0.000 0.000 0.200 21 Q C 2.040 178.061 176.000 0.035 0.000 0.975 21 Q CA 1.912 57.727 55.803 0.021 0.000 0.836 21 Q CB -0.225 28.523 28.738 0.016 0.000 0.896 21 Q HN 0.554 nan 8.270 nan 0.000 0.428 22 V N 0.121 120.059 119.914 0.039 0.000 2.809 22 V HA -0.072 4.048 4.120 -0.000 0.000 0.256 22 V C 1.961 178.108 176.094 0.089 0.000 1.080 22 V CA 1.715 64.051 62.300 0.061 0.000 1.102 22 V CB -0.520 31.337 31.823 0.057 0.000 0.705 22 V HN 0.442 nan 8.190 nan 0.000 0.475 23 A N 0.003 122.856 122.820 0.055 0.000 1.902 23 A HA -0.116 4.204 4.320 -0.000 0.000 0.217 23 A C 2.348 180.010 177.584 0.129 0.000 1.181 23 A CA 2.230 54.307 52.037 0.066 0.000 0.623 23 A CB -0.828 18.177 19.000 0.008 0.000 0.818 23 A HN 0.504 nan 8.150 nan 0.000 0.443 24 V N 0.192 120.158 119.914 0.087 0.000 2.358 24 V HA -0.269 3.851 4.120 -0.000 0.000 0.246 24 V C 2.631 178.776 176.094 0.086 0.000 1.047 24 V CA 2.144 64.491 62.300 0.078 0.000 1.035 24 V CB -0.846 31.001 31.823 0.040 0.000 0.658 24 V HN 0.538 nan 8.190 nan 0.000 0.452 25 R N -1.312 119.240 120.500 0.088 0.000 2.080 25 R HA -0.254 4.086 4.340 -0.000 0.000 0.236 25 R C 2.151 178.508 176.300 0.096 0.000 1.137 25 R CA 2.285 58.428 56.100 0.072 0.000 0.943 25 R CB -0.608 29.735 30.300 0.072 0.000 0.846 25 R HN 0.631 nan 8.270 nan 0.000 0.431 26 W N 1.373 122.667 121.300 -0.011 0.000 2.355 26 W HA -0.206 4.454 4.660 -0.000 0.000 0.309 26 W C 2.438 178.950 176.519 -0.012 0.000 1.206 26 W CA 2.080 59.419 57.345 -0.011 0.000 1.284 26 W CB -0.271 29.182 29.460 -0.012 0.000 1.145 26 W HN 0.153 nan 8.180 nan 0.000 0.502 27 A N 0.532 123.572 122.820 0.367 0.000 1.908 27 A HA -0.133 4.187 4.320 -0.000 0.000 0.218 27 A C 2.042 179.625 177.584 -0.003 0.000 1.181 27 A CA 2.646 54.821 52.037 0.230 0.000 0.627 27 A CB -1.573 17.560 19.000 0.220 0.000 0.818 27 A HN 0.415 nan 8.150 nan 0.000 0.445 28 A N -0.340 122.473 122.820 -0.011 0.000 1.865 28 A HA -0.184 4.136 4.320 -0.000 0.000 0.217 28 A C 2.244 179.750 177.584 -0.130 0.000 1.191 28 A CA 1.569 53.574 52.037 -0.054 0.000 0.623 28 A CB -0.517 18.463 19.000 -0.034 0.000 0.826 28 A HN 0.432 nan 8.150 nan 0.000 0.444 29 R N -0.294 120.088 120.500 -0.197 0.000 2.096 29 R HA -0.194 4.146 4.340 -0.000 0.000 0.240 29 R C 1.858 177.954 176.300 -0.339 0.000 1.139 29 R CA 1.965 57.900 56.100 -0.276 0.000 0.952 29 R CB -1.025 29.070 30.300 -0.341 0.000 0.854 29 R HN 0.718 nan 8.270 nan 0.000 0.436 30 D N -0.025 120.076 120.400 -0.498 0.000 2.117 30 D HA -0.058 4.582 4.640 -0.000 0.000 0.198 30 D C 1.795 177.960 176.300 -0.225 0.000 0.982 30 D CA 1.365 55.073 54.000 -0.486 0.000 0.828 30 D CB 0.032 40.356 40.800 -0.793 0.000 0.967 30 D HN 0.244 nan 8.370 nan 0.000 0.464 31 A N 0.353 123.084 122.820 -0.149 0.000 1.933 31 A HA -0.212 4.108 4.320 -0.000 0.000 0.218 31 A C 2.095 179.636 177.584 -0.073 0.000 1.175 31 A CA 1.741 53.736 52.037 -0.071 0.000 0.628 31 A CB -0.697 18.284 19.000 -0.033 0.000 0.814 31 A HN 0.380 nan 8.150 nan 0.000 0.444 32 E N -0.646 119.496 120.200 -0.097 0.000 2.047 32 E HA -0.196 4.154 4.350 -0.000 0.000 0.191 32 E C 1.914 178.462 176.600 -0.085 0.000 0.987 32 E CA 1.277 57.625 56.400 -0.086 0.000 0.799 32 E CB -0.206 29.432 29.700 -0.104 0.000 0.752 32 E HN 0.397 nan 8.360 nan 0.000 0.449 33 L N 1.401 122.554 121.223 -0.116 0.000 2.012 33 L HA -0.157 4.183 4.340 -0.000 0.000 0.210 33 L C 2.194 179.029 176.870 -0.057 0.000 1.073 33 L CA 1.853 56.635 54.840 -0.097 0.000 0.748 33 L CB -0.243 41.735 42.059 -0.134 0.000 0.891 33 L HN 0.033 nan 8.230 nan 0.000 0.431 34 R N -0.525 119.942 120.500 -0.055 0.000 2.299 34 R HA 0.034 4.374 4.340 -0.000 0.000 0.197 34 R C -0.014 176.278 176.300 -0.013 0.000 0.971 34 R CA -0.113 55.974 56.100 -0.021 0.000 1.030 34 R CB 0.035 30.327 30.300 -0.013 0.000 0.932 34 R HN 0.047 nan 8.270 nan 0.000 0.477 35 K N 1.202 121.587 120.400 -0.024 0.000 3.451 35 K HA -0.175 4.145 4.320 -0.000 0.000 0.273 35 K C -0.373 176.222 176.600 -0.009 0.000 0.944 35 K CA 1.004 57.281 56.287 -0.017 0.000 0.734 35 K CB -1.911 30.583 32.500 -0.011 0.000 1.437 35 K HN 0.520 nan 8.250 nan 0.000 0.454 36 I N -4.105 116.460 120.570 -0.009 0.000 3.042 36 I HA 0.609 4.779 4.170 -0.000 0.000 0.310 36 I C -2.493 173.625 176.117 0.001 0.000 1.117 36 I CA -3.169 58.131 61.300 0.000 0.000 1.003 36 I CB 2.404 40.410 38.000 0.009 0.000 1.228 36 I HN -0.259 nan 8.210 nan 0.000 0.443 37 P HA 0.111 nan 4.420 nan 0.000 0.265 37 P C -0.949 176.366 177.300 0.025 0.000 1.187 37 P CA 0.018 63.124 63.100 0.011 0.000 0.766 37 P CB 0.454 32.158 31.700 0.005 0.000 0.820 38 L N 3.519 124.762 121.223 0.034 0.000 2.307 38 L HA 0.530 4.870 4.340 -0.000 0.000 0.284 38 L C -0.546 176.368 176.870 0.073 0.000 1.023 38 L CA 0.321 55.188 54.840 0.046 0.000 0.810 38 L CB 1.370 43.448 42.059 0.032 0.000 1.231 38 L HN 0.229 nan 8.230 nan 0.000 0.423 39 T N 6.108 120.708 114.554 0.077 0.000 2.833 39 T HA 0.539 4.889 4.350 -0.000 0.000 0.297 39 T C -0.638 174.102 174.700 0.066 0.000 1.015 39 T CA -0.299 61.859 62.100 0.097 0.000 0.963 39 T CB 0.665 69.597 68.868 0.108 0.000 0.955 39 T HN 0.275 nan 8.240 nan 0.000 0.449 40 L N 3.793 125.042 121.223 0.042 0.000 2.292 40 L HA 0.625 4.965 4.340 -0.000 0.000 0.284 40 L C -0.192 176.690 176.870 0.020 0.000 1.065 40 L CA -0.336 54.519 54.840 0.025 0.000 0.806 40 L CB 1.194 43.254 42.059 0.002 0.000 1.175 40 L HN 0.362 nan 8.230 nan 0.000 0.431 41 V N 2.188 122.126 119.914 0.039 0.000 2.577 41 V HA 0.373 4.493 4.120 -0.000 0.000 0.303 41 V C -1.113 175.034 176.094 0.087 0.000 1.042 41 V CA -0.716 61.611 62.300 0.045 0.000 0.872 41 V CB 1.686 33.530 31.823 0.036 0.000 0.998 41 V HN 0.773 nan 8.190 nan 0.000 0.423 42 H N 3.344 122.400 119.070 -0.025 0.000 2.547 42 H HA 0.800 5.356 4.556 -0.000 0.000 0.342 42 H C -0.298 175.024 175.328 -0.009 0.000 1.048 42 H CA -0.014 56.022 56.048 -0.020 0.000 1.204 42 H CB 1.762 31.497 29.762 -0.045 0.000 1.493 42 H HN 0.876 nan 8.280 nan 0.000 0.511 43 A N 4.813 127.338 122.820 -0.491 0.000 2.258 43 A HA 0.532 4.852 4.320 -0.000 0.000 0.316 43 A C -0.835 176.488 177.584 -0.434 0.000 1.279 43 A CA -0.364 51.473 52.037 -0.333 0.000 0.876 43 A CB 0.194 19.096 19.000 -0.163 0.000 1.170 43 A HN 0.780 nan 8.150 nan 0.000 0.520 44 V N 1.496 121.260 119.914 -0.250 0.000 2.350 44 V HA 0.635 4.755 4.120 -0.000 0.000 0.285 44 V C 0.074 176.148 176.094 -0.034 0.000 1.014 44 V CA -0.398 61.837 62.300 -0.108 0.000 0.831 44 V CB 0.890 32.717 31.823 0.006 0.000 1.000 44 V HN 0.741 nan 8.190 nan 0.000 0.433 45 S N 6.849 122.537 115.700 -0.020 0.000 2.510 45 S HA 0.393 4.863 4.470 -0.000 0.000 0.279 45 S C -0.743 173.869 174.600 0.021 0.000 1.284 45 S CA -0.616 57.584 58.200 -0.001 0.000 1.059 45 S CB 1.113 64.312 63.200 -0.002 0.000 0.901 45 S HN 0.895 nan 8.310 nan 0.000 0.491 46 P HA 0.070 nan 4.420 nan 0.000 0.236 46 P C -0.087 177.229 177.300 0.027 0.000 1.177 46 P CA 0.391 63.510 63.100 0.031 0.000 0.773 46 P CB 0.253 31.968 31.700 0.025 0.000 0.878 47 E N 0.156 120.367 120.200 0.020 0.000 2.174 47 E HA 0.337 4.687 4.350 -0.000 0.000 0.282 47 E C -0.904 175.704 176.600 0.015 0.000 0.992 47 E CA -0.660 55.750 56.400 0.017 0.000 0.803 47 E CB 1.536 31.244 29.700 0.014 0.000 1.090 47 E HN -0.212 nan 8.360 nan 0.000 0.396 48 V N 3.635 123.556 119.914 0.012 0.000 2.293 48 V HA 0.273 4.393 4.120 -0.000 0.000 0.275 48 V C 0.104 176.203 176.094 0.008 0.000 1.021 48 V CA -0.748 61.554 62.300 0.004 0.000 0.815 48 V CB 0.952 32.772 31.823 -0.005 0.000 1.025 48 V HN 0.775 nan 8.190 nan 0.000 0.448 49 A N 3.927 126.753 122.820 0.011 0.000 2.515 49 A HA 0.474 4.794 4.320 -0.000 0.000 0.263 49 A C 0.525 178.124 177.584 0.025 0.000 1.096 49 A CA 0.613 52.665 52.037 0.026 0.000 0.769 49 A CB 0.133 19.151 19.000 0.030 0.000 1.040 49 A HN 0.765 nan 8.150 nan 0.000 0.505 50 T N 1.608 116.194 114.554 0.054 0.000 2.930 50 T HA 0.427 4.777 4.350 -0.000 0.000 0.290 50 T C 0.468 175.287 174.700 0.198 0.000 1.052 50 T CA -0.466 61.674 62.100 0.067 0.000 1.017 50 T CB 0.429 69.324 68.868 0.046 0.000 1.137 50 T HN 0.585 nan 8.240 nan 0.000 0.511 51 W N 1.619 122.915 121.300 -0.006 0.000 2.425 51 W HA 0.141 4.801 4.660 -0.000 0.000 0.277 51 W C 1.617 178.132 176.519 -0.006 0.000 1.231 51 W CA 0.470 57.812 57.345 -0.006 0.000 1.248 51 W CB -0.700 28.756 29.460 -0.007 0.000 1.117 51 W HN 0.571 nan 8.180 nan 0.000 0.568 52 L N 0.475 121.826 121.223 0.212 0.000 2.653 52 L HA 0.194 4.534 4.340 -0.000 0.000 0.232 52 L C 0.464 177.379 176.870 0.076 0.000 1.169 52 L CA 0.162 55.068 54.840 0.109 0.000 0.951 52 L CB -1.500 40.610 42.059 0.084 0.000 1.181 52 L HN -0.029 nan 8.230 nan 0.000 0.460 53 E N -1.060 119.194 120.200 0.090 0.000 2.202 53 E HA -0.208 4.142 4.350 -0.000 0.000 0.214 53 E C -0.226 176.398 176.600 0.041 0.000 1.303 53 E CA 0.027 56.464 56.400 0.061 0.000 0.714 53 E CB -1.687 28.041 29.700 0.047 0.000 1.130 53 E HN 0.312 nan 8.360 nan 0.000 0.356 54 V N 0.466 120.404 119.914 0.040 0.000 2.680 54 V HA 0.426 4.546 4.120 -0.000 0.000 0.309 54 V C -1.745 174.362 176.094 0.022 0.000 1.052 54 V CA -1.732 60.584 62.300 0.027 0.000 0.908 54 V CB 2.046 33.884 31.823 0.024 0.000 1.001 54 V HN 0.085 nan 8.190 nan 0.000 0.431 55 P HA 0.411 nan 4.420 nan 0.000 0.277 55 P C -1.096 176.212 177.300 0.013 0.000 1.271 55 P CA -0.630 62.480 63.100 0.017 0.000 0.795 55 P CB 0.416 32.126 31.700 0.016 0.000 1.101 56 L N 1.926 123.158 121.223 0.015 0.000 2.380 56 L HA 0.284 4.624 4.340 -0.000 0.000 0.273 56 L C -1.911 174.968 176.870 0.014 0.000 1.138 56 L CA -1.222 53.626 54.840 0.013 0.000 0.832 56 L CB -1.142 40.930 42.059 0.022 0.000 1.124 56 L HN 0.289 nan 8.230 nan 0.000 0.454 57 P HA 0.040 nan 4.420 nan 0.000 0.264 57 P C -2.018 175.295 177.300 0.023 0.000 1.183 57 P CA -0.748 62.358 63.100 0.010 0.000 0.763 57 P CB 0.027 31.725 31.700 -0.003 0.000 0.807 58 P HA -0.084 nan 4.420 nan 0.000 0.225 58 P C 1.411 178.741 177.300 0.049 0.000 1.148 58 P CA 1.285 64.406 63.100 0.035 0.000 0.779 58 P CB -0.089 31.628 31.700 0.028 0.000 0.780 59 G N -0.446 108.381 108.800 0.046 0.000 2.448 59 G HA2 -0.140 3.820 3.960 -0.000 0.000 0.218 59 G HA3 -0.140 3.820 3.960 -0.000 0.000 0.218 59 G C 1.517 176.479 174.900 0.103 0.000 1.135 59 G CA 0.264 45.403 45.100 0.064 0.000 0.784 59 G HN 0.160 nan 8.290 nan 0.000 0.543 60 V N 0.719 120.679 119.914 0.077 0.000 2.379 60 V HA -0.038 4.082 4.120 -0.000 0.000 0.245 60 V C 2.855 179.070 176.094 0.203 0.000 1.044 60 V CA 1.077 63.442 62.300 0.109 0.000 1.036 60 V CB -0.326 31.513 31.823 0.025 0.000 0.664 60 V HN 0.323 nan 8.190 nan 0.000 0.453 61 L N -0.469 120.832 121.223 0.131 0.000 2.042 61 L HA -0.223 4.117 4.340 -0.000 0.000 0.210 61 L C 2.772 179.717 176.870 0.125 0.000 1.076 61 L CA 1.800 56.711 54.840 0.119 0.000 0.749 61 L CB -0.482 41.620 42.059 0.072 0.000 0.893 61 L HN 0.245 nan 8.230 nan 0.000 0.432 62 R N -1.537 119.037 120.500 0.122 0.000 2.115 62 R HA -0.199 4.141 4.340 -0.000 0.000 0.226 62 R C 2.049 178.422 176.300 0.122 0.000 1.100 62 R CA 1.526 57.683 56.100 0.095 0.000 0.980 62 R CB -0.359 29.989 30.300 0.079 0.000 0.875 62 R HN 0.441 nan 8.270 nan 0.000 0.445 63 W N 2.702 124.009 121.300 0.012 0.000 2.381 63 W HA -0.212 4.448 4.660 -0.000 0.000 0.301 63 W C 2.161 178.705 176.519 0.042 0.000 1.205 63 W CA 1.679 59.036 57.345 0.020 0.000 1.285 63 W CB 0.047 29.515 29.460 0.014 0.000 1.133 63 W HN 0.078 nan 8.180 nan 0.000 0.521 64 Q N -0.833 119.062 119.800 0.157 0.000 2.187 64 Q HA -0.180 4.160 4.340 -0.000 0.000 0.199 64 Q C 1.888 177.838 176.000 -0.084 0.000 0.957 64 Q CA 0.909 56.689 55.803 -0.040 0.000 0.857 64 Q CB -0.833 28.056 28.738 0.252 0.000 0.929 64 Q HN 0.293 nan 8.270 nan 0.000 0.453 65 Q N 1.277 121.049 119.800 -0.047 0.000 2.124 65 Q HA -0.170 4.170 4.340 -0.000 0.000 0.202 65 Q C 1.458 177.339 176.000 -0.198 0.000 0.977 65 Q CA 1.794 57.550 55.803 -0.077 0.000 0.850 65 Q CB -0.268 28.445 28.738 -0.042 0.000 0.901 65 Q HN 0.503 nan 8.270 nan 0.000 0.429 66 D N -0.360 119.878 120.400 -0.270 0.000 2.117 66 D HA -0.162 4.478 4.640 -0.000 0.000 0.198 66 D C 1.881 177.786 176.300 -0.659 0.000 0.982 66 D CA 1.226 54.965 54.000 -0.435 0.000 0.828 66 D CB -0.035 40.559 40.800 -0.345 0.000 0.967 66 D HN 0.347 nan 8.370 nan 0.000 0.464 67 H N -0.775 117.858 119.070 -0.728 0.000 2.357 67 H HA 0.042 4.598 4.556 -0.000 0.000 0.301 67 H C 2.010 177.060 175.328 -0.463 0.000 1.082 67 H CA 2.271 57.922 56.048 -0.662 0.000 1.342 67 H CB -0.495 28.671 29.762 -0.992 0.000 1.389 67 H HN 0.161 nan 8.280 nan 0.000 0.511 68 G N 0.537 109.075 108.800 -0.436 0.000 2.422 68 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.218 68 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.218 68 G C 1.722 176.391 174.900 -0.385 0.000 1.146 68 G CA 0.445 45.277 45.100 -0.446 0.000 0.769 68 G HN 0.304 nan 8.290 nan 0.000 0.547 69 R N -0.186 120.109 120.500 -0.342 0.000 2.075 69 R HA -0.043 4.297 4.340 -0.000 0.000 0.232 69 R C 2.201 178.371 176.300 -0.217 0.000 1.126 69 R CA 1.362 57.301 56.100 -0.268 0.000 0.963 69 R CB -0.789 29.346 30.300 -0.276 0.000 0.858 69 R HN 0.593 nan 8.270 nan 0.000 0.435 70 H N 0.099 119.015 119.070 -0.256 0.000 2.387 70 H HA -0.112 4.444 4.556 -0.000 0.000 0.299 70 H C 1.974 177.145 175.328 -0.261 0.000 1.090 70 H CA 0.797 56.705 56.048 -0.233 0.000 1.332 70 H CB 0.142 29.765 29.762 -0.232 0.000 1.386 70 H HN -0.026 nan 8.280 nan 0.000 0.516 71 L N 0.492 121.549 121.223 -0.276 0.000 1.994 71 L HA -0.198 4.142 4.340 -0.000 0.000 0.208 71 L C 2.222 178.982 176.870 -0.183 0.000 1.071 71 L CA 1.273 55.937 54.840 -0.293 0.000 0.745 71 L CB -0.623 41.131 42.059 -0.507 0.000 0.892 71 L HN 0.358 nan 8.230 nan 0.000 0.431 72 I N -0.358 120.105 120.570 -0.179 0.000 2.127 72 I HA -0.291 3.879 4.170 -0.000 0.000 0.241 72 I C 2.206 178.276 176.117 -0.078 0.000 1.075 72 I CA 1.349 62.581 61.300 -0.113 0.000 1.334 72 I CB -1.276 36.659 38.000 -0.109 0.000 1.040 72 I HN 0.283 nan 8.210 nan 0.000 0.405 73 D N 1.038 121.397 120.400 -0.068 0.000 2.116 73 D HA -0.211 4.428 4.640 -0.000 0.000 0.193 73 D C 1.844 178.120 176.300 -0.040 0.000 0.998 73 D CA 1.429 55.405 54.000 -0.040 0.000 0.836 73 D CB -0.333 40.459 40.800 -0.013 0.000 0.951 73 D HN 0.283 nan 8.370 nan 0.000 0.449 74 D N -0.095 120.275 120.400 -0.050 0.000 2.117 74 D HA -0.073 4.567 4.640 -0.000 0.000 0.197 74 D C 1.988 178.265 176.300 -0.039 0.000 0.987 74 D CA 1.401 55.373 54.000 -0.046 0.000 0.829 74 D CB -0.289 40.477 40.800 -0.057 0.000 0.961 74 D HN 0.153 nan 8.370 nan 0.000 0.460 75 A N 0.336 123.129 122.820 -0.046 0.000 1.898 75 A HA -0.095 4.225 4.320 -0.000 0.000 0.216 75 A C 2.382 179.952 177.584 -0.022 0.000 1.181 75 A CA 0.810 52.828 52.037 -0.031 0.000 0.620 75 A CB -0.724 18.255 19.000 -0.035 0.000 0.819 75 A HN 0.243 nan 8.150 nan 0.000 0.442 76 L N -0.849 120.358 121.223 -0.028 0.000 2.131 76 L HA -0.174 4.166 4.340 -0.000 0.000 0.210 76 L C 2.506 179.366 176.870 -0.018 0.000 1.092 76 L CA 1.163 55.990 54.840 -0.021 0.000 0.759 76 L CB -0.423 41.621 42.059 -0.025 0.000 0.903 76 L HN 0.232 nan 8.230 nan 0.000 0.435 77 K N -0.060 120.328 120.400 -0.020 0.000 2.148 77 K HA -0.055 4.265 4.320 -0.000 0.000 0.204 77 K C 2.040 178.632 176.600 -0.014 0.000 1.050 77 K CA 0.912 57.188 56.287 -0.017 0.000 0.942 77 K CB -0.202 32.287 32.500 -0.019 0.000 0.724 77 K HN 0.173 nan 8.250 nan 0.000 0.446 78 V N 0.749 120.656 119.914 -0.013 0.000 2.453 78 V HA -0.153 3.967 4.120 -0.000 0.000 0.247 78 V C 2.408 178.498 176.094 -0.007 0.000 1.048 78 V CA 0.976 63.272 62.300 -0.007 0.000 1.049 78 V CB -0.237 31.585 31.823 -0.002 0.000 0.672 78 V HN -0.055 nan 8.190 nan 0.000 0.457 79 V N 1.312 121.221 119.914 -0.008 0.000 2.332 79 V HA -0.280 3.840 4.120 -0.000 0.000 0.248 79 V C 2.540 178.622 176.094 -0.018 0.000 1.055 79 V CA 2.438 64.731 62.300 -0.010 0.000 1.038 79 V CB -0.641 31.178 31.823 -0.007 0.000 0.651 79 V HN 0.864 nan 8.190 nan 0.000 0.450 80 E N -0.469 119.721 120.200 -0.017 0.000 2.371 80 E HA -0.201 4.149 4.350 -0.000 0.000 0.194 80 E C 1.966 178.553 176.600 -0.022 0.000 1.012 80 E CA 0.726 57.114 56.400 -0.020 0.000 0.860 80 E CB -0.187 29.503 29.700 -0.016 0.000 0.811 80 E HN 0.658 nan 8.360 nan 0.000 0.502 81 Q N 0.347 120.136 119.800 -0.018 0.000 2.172 81 Q HA 0.037 4.377 4.340 -0.000 0.000 0.200 81 Q C 1.980 177.966 176.000 -0.024 0.000 0.964 81 Q CA 1.349 57.142 55.803 -0.017 0.000 0.855 81 Q CB 0.108 28.840 28.738 -0.010 0.000 0.918 81 Q HN 0.437 nan 8.270 nan 0.000 0.444 82 A N 0.122 122.925 122.820 -0.028 0.000 2.178 82 A HA 0.092 4.412 4.320 -0.000 0.000 0.211 82 A C 0.824 178.365 177.584 -0.072 0.000 1.157 82 A CA -0.077 51.935 52.037 -0.042 0.000 0.780 82 A CB 0.379 19.360 19.000 -0.032 0.000 0.828 82 A HN 0.076 nan 8.150 nan 0.000 0.476 83 S N 1.246 116.909 115.700 -0.063 0.000 2.465 83 S HA 0.221 4.691 4.470 -0.000 0.000 0.280 83 S C 0.987 175.535 174.600 -0.087 0.000 1.232 83 S CA -0.450 57.704 58.200 -0.076 0.000 1.066 83 S CB 0.751 63.919 63.200 -0.054 0.000 0.929 83 S HN 0.279 nan 8.310 nan 0.000 0.494 84 L N 3.804 124.951 121.223 -0.128 0.000 2.027 84 L HA 0.021 4.361 4.340 -0.000 0.000 0.206 84 L C 2.006 178.825 176.870 -0.085 0.000 1.074 84 L CA 1.964 56.719 54.840 -0.140 0.000 0.745 84 L CB -0.608 41.303 42.059 -0.248 0.000 0.898 84 L HN 0.535 nan 8.230 nan 0.000 0.433 85 R N -2.889 117.565 120.500 -0.076 0.000 2.076 85 R HA 0.478 4.818 4.340 -0.000 0.000 0.125 85 R C 1.421 177.698 176.300 -0.039 0.000 1.907 85 R CA 0.719 56.790 56.100 -0.048 0.000 1.623 85 R CB -0.497 29.777 30.300 -0.043 0.000 1.357 85 R HN 0.066 nan 8.270 nan 0.000 0.476 86 A N -0.045 122.753 122.820 -0.037 0.000 2.066 86 A HA 0.390 4.710 4.320 -0.000 0.000 0.198 86 A C 0.948 178.514 177.584 -0.030 0.000 1.405 86 A CA 0.462 52.482 52.037 -0.028 0.000 0.973 86 A CB -0.085 18.902 19.000 -0.021 0.000 1.026 86 A HN 0.384 nan 8.150 nan 0.000 0.474 87 G N 0.581 109.358 108.800 -0.037 0.000 2.594 87 G HA2 0.472 4.432 3.960 -0.000 0.000 0.243 87 G HA3 0.472 4.432 3.960 -0.000 0.000 0.243 87 G C -2.988 171.888 174.900 -0.040 0.000 1.229 87 G CA -0.711 44.367 45.100 -0.037 0.000 0.843 87 G HN 0.159 nan 8.290 nan 0.000 0.578 88 P HA 0.295 nan 4.420 nan 0.000 0.283 88 P C -1.883 175.409 177.300 -0.014 0.000 1.271 88 P CA -1.564 61.521 63.100 -0.025 0.000 0.841 88 P CB 1.466 33.155 31.700 -0.019 0.000 1.122 89 P HA -0.039 nan 4.420 nan 0.000 0.219 89 P C -0.222 177.076 177.300 -0.003 0.000 1.146 89 P CA 1.681 64.776 63.100 -0.008 0.000 0.808 89 P CB 0.188 31.883 31.700 -0.009 0.000 0.779 90 T N -0.803 113.752 114.554 0.002 0.000 3.032 90 T HA 0.419 4.769 4.350 -0.000 0.000 0.312 90 T C -1.186 173.534 174.700 0.032 0.000 1.078 90 T CA -0.447 61.660 62.100 0.011 0.000 1.028 90 T CB 2.041 70.907 68.868 -0.004 0.000 1.091 90 T HN -0.467 nan 8.240 nan 0.000 0.457 91 V N 3.625 123.571 119.914 0.053 0.000 2.531 91 V HA 0.633 4.753 4.120 -0.000 0.000 0.301 91 V C -0.967 175.205 176.094 0.130 0.000 1.034 91 V CA -0.689 61.653 62.300 0.070 0.000 0.865 91 V CB 1.682 33.526 31.823 0.034 0.000 0.995 91 V HN 0.962 nan 8.190 nan 0.000 0.424 92 H N 2.379 121.449 119.070 0.001 0.000 2.947 92 H HA 0.694 5.250 4.556 -0.000 0.000 0.354 92 H C -0.569 174.762 175.328 0.004 0.000 1.085 92 H CA -0.262 55.787 56.048 0.002 0.000 1.253 92 H CB 2.048 31.812 29.762 0.003 0.000 1.757 92 H HN 0.729 nan 8.280 nan 0.000 0.523 93 S N 3.806 119.233 115.700 -0.454 0.000 2.500 93 S HA 0.638 5.108 4.470 -0.000 0.000 0.301 93 S C -0.814 173.589 174.600 -0.328 0.000 1.092 93 S CA -1.040 56.998 58.200 -0.270 0.000 1.030 93 S CB 2.210 65.312 63.200 -0.164 0.000 1.031 93 S HN 0.671 nan 8.310 nan 0.000 0.483 94 E N 1.784 121.895 120.200 -0.149 0.000 2.248 94 E HA 0.473 4.823 4.350 -0.000 0.000 0.267 94 E C -1.157 175.427 176.600 -0.026 0.000 0.877 94 E CA -0.674 55.674 56.400 -0.088 0.000 0.759 94 E CB 2.229 31.914 29.700 -0.025 0.000 1.182 94 E HN 0.621 nan 8.360 nan 0.000 0.418 95 I N 2.840 123.400 120.570 -0.017 0.000 2.359 95 I HA 0.224 4.394 4.170 -0.000 0.000 0.284 95 I C -0.643 175.473 176.117 -0.000 0.000 1.018 95 I CA -0.851 60.459 61.300 0.017 0.000 1.173 95 I CB 1.283 39.299 38.000 0.027 0.000 1.326 95 I HN 0.154 nan 8.210 nan 0.000 0.462 96 V N 8.549 128.454 119.914 -0.015 0.000 2.407 96 V HA 0.265 4.385 4.120 -0.000 0.000 0.278 96 V C -1.818 174.258 176.094 -0.031 0.000 1.037 96 V CA -1.483 60.805 62.300 -0.020 0.000 0.900 96 V CB 1.322 33.134 31.823 -0.019 0.000 0.983 96 V HN 0.563 nan 8.190 nan 0.000 0.459 97 P HA 0.372 nan 4.420 nan 0.000 0.225 97 P C -0.353 176.939 177.300 -0.013 0.000 1.768 97 P CA 0.357 63.450 63.100 -0.010 0.000 0.943 97 P CB 0.456 32.158 31.700 0.002 0.000 1.936 98 A N 0.562 123.366 122.820 -0.026 0.000 2.567 98 A HA 0.771 5.091 4.320 -0.000 0.000 0.289 98 A C -0.831 176.732 177.584 -0.034 0.000 1.177 98 A CA -0.700 51.324 52.037 -0.022 0.000 0.694 98 A CB 0.832 19.823 19.000 -0.016 0.000 1.292 98 A HN 0.231 nan 8.150 nan 0.000 0.425 99 A N -0.483 122.322 122.820 -0.026 0.000 2.407 99 A HA 0.560 4.880 4.320 -0.000 0.000 0.248 99 A C 1.399 178.962 177.584 -0.034 0.000 1.082 99 A CA 0.512 52.532 52.037 -0.029 0.000 0.785 99 A CB -0.154 18.834 19.000 -0.019 0.000 1.020 99 A HN 2.233 nan 8.150 nan 0.000 0.489 100 A N 1.988 124.785 122.820 -0.038 0.000 1.851 100 A HA -0.034 4.286 4.320 -0.000 0.000 0.216 100 A C 2.027 179.602 177.584 -0.015 0.000 1.195 100 A CA 2.097 54.112 52.037 -0.035 0.000 0.622 100 A CB -1.183 17.798 19.000 -0.031 0.000 0.831 100 A HN 0.927 nan 8.150 nan 0.000 0.444 101 V N 0.742 120.650 119.914 -0.011 0.000 2.233 101 V HA -0.193 3.927 4.120 -0.000 0.000 0.247 101 V C -0.051 176.040 176.094 -0.006 0.000 1.050 101 V CA 2.658 64.955 62.300 -0.004 0.000 1.010 101 V CB -1.750 30.065 31.823 -0.014 0.000 0.637 101 V HN 0.403 nan 8.190 nan 0.000 0.444 102 P HA -0.111 nan 4.420 nan 0.000 0.216 102 P C 1.820 179.120 177.300 0.001 0.000 1.150 102 P CA 1.699 64.790 63.100 -0.013 0.000 0.837 102 P CB -0.220 31.468 31.700 -0.020 0.000 0.786 103 T N -0.205 114.346 114.554 -0.004 0.000 2.674 103 T HA -0.093 4.257 4.350 -0.000 0.000 0.265 103 T C 1.763 176.471 174.700 0.012 0.000 1.039 103 T CA 1.192 63.291 62.100 -0.001 0.000 1.150 103 T CB -0.923 67.937 68.868 -0.013 0.000 0.864 103 T HN 0.051 nan 8.240 nan 0.000 0.427 104 L N 0.615 121.848 121.223 0.016 0.000 2.109 104 L HA -0.037 4.303 4.340 -0.000 0.000 0.207 104 L C 2.679 179.582 176.870 0.054 0.000 1.086 104 L CA 0.654 55.513 54.840 0.031 0.000 0.760 104 L CB -0.639 41.436 42.059 0.027 0.000 0.910 104 L HN 0.123 nan 8.230 nan 0.000 0.437 105 V N 0.267 120.221 119.914 0.065 0.000 2.332 105 V HA -0.346 3.774 4.120 -0.000 0.000 0.248 105 V C 2.189 178.357 176.094 0.124 0.000 1.055 105 V CA 2.292 64.665 62.300 0.123 0.000 1.038 105 V CB -0.466 31.432 31.823 0.125 0.000 0.651 105 V HN 0.506 nan 8.190 nan 0.000 0.450 106 D N -0.584 119.848 120.400 0.054 0.000 2.117 106 D HA -0.175 4.465 4.640 -0.000 0.000 0.198 106 D C 2.137 178.437 176.300 -0.000 0.000 0.982 106 D CA 1.458 55.461 54.000 0.005 0.000 0.828 106 D CB -0.129 40.669 40.800 -0.004 0.000 0.967 106 D HN 0.368 nan 8.370 nan 0.000 0.464 107 M N -0.065 119.549 119.600 0.023 0.000 2.394 107 M HA -0.076 4.404 4.480 -0.000 0.000 0.264 107 M C 2.093 178.415 176.300 0.037 0.000 1.073 107 M CA 0.997 56.312 55.300 0.025 0.000 1.111 107 M CB -0.085 32.535 32.600 0.033 0.000 1.401 107 M HN 0.093 nan 8.290 nan 0.000 0.448 108 S N 0.379 116.116 115.700 0.062 0.000 2.469 108 S HA -0.092 4.378 4.470 -0.000 0.000 0.238 108 S C 1.581 176.232 174.600 0.085 0.000 0.998 108 S CA 0.743 58.996 58.200 0.088 0.000 0.957 108 S CB -0.453 62.825 63.200 0.130 0.000 0.764 108 S HN 0.472 nan 8.310 nan 0.000 0.514 109 K N 0.911 121.326 120.400 0.025 0.000 2.360 109 K HA 0.001 4.321 4.320 -0.000 0.000 0.201 109 K C 0.406 177.008 176.600 0.003 0.000 1.046 109 K CA 1.169 57.439 56.287 -0.029 0.000 0.945 109 K CB -0.064 32.352 32.500 -0.140 0.000 0.750 109 K HN 0.464 nan 8.250 nan 0.000 0.464 110 D N -0.374 120.036 120.400 0.016 0.000 2.599 110 D HA 0.152 4.792 4.640 -0.000 0.000 0.249 110 D C -0.700 175.619 176.300 0.032 0.000 1.313 110 D CA 0.074 54.085 54.000 0.019 0.000 0.815 110 D CB 0.975 41.781 40.800 0.009 0.000 1.077 110 D HN 0.072 nan 8.370 nan 0.000 0.492 111 A N 0.102 122.949 122.820 0.045 0.000 2.337 111 A HA 0.504 4.824 4.320 -0.000 0.000 0.331 111 A C 1.180 178.799 177.584 0.058 0.000 1.137 111 A CA -0.460 51.608 52.037 0.052 0.000 0.807 111 A CB 1.665 20.700 19.000 0.059 0.000 1.250 111 A HN -0.063 nan 8.150 nan 0.000 0.468 112 V N 1.058 121.007 119.914 0.059 0.000 2.379 112 V HA 0.112 4.232 4.120 -0.000 0.000 0.243 112 V C 0.538 176.678 176.094 0.076 0.000 1.035 112 V CA 1.296 63.635 62.300 0.065 0.000 1.035 112 V CB -0.591 31.269 31.823 0.062 0.000 0.673 112 V HN 0.624 nan 8.190 nan 0.000 0.457 113 L N -0.418 120.857 121.223 0.087 0.000 2.393 113 L HA 0.601 4.941 4.340 -0.000 0.000 0.260 113 L C -0.972 175.950 176.870 0.086 0.000 1.002 113 L CA -0.626 54.273 54.840 0.098 0.000 0.818 113 L CB 2.318 44.473 42.059 0.160 0.000 1.369 113 L HN 0.160 nan 8.230 nan 0.000 0.412 114 M N 2.790 122.427 119.600 0.060 0.000 2.134 114 M HA 0.536 5.016 4.480 -0.000 0.000 0.310 114 M C -1.714 174.594 176.300 0.012 0.000 0.966 114 M CA -0.338 54.987 55.300 0.043 0.000 0.922 114 M CB 1.458 34.077 32.600 0.033 0.000 1.537 114 M HN 0.175 nan 8.290 nan 0.000 0.424 115 V N 6.312 126.242 119.914 0.027 0.000 2.417 115 V HA 0.876 4.996 4.120 -0.000 0.000 0.291 115 V C -0.589 175.489 176.094 -0.026 0.000 1.024 115 V CA -0.614 61.676 62.300 -0.017 0.000 0.861 115 V CB 1.382 33.249 31.823 0.073 0.000 0.985 115 V HN 0.792 nan 8.190 nan 0.000 0.436 116 V N 1.632 121.499 119.914 -0.078 0.000 3.114 116 V HA 0.997 5.117 4.120 -0.000 0.000 0.308 116 V C 0.332 176.359 176.094 -0.111 0.000 1.168 116 V CA -0.485 61.778 62.300 -0.063 0.000 1.015 116 V CB 1.548 33.344 31.823 -0.044 0.000 1.050 116 V HN 0.911 nan 8.190 nan 0.000 0.433 117 G N -0.687 108.064 108.800 -0.082 0.000 2.634 117 G HA2 0.340 4.300 3.960 -0.000 0.000 0.255 117 G HA3 0.340 4.300 3.960 -0.000 0.000 0.255 117 G C 0.825 175.647 174.900 -0.130 0.000 1.205 117 G CA 0.373 45.408 45.100 -0.109 0.000 0.884 117 G HN 1.205 nan 8.290 nan 0.000 0.549 118 C N -0.315 118.885 119.300 -0.166 0.000 2.500 118 C HA 0.334 4.794 4.460 -0.000 0.000 0.279 118 C C 1.033 175.989 174.990 -0.058 0.000 1.288 118 C CA 0.184 59.120 59.018 -0.136 0.000 1.710 118 C CB -1.291 26.374 27.740 -0.124 0.000 2.052 118 C HN 0.455 nan 8.230 nan 0.000 0.488 119 L N -0.394 120.810 121.223 -0.033 0.000 2.341 119 L HA 0.635 4.975 4.340 -0.000 0.000 0.267 119 L C 0.577 177.451 176.870 0.007 0.000 1.009 119 L CA -0.105 54.727 54.840 -0.012 0.000 0.819 119 L CB 1.712 43.766 42.059 -0.008 0.000 1.323 119 L HN 0.336 nan 8.230 nan 0.000 0.425 120 G N -0.582 108.233 108.800 0.026 0.000 2.990 120 G HA2 0.307 4.267 3.960 -0.000 0.000 0.208 120 G HA3 0.307 4.267 3.960 -0.000 0.000 0.208 120 G C 0.725 175.667 174.900 0.070 0.000 1.334 120 G CA 0.361 45.490 45.100 0.048 0.000 1.024 120 G HN 0.618 nan 8.290 nan 0.000 0.574 121 S N -1.349 114.405 115.700 0.090 0.000 2.481 121 S HA 0.061 4.531 4.470 -0.000 0.000 0.231 121 S C 1.949 176.615 174.600 0.109 0.000 0.996 121 S CA 1.220 59.481 58.200 0.102 0.000 0.942 121 S CB -0.047 63.227 63.200 0.124 0.000 0.768 121 S HN 0.893 nan 8.310 nan 0.000 0.520 122 G N 2.152 111.022 108.800 0.116 0.000 3.141 122 G HA2 0.117 4.077 3.960 -0.000 0.000 0.218 122 G HA3 0.117 4.077 3.960 -0.000 0.000 0.218 122 G C 0.503 175.543 174.900 0.233 0.000 1.170 122 G CA -0.716 44.475 45.100 0.152 0.000 0.769 122 G HN 0.674 nan 8.290 nan 0.000 0.546 123 R N 0.281 120.880 120.500 0.165 0.000 2.679 123 R HA 0.242 4.582 4.340 -0.000 0.000 0.268 123 R C -0.460 176.007 176.300 0.278 0.000 1.044 123 R CA -0.125 56.054 56.100 0.133 0.000 1.105 123 R CB 0.322 30.654 30.300 0.055 0.000 0.989 123 R HN 0.301 nan 8.270 nan 0.000 0.447 124 W N 0.332 121.637 121.300 0.009 0.000 3.137 124 W HA 0.403 5.063 4.660 -0.000 0.000 0.324 124 W C -3.036 173.486 176.519 0.005 0.000 1.253 124 W CA -3.164 54.185 57.345 0.006 0.000 1.183 124 W CB -0.731 28.731 29.460 0.003 0.000 1.424 124 W HN 0.389 nan 8.180 nan 0.000 0.566 125 P HA 0.240 nan 4.420 nan 0.000 0.261 125 P C 0.849 178.083 177.300 -0.110 0.000 1.183 125 P CA 2.507 65.629 63.100 0.036 0.000 0.761 125 P CB 0.380 32.146 31.700 0.111 0.000 0.785 126 G N 2.963 111.658 108.800 -0.174 0.000 2.491 126 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.203 126 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.203 126 G C 0.135 174.856 174.900 -0.297 0.000 1.052 126 G CA -0.635 44.328 45.100 -0.228 0.000 0.675 126 G HN 0.554 nan 8.290 nan 0.000 0.504 127 R N 0.729 120.955 120.500 -0.456 0.000 2.491 127 R HA 0.508 4.848 4.340 -0.000 0.000 0.283 127 R C 0.839 177.011 176.300 -0.213 0.000 1.072 127 R CA -0.291 55.578 56.100 -0.385 0.000 1.048 127 R CB 0.753 30.734 30.300 -0.531 0.000 0.983 127 R HN 0.172 nan 8.270 nan 0.000 0.450 128 L N 2.445 123.579 121.223 -0.148 0.000 2.537 128 L HA 0.262 4.602 4.340 -0.000 0.000 0.224 128 L C -0.057 176.779 176.870 -0.058 0.000 1.065 128 L CA 0.562 55.351 54.840 -0.084 0.000 0.860 128 L CB -0.388 41.631 42.059 -0.067 0.000 1.086 128 L HN 0.447 nan 8.230 nan 0.000 0.482 129 L N -1.072 120.108 121.223 -0.073 0.000 2.431 129 L HA 0.710 5.050 4.340 -0.000 0.000 0.266 129 L C 0.216 177.054 176.870 -0.053 0.000 0.978 129 L CA -0.253 54.556 54.840 -0.052 0.000 0.822 129 L CB 1.832 43.867 42.059 -0.042 0.000 1.310 129 L HN 0.035 nan 8.230 nan 0.000 0.409 130 G N 0.355 109.133 108.800 -0.036 0.000 2.528 130 G HA2 0.385 4.345 3.960 -0.000 0.000 0.289 130 G HA3 0.385 4.345 3.960 -0.000 0.000 0.289 130 G C 0.784 175.680 174.900 -0.005 0.000 1.192 130 G CA 0.253 45.343 45.100 -0.017 0.000 0.921 130 G HN 0.796 nan 8.290 nan 0.000 0.512 131 S N -0.910 114.796 115.700 0.011 0.000 2.423 131 S HA -0.121 4.349 4.470 -0.000 0.000 0.231 131 S C 2.077 176.686 174.600 0.016 0.000 1.014 131 S CA 1.370 59.580 58.200 0.016 0.000 0.965 131 S CB -0.158 63.057 63.200 0.024 0.000 0.785 131 S HN 0.252 nan 8.310 nan 0.000 0.495 132 V N 2.714 122.635 119.914 0.012 0.000 2.302 132 V HA -0.097 4.023 4.120 -0.000 0.000 0.243 132 V C 3.123 179.219 176.094 0.004 0.000 1.036 132 V CA 1.737 64.043 62.300 0.010 0.000 1.020 132 V CB -1.091 30.738 31.823 0.010 0.000 0.657 132 V HN 0.766 nan 8.190 nan 0.000 0.453 133 S N 0.076 115.769 115.700 -0.011 0.000 2.370 133 S HA -0.258 4.212 4.470 -0.000 0.000 0.226 133 S C 2.195 176.783 174.600 -0.021 0.000 1.033 133 S CA 1.887 60.069 58.200 -0.030 0.000 1.011 133 S CB -0.820 62.348 63.200 -0.053 0.000 0.852 133 S HN 0.518 nan 8.310 nan 0.000 0.457 134 S N 2.048 117.742 115.700 -0.011 0.000 2.359 134 S HA -0.022 4.448 4.470 -0.000 0.000 0.224 134 S C 2.100 176.717 174.600 0.029 0.000 1.035 134 S CA 1.584 59.783 58.200 -0.001 0.000 1.018 134 S CB -1.379 61.823 63.200 0.003 0.000 0.876 134 S HN 0.732 nan 8.310 nan 0.000 0.448 135 G N 0.945 109.778 108.800 0.055 0.000 2.422 135 G HA2 -0.063 3.897 3.960 -0.000 0.000 0.218 135 G HA3 -0.063 3.897 3.960 -0.000 0.000 0.218 135 G C 1.365 176.352 174.900 0.144 0.000 1.140 135 G CA 0.790 45.966 45.100 0.127 0.000 0.775 135 G HN 0.467 nan 8.290 nan 0.000 0.545 136 L N 0.011 121.271 121.223 0.061 0.000 2.072 136 L HA 0.177 4.517 4.340 -0.000 0.000 0.205 136 L C 2.608 179.481 176.870 0.006 0.000 1.079 136 L CA 0.782 55.647 54.840 0.041 0.000 0.752 136 L CB -0.725 41.342 42.059 0.012 0.000 0.906 136 L HN 0.065 nan 8.230 nan 0.000 0.436 137 L N -0.826 120.386 121.223 -0.019 0.000 2.127 137 L HA -0.193 4.147 4.340 -0.000 0.000 0.211 137 L C 2.524 179.337 176.870 -0.094 0.000 1.089 137 L CA 1.660 56.467 54.840 -0.055 0.000 0.757 137 L CB -0.717 41.309 42.059 -0.055 0.000 0.899 137 L HN 0.246 nan 8.230 nan 0.000 0.434 138 R N -2.882 117.552 120.500 -0.110 0.000 2.254 138 R HA 0.090 4.430 4.340 -0.000 0.000 0.193 138 R C 1.276 177.253 176.300 -0.538 0.000 0.929 138 R CA 0.331 56.247 56.100 -0.306 0.000 1.038 138 R CB 0.172 30.271 30.300 -0.335 0.000 1.009 138 R HN 0.413 nan 8.270 nan 0.000 0.512 139 H N -1.269 117.761 119.070 -0.067 0.000 2.986 139 H HA 0.395 4.951 4.556 -0.000 0.000 0.267 139 H C -0.023 175.207 175.328 -0.163 0.000 1.072 139 H CA 0.056 56.048 56.048 -0.094 0.000 1.202 139 H CB 0.858 30.599 29.762 -0.035 0.000 1.535 139 H HN 0.087 nan 8.280 nan 0.000 0.522 140 A N 0.256 123.054 122.820 -0.038 0.000 2.406 140 A HA 0.104 4.423 4.320 -0.000 0.000 0.243 140 A C -0.200 177.301 177.584 -0.138 0.000 1.082 140 A CA -0.062 51.968 52.037 -0.012 0.000 0.786 140 A CB 0.182 19.188 19.000 0.010 0.000 1.029 140 A HN 0.555 nan 8.150 nan 0.000 0.495 141 H N -1.063 118.027 119.070 0.033 0.000 2.487 141 H HA 0.340 4.895 4.556 -0.000 0.000 0.290 141 H C 0.095 175.438 175.328 0.025 0.000 1.081 141 H CA 0.534 56.599 56.048 0.028 0.000 1.116 141 H CB 0.202 29.982 29.762 0.030 0.000 1.560 141 H HN 0.865 nan 8.280 nan 0.000 0.548 142 C N -3.582 115.769 119.300 0.085 0.000 3.321 142 C HA 0.548 5.008 4.460 -0.000 0.000 0.329 142 C C -2.896 172.111 174.990 0.030 0.000 1.394 142 C CA -2.440 56.615 59.018 0.062 0.000 1.291 142 C CB 1.793 29.578 27.740 0.075 0.000 1.606 142 C HN -0.025 nan 8.230 nan 0.000 0.463 143 P HA 0.314 nan 4.420 nan 0.000 0.267 143 P C -0.769 176.529 177.300 -0.003 0.000 1.200 143 P CA 0.110 63.215 63.100 0.008 0.000 0.772 143 P CB 0.401 32.114 31.700 0.021 0.000 0.855 144 V N 3.906 123.799 119.914 -0.034 0.000 2.448 144 V HA 0.247 4.367 4.120 -0.000 0.000 0.295 144 V C 0.027 176.053 176.094 -0.113 0.000 1.025 144 V CA -0.661 61.605 62.300 -0.057 0.000 0.859 144 V CB 2.052 33.842 31.823 -0.056 0.000 0.988 144 V HN 0.203 nan 8.190 nan 0.000 0.431 145 V N 5.830 125.646 119.914 -0.164 0.000 2.370 145 V HA 0.450 4.570 4.120 -0.000 0.000 0.279 145 V C -0.095 175.806 176.094 -0.322 0.000 1.029 145 V CA -0.518 61.590 62.300 -0.321 0.000 0.870 145 V CB 1.480 32.965 31.823 -0.563 0.000 0.984 145 V HN 0.565 nan 8.190 nan 0.000 0.451 146 I N 6.111 126.479 120.570 -0.336 0.000 2.312 146 I HA 0.420 4.590 4.170 -0.000 0.000 0.290 146 I C -0.234 175.567 176.117 -0.527 0.000 1.008 146 I CA -0.438 60.644 61.300 -0.363 0.000 1.226 146 I CB 1.349 39.167 38.000 -0.303 0.000 1.371 146 I HN 0.420 nan 8.210 nan 0.000 0.468 147 I N 6.640 126.921 120.570 -0.481 0.000 2.392 147 I HA 0.280 4.450 4.170 -0.000 0.000 0.295 147 I C 0.460 176.292 176.117 -0.476 0.000 0.985 147 I CA -0.277 60.760 61.300 -0.437 0.000 1.221 147 I CB 0.825 38.677 38.000 -0.246 0.000 1.366 147 I HN 0.357 nan 8.210 nan 0.000 0.467 148 H N 4.841 123.863 119.070 -0.080 0.000 2.479 148 H HA 0.229 4.785 4.556 -0.000 0.000 0.335 148 H C 0.204 175.515 175.328 -0.028 0.000 1.142 148 H CA -0.508 55.509 56.048 -0.051 0.000 1.234 148 H CB 1.401 31.132 29.762 -0.052 0.000 1.503 148 H HN 0.646 nan 8.280 nan 0.000 0.510 149 D N 0.852 121.306 120.400 0.090 0.000 2.309 149 D HA -0.149 4.490 4.640 -0.000 0.000 0.212 149 D C 0.496 176.829 176.300 0.056 0.000 0.968 149 D CA 0.907 54.940 54.000 0.054 0.000 0.882 149 D CB 0.105 40.929 40.800 0.040 0.000 0.918 149 D HN 0.598 nan 8.370 nan 0.000 0.503 150 E N 0.278 120.517 120.200 0.066 0.000 2.476 150 E HA 0.032 4.382 4.350 -0.000 0.000 0.196 150 E C -0.521 176.109 176.600 0.049 0.000 1.029 150 E CA -0.387 56.039 56.400 0.043 0.000 0.896 150 E CB 0.385 30.097 29.700 0.019 0.000 1.012 150 E HN 0.175 nan 8.360 nan 0.000 0.475 151 D N 1.439 121.886 120.400 0.077 0.000 2.401 151 D HA -0.040 4.600 4.640 -0.000 0.000 0.254 151 D C -0.151 176.196 176.300 0.078 0.000 1.192 151 D CA 0.314 54.363 54.000 0.082 0.000 0.885 151 D CB 1.150 42.009 40.800 0.098 0.000 1.147 151 D HN -0.096 nan 8.370 nan 0.000 0.478 152 S N 2.277 118.019 115.700 0.070 0.000 2.466 152 S HA 0.135 4.605 4.470 -0.000 0.000 0.286 152 S C 0.777 175.440 174.600 0.105 0.000 1.221 152 S CA -0.531 57.712 58.200 0.071 0.000 1.091 152 S CB 0.205 63.437 63.200 0.052 0.000 0.956 152 S HN 0.259 nan 8.310 nan 0.000 0.501 153 V N 6.372 126.351 119.914 0.109 0.000 3.250 153 V HA 0.067 4.186 4.120 -0.000 0.000 0.240 153 V C 1.999 178.145 176.094 0.086 0.000 1.275 153 V CA 0.168 62.551 62.300 0.139 0.000 1.206 153 V CB 0.026 31.963 31.823 0.190 0.000 0.976 153 V HN 0.731 nan 8.190 nan 0.000 0.467 154 M N 0.275 119.915 119.600 0.067 0.000 2.156 154 M HA 0.110 4.590 4.480 -0.000 0.000 0.264 154 M C -1.195 175.143 176.300 0.064 0.000 1.067 154 M CA 0.873 56.202 55.300 0.048 0.000 1.131 154 M CB -2.114 30.509 32.600 0.037 0.000 1.368 154 M HN 0.195 nan 8.290 nan 0.000 0.416 155 P HA -0.037 nan 4.420 nan 0.000 0.261 155 P C -0.440 176.933 177.300 0.122 0.000 1.183 155 P CA 0.964 64.107 63.100 0.071 0.000 0.761 155 P CB 0.123 31.850 31.700 0.046 0.000 0.785 156 H N 2.990 122.057 119.070 -0.005 0.000 3.029 156 H HA 0.306 4.862 4.556 -0.000 0.000 0.358 156 H C -2.484 172.838 175.328 -0.009 0.000 1.129 156 H CA -1.584 54.458 56.048 -0.011 0.000 1.230 156 H CB 1.952 31.703 29.762 -0.019 0.000 1.827 156 H HN 0.318 nan 8.280 nan 0.000 0.530 157 P HA 0.181 nan 4.420 nan 0.000 0.282 157 P C -0.726 176.390 177.300 -0.308 0.000 1.262 157 P CA -0.472 62.082 63.100 -0.910 0.000 0.773 157 P CB 1.483 32.785 31.700 -0.664 0.000 0.879 158 Q N 1.675 121.381 119.800 -0.156 0.000 2.296 158 Q HA 0.127 4.467 4.340 -0.000 0.000 0.257 158 Q C 0.402 176.374 176.000 -0.047 0.000 0.942 158 Q CA -0.168 55.607 55.803 -0.046 0.000 0.939 158 Q CB 0.899 29.653 28.738 0.026 0.000 1.198 158 Q HN 0.409 nan 8.270 nan 0.000 0.429 159 Q N 1.840 121.613 119.800 -0.044 0.000 2.247 159 Q HA 0.274 4.614 4.340 -0.000 0.000 0.211 159 Q C -0.172 175.813 176.000 -0.026 0.000 0.861 159 Q CA -0.275 55.505 55.803 -0.040 0.000 0.949 159 Q CB 1.085 29.795 28.738 -0.046 0.000 1.115 159 Q HN 0.670 nan 8.270 nan 0.000 0.507 160 A N 3.441 126.251 122.820 -0.017 0.000 2.531 160 A HA 0.201 4.521 4.320 -0.000 0.000 0.236 160 A C -2.044 175.528 177.584 -0.020 0.000 1.062 160 A CA -0.827 51.201 52.037 -0.014 0.000 0.760 160 A CB -0.188 18.810 19.000 -0.004 0.000 0.995 160 A HN 0.006 nan 8.150 nan 0.000 0.501 161 P HA 0.225 nan 4.420 nan 0.000 0.274 161 P C -0.601 176.667 177.300 -0.054 0.000 1.260 161 P CA -0.248 62.822 63.100 -0.050 0.000 0.793 161 P CB 0.488 32.154 31.700 -0.056 0.000 1.048 162 V N 1.533 121.393 119.914 -0.090 0.000 2.383 162 V HA 0.157 4.277 4.120 -0.000 0.000 0.275 162 V C 0.491 176.513 176.094 -0.120 0.000 1.036 162 V CA -0.492 61.749 62.300 -0.097 0.000 0.889 162 V CB 0.715 32.456 31.823 -0.137 0.000 0.985 162 V HN 0.363 nan 8.190 nan 0.000 0.459 163 L N 6.881 128.053 121.223 -0.085 0.000 2.289 163 L HA 0.746 5.086 4.340 -0.000 0.000 0.285 163 L C -0.457 176.361 176.870 -0.087 0.000 1.049 163 L CA 0.201 54.993 54.840 -0.080 0.000 0.804 163 L CB 1.590 43.618 42.059 -0.052 0.000 1.195 163 L HN 0.479 nan 8.230 nan 0.000 0.428 164 V N 4.954 124.812 119.914 -0.094 0.000 2.638 164 V HA 0.828 4.948 4.120 -0.000 0.000 0.306 164 V C 0.069 176.138 176.094 -0.041 0.000 1.052 164 V CA -0.088 62.163 62.300 -0.082 0.000 0.885 164 V CB 1.841 33.588 31.823 -0.126 0.000 0.999 164 V HN 0.929 nan 8.190 nan 0.000 0.424 165 G N 5.468 114.252 108.800 -0.026 0.000 2.320 165 G HA2 0.560 4.520 3.960 -0.000 0.000 0.300 165 G HA3 0.560 4.520 3.960 -0.000 0.000 0.300 165 G C -0.890 174.027 174.900 0.028 0.000 1.126 165 G CA -0.288 44.813 45.100 0.002 0.000 0.896 165 G HN 0.883 nan 8.290 nan 0.000 0.436 166 V N 2.867 122.831 119.914 0.083 0.000 2.513 166 V HA 0.419 4.539 4.120 -0.000 0.000 0.299 166 V C -0.001 176.233 176.094 0.232 0.000 1.035 166 V CA -0.561 61.812 62.300 0.121 0.000 0.889 166 V CB 1.944 33.837 31.823 0.118 0.000 0.988 166 V HN 0.884 nan 8.190 nan 0.000 0.440 167 D N 1.580 122.092 120.400 0.187 0.000 2.525 167 D HA 0.236 4.876 4.640 -0.000 0.000 0.231 167 D C 1.143 177.543 176.300 0.167 0.000 1.216 167 D CA 0.672 54.818 54.000 0.243 0.000 0.813 167 D CB 0.938 41.806 40.800 0.112 0.000 1.108 167 D HN 0.951 nan 8.370 nan 0.000 0.524 168 G N 0.796 109.665 108.800 0.114 0.000 2.258 168 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.233 168 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.233 168 G C 0.529 175.472 174.900 0.071 0.000 1.006 168 G CA 0.406 45.555 45.100 0.082 0.000 0.620 168 G HN 0.927 nan 8.290 nan 0.000 0.511 169 S N 0.645 116.383 115.700 0.063 0.000 2.589 169 S HA 0.515 4.985 4.470 -0.000 0.000 0.265 169 S C 1.852 176.482 174.600 0.051 0.000 1.342 169 S CA 0.964 59.192 58.200 0.045 0.000 1.005 169 S CB 1.481 64.697 63.200 0.027 0.000 0.909 169 S HN 1.728 nan 8.310 nan 0.000 0.555 170 S N 1.091 116.816 115.700 0.042 0.000 2.402 170 S HA -0.054 4.416 4.470 -0.000 0.000 0.229 170 S C 1.934 176.562 174.600 0.047 0.000 1.021 170 S CA 0.657 58.887 58.200 0.050 0.000 0.974 170 S CB -1.158 62.065 63.200 0.039 0.000 0.800 170 S HN 1.108 nan 8.310 nan 0.000 0.484 171 A N 1.251 124.087 122.820 0.027 0.000 1.969 171 A HA 0.069 4.389 4.320 -0.000 0.000 0.218 171 A C 2.412 180.009 177.584 0.022 0.000 1.169 171 A CA 1.598 53.645 52.037 0.016 0.000 0.635 171 A CB -1.253 17.743 19.000 -0.007 0.000 0.810 171 A HN 0.584 nan 8.150 nan 0.000 0.445 172 S N -0.668 115.050 115.700 0.030 0.000 2.402 172 S HA -0.167 4.303 4.470 -0.000 0.000 0.229 172 S C 1.981 176.610 174.600 0.049 0.000 1.021 172 S CA 1.654 59.875 58.200 0.034 0.000 0.974 172 S CB -0.256 62.973 63.200 0.049 0.000 0.800 172 S HN 0.618 nan 8.310 nan 0.000 0.484 173 E N 1.226 121.475 120.200 0.083 0.000 2.110 173 E HA -0.058 4.292 4.350 -0.000 0.000 0.193 173 E C 1.935 178.609 176.600 0.123 0.000 0.988 173 E CA 1.076 57.560 56.400 0.141 0.000 0.804 173 E CB -0.510 29.294 29.700 0.172 0.000 0.745 173 E HN 0.516 nan 8.360 nan 0.000 0.458 174 L N -0.341 120.934 121.223 0.087 0.000 2.017 174 L HA -0.153 4.187 4.340 -0.000 0.000 0.208 174 L C 2.291 179.173 176.870 0.020 0.000 1.073 174 L CA 1.404 56.287 54.840 0.070 0.000 0.745 174 L CB -0.592 41.499 42.059 0.053 0.000 0.894 174 L HN 0.314 nan 8.230 nan 0.000 0.432 175 A N -0.602 122.217 122.820 -0.001 0.000 1.892 175 A HA -0.263 4.057 4.320 -0.000 0.000 0.218 175 A C 2.206 179.740 177.584 -0.084 0.000 1.188 175 A CA 2.565 54.581 52.037 -0.033 0.000 0.631 175 A CB -1.103 17.879 19.000 -0.029 0.000 0.822 175 A HN 0.482 nan 8.150 nan 0.000 0.447 176 T N 0.321 114.806 114.554 -0.116 0.000 2.684 176 T HA -0.084 4.266 4.350 -0.000 0.000 0.267 176 T C 2.225 176.665 174.700 -0.434 0.000 1.036 176 T CA 1.848 63.789 62.100 -0.265 0.000 1.148 176 T CB -0.588 68.073 68.868 -0.346 0.000 0.863 176 T HN 0.660 nan 8.240 nan 0.000 0.436 177 A N 2.082 124.676 122.820 -0.376 0.000 1.873 177 A HA -0.118 4.202 4.320 -0.000 0.000 0.218 177 A C 2.326 179.865 177.584 -0.076 0.000 1.193 177 A CA 1.930 53.823 52.037 -0.240 0.000 0.629 177 A CB -0.871 18.226 19.000 0.160 0.000 0.826 177 A HN 0.708 nan 8.150 nan 0.000 0.447 178 I N -2.432 118.115 120.570 -0.039 0.000 2.439 178 I HA -0.019 4.151 4.170 -0.000 0.000 0.251 178 I C 2.559 178.637 176.117 -0.065 0.000 1.139 178 I CA 1.170 62.463 61.300 -0.011 0.000 1.438 178 I CB -0.943 37.068 38.000 0.019 0.000 1.085 178 I HN 0.224 nan 8.210 nan 0.000 0.427 179 A N 1.833 124.578 122.820 -0.124 0.000 1.883 179 A HA -0.181 4.139 4.320 -0.000 0.000 0.217 179 A C 2.085 179.482 177.584 -0.313 0.000 1.186 179 A CA 1.733 53.648 52.037 -0.203 0.000 0.624 179 A CB -1.111 17.737 19.000 -0.253 0.000 0.822 179 A HN 0.430 nan 8.150 nan 0.000 0.444 180 F N -0.153 119.554 119.950 -0.405 0.000 2.163 180 F HA -0.094 4.433 4.527 -0.000 0.000 0.297 180 F C 2.166 177.559 175.800 -0.678 0.000 1.094 180 F CA 1.649 59.292 58.000 -0.596 0.000 1.290 180 F CB -0.318 38.228 39.000 -0.757 0.000 1.017 180 F HN 0.326 nan 8.300 nan 0.000 0.483 181 D N 0.197 120.463 120.400 -0.224 0.000 2.104 181 D HA -0.230 4.410 4.640 -0.000 0.000 0.194 181 D C 2.066 178.330 176.300 -0.060 0.000 0.994 181 D CA 1.480 55.441 54.000 -0.065 0.000 0.830 181 D CB -0.103 40.744 40.800 0.080 0.000 0.959 181 D HN 0.138 nan 8.370 nan 0.000 0.452 182 E N -0.272 119.889 120.200 -0.065 0.000 2.077 182 E HA -0.039 4.311 4.350 -0.000 0.000 0.193 182 E C 1.900 178.458 176.600 -0.070 0.000 0.989 182 E CA 1.455 57.832 56.400 -0.038 0.000 0.800 182 E CB -0.560 29.139 29.700 -0.001 0.000 0.746 182 E HN 0.309 nan 8.360 nan 0.000 0.452 183 A N -0.196 122.538 122.820 -0.143 0.000 1.930 183 A HA -0.151 4.169 4.320 -0.000 0.000 0.217 183 A C 2.381 179.910 177.584 -0.091 0.000 1.175 183 A CA 1.853 53.803 52.037 -0.145 0.000 0.627 183 A CB -0.959 17.886 19.000 -0.259 0.000 0.815 183 A HN 0.316 nan 8.150 nan 0.000 0.443 184 S N -0.333 115.306 115.700 -0.102 0.000 2.353 184 S HA -0.210 4.260 4.470 -0.000 0.000 0.222 184 S C 2.189 176.818 174.600 0.049 0.000 1.035 184 S CA 1.618 59.829 58.200 0.019 0.000 1.025 184 S CB -0.338 62.920 63.200 0.096 0.000 0.902 184 S HN 0.624 nan 8.310 nan 0.000 0.440 185 R N 0.166 120.685 120.500 0.032 0.000 2.115 185 R HA 0.102 4.442 4.340 -0.000 0.000 0.230 185 R C 2.410 178.718 176.300 0.013 0.000 1.111 185 R CA 1.210 57.328 56.100 0.030 0.000 0.976 185 R CB -0.188 30.121 30.300 0.015 0.000 0.870 185 R HN 0.374 nan 8.270 nan 0.000 0.445 186 R N 0.420 120.919 120.500 -0.001 0.000 2.310 186 R HA 0.093 4.433 4.340 -0.000 0.000 0.202 186 R C 0.111 176.419 176.300 0.014 0.000 0.933 186 R CA -0.060 56.043 56.100 0.005 0.000 1.054 186 R CB 0.029 30.325 30.300 -0.007 0.000 0.985 186 R HN 0.201 nan 8.270 nan 0.000 0.489 187 N N 0.621 119.329 118.700 0.015 0.000 2.740 187 N HA -0.139 4.601 4.740 -0.000 0.000 0.248 187 N C -0.570 174.940 175.510 -0.001 0.000 1.062 187 N CA 1.240 54.299 53.050 0.016 0.000 0.704 187 N CB -0.900 37.600 38.487 0.022 0.000 0.968 187 N HN 0.159 nan 8.380 nan 0.000 0.547 188 V N -3.917 115.988 119.914 -0.016 0.000 3.164 188 V HA 0.681 4.801 4.120 -0.000 0.000 0.313 188 V C 0.378 176.445 176.094 -0.046 0.000 1.188 188 V CA -0.949 61.334 62.300 -0.029 0.000 1.058 188 V CB 2.189 33.992 31.823 -0.033 0.000 1.110 188 V HN -0.143 nan 8.190 nan 0.000 0.453 189 D N 0.277 120.645 120.400 -0.053 0.000 2.432 189 D HA 0.645 5.285 4.640 -0.000 0.000 0.258 189 D C -0.819 175.404 176.300 -0.128 0.000 1.146 189 D CA -0.122 53.837 54.000 -0.070 0.000 1.015 189 D CB 2.146 42.921 40.800 -0.042 0.000 1.107 189 D HN 0.723 nan 8.370 nan 0.000 0.529 190 L N 0.208 121.331 121.223 -0.167 0.000 2.385 190 L HA 0.440 4.780 4.340 -0.000 0.000 0.273 190 L C -1.505 175.261 176.870 -0.174 0.000 0.990 190 L CA -0.661 54.023 54.840 -0.260 0.000 0.821 190 L CB 1.797 43.526 42.059 -0.549 0.000 1.279 190 L HN 0.025 nan 8.230 nan 0.000 0.412 191 V N 4.646 124.473 119.914 -0.145 0.000 2.334 191 V HA 0.614 4.734 4.120 -0.000 0.000 0.281 191 V C 0.256 176.300 176.094 -0.082 0.000 1.016 191 V CA -0.437 61.813 62.300 -0.083 0.000 0.832 191 V CB 1.303 33.095 31.823 -0.053 0.000 0.999 191 V HN 0.835 nan 8.190 nan 0.000 0.439 192 A N 6.248 129.040 122.820 -0.046 0.000 2.252 192 A HA 0.776 5.096 4.320 -0.000 0.000 0.309 192 A C -0.697 176.910 177.584 0.039 0.000 1.285 192 A CA -0.330 51.700 52.037 -0.010 0.000 0.900 192 A CB 0.549 19.566 19.000 0.027 0.000 1.157 192 A HN 0.905 nan 8.150 nan 0.000 0.536 193 L N 3.881 125.130 121.223 0.044 0.000 2.322 193 L HA 0.550 4.890 4.340 -0.000 0.000 0.281 193 L C -0.527 176.424 176.870 0.136 0.000 1.014 193 L CA -0.511 54.375 54.840 0.076 0.000 0.815 193 L CB 1.275 43.355 42.059 0.034 0.000 1.247 193 L HN 0.841 nan 8.230 nan 0.000 0.421 194 H N 4.647 123.758 119.070 0.069 0.000 2.589 194 H HA 0.605 5.161 4.556 -0.000 0.000 0.351 194 H C -1.468 173.934 175.328 0.125 0.000 1.074 194 H CA -0.650 55.452 56.048 0.089 0.000 1.203 194 H CB 2.073 31.901 29.762 0.109 0.000 1.558 194 H HN 0.822 nan 8.280 nan 0.000 0.522 195 A N 4.328 126.862 122.820 -0.475 0.000 2.274 195 A HA 0.089 4.409 4.320 -0.000 0.000 0.309 195 A C 0.568 177.844 177.584 -0.514 0.000 1.226 195 A CA -0.750 51.097 52.037 -0.317 0.000 0.853 195 A CB 0.064 18.936 19.000 -0.213 0.000 1.146 195 A HN 0.965 nan 8.150 nan 0.000 0.518 196 W N 3.460 124.662 121.300 -0.165 0.000 2.335 196 W HA -0.065 4.594 4.660 -0.000 0.000 0.311 196 W C 0.881 177.409 176.519 0.015 0.000 1.213 196 W CA 1.898 59.304 57.345 0.102 0.000 1.274 196 W CB 0.111 29.777 29.460 0.344 0.000 1.148 196 W HN 0.580 nan 8.180 nan 0.000 0.498 197 S N 0.404 115.926 115.700 -0.297 0.000 2.473 197 S HA 0.205 4.675 4.470 -0.000 0.000 0.307 197 S C 0.477 174.886 174.600 -0.318 0.000 1.094 197 S CA -0.573 57.320 58.200 -0.512 0.000 1.070 197 S CB 1.107 63.895 63.200 -0.686 0.000 1.019 197 S HN 0.090 nan 8.310 nan 0.000 0.480 198 D N 2.029 122.272 120.400 -0.262 0.000 2.183 198 D HA 0.005 4.645 4.640 -0.000 0.000 0.203 198 D C 1.130 177.321 176.300 -0.180 0.000 0.969 198 D CA 1.169 55.059 54.000 -0.183 0.000 0.842 198 D CB -0.170 40.555 40.800 -0.126 0.000 0.957 198 D HN 0.493 nan 8.370 nan 0.000 0.484 199 V N -1.299 118.484 119.914 -0.219 0.000 2.834 199 V HA 0.312 4.432 4.120 -0.000 0.000 0.313 199 V C 0.316 176.203 176.094 -0.344 0.000 1.060 199 V CA -1.158 61.015 62.300 -0.212 0.000 0.989 199 V CB 1.967 33.714 31.823 -0.128 0.000 1.041 199 V HN -0.160 nan 8.190 nan 0.000 0.459 200 D N 0.909 121.130 120.400 -0.297 0.000 2.443 200 D HA 0.152 4.792 4.640 -0.000 0.000 0.239 200 D C 0.250 176.137 176.300 -0.688 0.000 1.136 200 D CA 0.398 54.179 54.000 -0.364 0.000 0.879 200 D CB 1.898 42.563 40.800 -0.224 0.000 1.195 200 D HN 0.456 nan 8.370 nan 0.000 0.443 201 V N 2.479 121.969 119.914 -0.708 0.000 3.411 201 V HA -0.119 4.001 4.120 -0.000 0.000 0.287 201 V C 2.138 177.923 176.094 -0.515 0.000 1.543 201 V CA 0.730 62.391 62.300 -1.065 0.000 1.028 201 V CB 0.297 31.673 31.823 -0.745 0.000 0.840 201 V HN 0.717 nan 8.190 nan 0.000 0.435 202 S N 1.261 116.777 115.700 -0.307 0.000 2.389 202 S HA -0.285 4.185 4.470 -0.000 0.000 0.231 202 S C 1.215 175.802 174.600 -0.022 0.000 1.052 202 S CA 2.052 60.168 58.200 -0.141 0.000 1.053 202 S CB -0.341 62.790 63.200 -0.115 0.000 0.886 202 S HN 0.747 nan 8.310 nan 0.000 0.456 203 E N -0.237 119.990 120.200 0.045 0.000 2.370 203 E HA 0.124 4.474 4.350 -0.000 0.000 0.194 203 E C -1.154 175.657 176.600 0.352 0.000 1.057 203 E CA -0.484 56.012 56.400 0.161 0.000 1.011 203 E CB 0.100 29.882 29.700 0.136 0.000 1.132 203 E HN 0.551 nan 8.360 nan 0.000 0.450 204 W N 3.418 124.732 121.300 0.024 0.000 2.331 204 W HA 0.247 4.907 4.660 -0.000 0.000 0.306 204 W C -1.985 174.564 176.519 0.051 0.000 1.162 204 W CA -3.005 54.366 57.345 0.043 0.000 1.232 204 W CB 0.242 29.743 29.460 0.069 0.000 1.235 204 W HN -0.017 nan 8.180 nan 0.000 0.479 205 P HA 0.326 nan 4.420 nan 0.000 0.278 205 P C 0.278 177.644 177.300 0.111 0.000 1.238 205 P CA -0.167 63.002 63.100 0.116 0.000 0.794 205 P CB 1.222 32.955 31.700 0.055 0.000 0.955 206 G N 2.419 111.279 108.800 0.100 0.000 2.392 206 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.290 206 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.290 206 G C 0.386 175.362 174.900 0.127 0.000 1.032 206 G CA 0.376 45.530 45.100 0.090 0.000 1.269 206 G HN 0.625 nan 8.290 nan 0.000 0.511 207 I N -2.696 117.960 120.570 0.145 0.000 3.578 207 I HA 0.554 4.724 4.170 -0.000 0.000 0.238 207 I C 0.926 177.113 176.117 0.116 0.000 1.080 207 I CA 0.600 62.006 61.300 0.177 0.000 1.538 207 I CB 0.173 38.310 38.000 0.228 0.000 1.477 207 I HN 0.325 nan 8.210 nan 0.000 0.464 208 D N 0.639 121.105 120.400 0.110 0.000 3.360 208 D HA -0.198 4.442 4.640 -0.000 0.000 0.253 208 D C 0.185 176.527 176.300 0.070 0.000 1.039 208 D CA 0.360 54.403 54.000 0.070 0.000 0.980 208 D CB -1.226 39.588 40.800 0.024 0.000 0.986 208 D HN 0.753 nan 8.370 nan 0.000 0.422 209 W N 2.251 123.495 121.300 -0.094 0.000 2.354 209 W HA -0.061 4.599 4.660 -0.000 0.000 0.315 209 W C -1.156 175.275 176.519 -0.145 0.000 1.206 209 W CA 1.610 58.867 57.345 -0.147 0.000 1.290 209 W CB -1.006 28.400 29.460 -0.089 0.000 1.152 209 W HN 0.338 nan 8.180 nan 0.000 0.489 210 P HA -0.258 nan 4.420 nan 0.000 0.217 210 P C 1.598 178.668 177.300 -0.384 0.000 1.158 210 P CA 3.508 66.390 63.100 -0.364 0.000 0.887 210 P CB -0.583 31.028 31.700 -0.147 0.000 0.792 211 A N -1.401 121.260 122.820 -0.265 0.000 1.898 211 A HA -0.142 4.178 4.320 -0.000 0.000 0.216 211 A C 2.192 179.592 177.584 -0.307 0.000 1.181 211 A CA 2.291 54.193 52.037 -0.225 0.000 0.620 211 A CB -1.725 17.196 19.000 -0.133 0.000 0.819 211 A HN 0.195 nan 8.150 nan 0.000 0.442 212 T N -0.517 113.790 114.554 -0.411 0.000 2.812 212 T HA -0.151 4.199 4.350 -0.000 0.000 0.264 212 T C 2.054 176.333 174.700 -0.702 0.000 1.042 212 T CA 1.414 63.194 62.100 -0.534 0.000 1.140 212 T CB -0.237 68.206 68.868 -0.708 0.000 0.870 212 T HN 0.627 nan 8.240 nan 0.000 0.445 213 Q N 1.032 120.172 119.800 -1.100 0.000 2.030 213 Q HA -0.138 4.202 4.340 -0.000 0.000 0.204 213 Q C 2.452 178.142 176.000 -0.518 0.000 0.986 213 Q CA 1.791 56.922 55.803 -1.121 0.000 0.843 213 Q CB -0.211 27.579 28.738 -1.579 0.000 0.904 213 Q HN 0.423 nan 8.270 nan 0.000 0.420 214 S N 0.567 116.013 115.700 -0.423 0.000 2.383 214 S HA -0.217 4.253 4.470 -0.000 0.000 0.229 214 S C 1.736 176.230 174.600 -0.177 0.000 1.030 214 S CA 1.543 59.598 58.200 -0.242 0.000 1.002 214 S CB -0.317 62.763 63.200 -0.199 0.000 0.829 214 S HN 0.407 nan 8.310 nan 0.000 0.467 215 M N 2.255 121.738 119.600 -0.194 0.000 2.086 215 M HA -0.003 4.477 4.480 -0.000 0.000 0.261 215 M C 2.014 178.264 176.300 -0.085 0.000 1.067 215 M CA 1.720 56.947 55.300 -0.121 0.000 1.116 215 M CB -0.723 31.807 32.600 -0.116 0.000 1.348 215 M HN 0.235 nan 8.290 nan 0.000 0.407 216 A N -0.526 122.230 122.820 -0.107 0.000 1.930 216 A HA -0.153 4.167 4.320 -0.000 0.000 0.217 216 A C 2.019 179.590 177.584 -0.021 0.000 1.175 216 A CA 1.838 53.865 52.037 -0.017 0.000 0.627 216 A CB -0.881 18.163 19.000 0.073 0.000 0.815 216 A HN 0.683 nan 8.150 nan 0.000 0.443 217 E N -0.776 119.392 120.200 -0.052 0.000 2.110 217 E HA -0.244 4.105 4.350 -0.000 0.000 0.193 217 E C 2.206 178.795 176.600 -0.018 0.000 0.988 217 E CA 1.301 57.686 56.400 -0.026 0.000 0.804 217 E CB -0.117 29.552 29.700 -0.051 0.000 0.745 217 E HN 0.804 nan 8.360 nan 0.000 0.458 218 Q N 0.577 120.358 119.800 -0.032 0.000 2.123 218 Q HA -0.118 4.222 4.340 -0.000 0.000 0.199 218 Q C 2.165 178.160 176.000 -0.009 0.000 0.966 218 Q CA 0.986 56.778 55.803 -0.019 0.000 0.845 218 Q CB 0.314 29.035 28.738 -0.027 0.000 0.907 218 Q HN 0.140 nan 8.270 nan 0.000 0.439 219 V N 1.251 121.156 119.914 -0.015 0.000 2.515 219 V HA -0.252 3.868 4.120 -0.000 0.000 0.250 219 V C 2.289 178.374 176.094 -0.015 0.000 1.058 219 V CA 1.253 63.545 62.300 -0.013 0.000 1.064 219 V CB -0.554 31.259 31.823 -0.016 0.000 0.675 219 V HN 0.438 nan 8.190 nan 0.000 0.461 220 L N 0.206 121.417 121.223 -0.020 0.000 2.005 220 L HA -0.137 4.203 4.340 -0.000 0.000 0.207 220 L C 2.651 179.547 176.870 0.045 0.000 1.072 220 L CA 1.837 56.676 54.840 -0.001 0.000 0.744 220 L CB -0.558 41.510 42.059 0.015 0.000 0.895 220 L HN 0.367 nan 8.230 nan 0.000 0.433 221 A N -0.657 122.187 122.820 0.041 0.000 1.972 221 A HA -0.286 4.034 4.320 -0.000 0.000 0.219 221 A C 2.112 179.729 177.584 0.055 0.000 1.169 221 A CA 1.894 53.965 52.037 0.056 0.000 0.635 221 A CB -0.517 18.506 19.000 0.039 0.000 0.810 221 A HN 0.566 nan 8.150 nan 0.000 0.446 222 E N -0.409 119.813 120.200 0.036 0.000 2.072 222 E HA -0.170 4.180 4.350 -0.000 0.000 0.191 222 E C 2.276 178.901 176.600 0.042 0.000 0.985 222 E CA 1.019 57.436 56.400 0.028 0.000 0.801 222 E CB -0.043 29.666 29.700 0.014 0.000 0.750 222 E HN 0.594 nan 8.360 nan 0.000 0.452 223 R N -0.124 120.413 120.500 0.062 0.000 2.115 223 R HA -0.011 4.329 4.340 -0.000 0.000 0.226 223 R C 2.399 178.807 176.300 0.180 0.000 1.100 223 R CA 0.682 56.840 56.100 0.097 0.000 0.980 223 R CB -0.084 30.276 30.300 0.100 0.000 0.875 223 R HN 0.263 nan 8.270 nan 0.000 0.445 224 L N 0.842 122.183 121.223 0.197 0.000 2.313 224 L HA 0.103 4.443 4.340 -0.000 0.000 0.214 224 L C 1.058 178.051 176.870 0.206 0.000 1.119 224 L CA -0.257 54.760 54.840 0.295 0.000 0.809 224 L CB -0.316 41.904 42.059 0.267 0.000 0.933 224 L HN 0.067 nan 8.230 nan 0.000 0.449 225 A N 0.125 123.009 122.820 0.107 0.000 2.546 225 A HA 0.380 4.700 4.320 -0.000 0.000 0.243 225 A C 1.273 178.837 177.584 -0.034 0.000 1.063 225 A CA 0.851 52.914 52.037 0.042 0.000 0.757 225 A CB -0.104 18.908 19.000 0.021 0.000 0.991 225 A HN 0.541 nan 8.150 nan 0.000 0.503 226 G N 1.411 110.163 108.800 -0.081 0.000 2.475 226 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.209 226 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.209 226 G C 0.919 175.636 174.900 -0.305 0.000 1.127 226 G CA 0.552 45.518 45.100 -0.222 0.000 0.681 226 G HN 0.709 nan 8.290 nan 0.000 0.517 227 W N 0.995 122.175 121.300 -0.199 0.000 2.409 227 W HA 0.218 4.878 4.660 -0.000 0.000 0.299 227 W C 2.823 179.171 176.519 -0.286 0.000 1.203 227 W CA 1.469 58.568 57.345 -0.411 0.000 1.298 227 W CB -0.220 28.708 29.460 -0.887 0.000 1.127 227 W HN 0.424 nan 8.180 nan 0.000 0.528 228 Q N 1.235 121.093 119.800 0.097 0.000 2.135 228 Q HA -0.221 4.119 4.340 -0.000 0.000 0.204 228 Q C 1.600 177.660 176.000 0.100 0.000 0.981 228 Q CA 2.010 57.910 55.803 0.163 0.000 0.856 228 Q CB -0.315 28.515 28.738 0.153 0.000 0.902 228 Q HN 0.353 nan 8.270 nan 0.000 0.425 229 E N -0.745 119.465 120.200 0.016 0.000 2.208 229 E HA -0.090 4.260 4.350 -0.000 0.000 0.193 229 E C 1.897 178.454 176.600 -0.072 0.000 0.988 229 E CA 0.554 56.938 56.400 -0.028 0.000 0.828 229 E CB -0.046 29.615 29.700 -0.065 0.000 0.763 229 E HN 0.231 nan 8.360 nan 0.000 0.478 230 R N -0.131 120.297 120.500 -0.119 0.000 2.200 230 R HA -0.009 4.331 4.340 -0.000 0.000 0.208 230 R C -0.058 175.997 176.300 -0.407 0.000 1.033 230 R CA 0.682 56.613 56.100 -0.282 0.000 1.000 230 R CB 0.411 30.495 30.300 -0.360 0.000 0.906 230 R HN 0.117 nan 8.270 nan 0.000 0.462 231 Y N 0.187 120.531 120.300 0.074 0.000 2.658 231 Y HA 0.311 4.861 4.550 -0.000 0.000 0.362 231 Y C -1.831 174.154 175.900 0.141 0.000 1.017 231 Y CA -2.447 55.741 58.100 0.146 0.000 1.134 231 Y CB 1.688 40.320 38.460 0.288 0.000 1.144 231 Y HN 0.063 nan 8.280 nan 0.000 0.655 232 P HA -0.144 nan 4.420 nan 0.000 0.220 232 P C 0.710 178.098 177.300 0.145 0.000 1.148 232 P CA 1.438 64.618 63.100 0.133 0.000 0.803 232 P CB 0.605 32.348 31.700 0.073 0.000 0.782 233 N N -0.307 118.492 118.700 0.166 0.000 2.412 233 N HA 0.005 4.745 4.740 -0.000 0.000 0.184 233 N C 0.343 175.933 175.510 0.132 0.000 1.101 233 N CA 0.195 53.323 53.050 0.131 0.000 0.881 233 N CB 0.384 38.941 38.487 0.115 0.000 0.969 233 N HN 0.091 nan 8.380 nan 0.000 0.459 234 V N 1.275 121.302 119.914 0.187 0.000 2.364 234 V HA 0.578 4.698 4.120 -0.000 0.000 0.272 234 V C -0.243 175.928 176.094 0.129 0.000 1.036 234 V CA -0.874 61.506 62.300 0.134 0.000 0.880 234 V CB 0.512 32.404 31.823 0.115 0.000 0.991 234 V HN 0.147 nan 8.190 nan 0.000 0.460 235 A N 8.286 131.146 122.820 0.066 0.000 2.395 235 A HA 0.553 4.873 4.320 -0.000 0.000 0.286 235 A C 0.074 177.679 177.584 0.036 0.000 1.193 235 A CA -0.297 51.775 52.037 0.059 0.000 0.852 235 A CB -0.299 18.722 19.000 0.035 0.000 1.118 235 A HN 0.890 nan 8.150 nan 0.000 0.524 236 I N 2.000 122.616 120.570 0.077 0.000 2.519 236 I HA 0.252 4.422 4.170 -0.000 0.000 0.287 236 I C 0.442 176.582 176.117 0.037 0.000 1.047 236 I CA 0.244 61.579 61.300 0.059 0.000 1.381 236 I CB 1.442 39.538 38.000 0.160 0.000 1.417 236 I HN 0.488 nan 8.210 nan 0.000 0.540 237 T N 5.904 120.465 114.554 0.011 0.000 2.881 237 T HA 0.407 4.757 4.350 -0.000 0.000 0.291 237 T C -0.415 174.299 174.700 0.024 0.000 0.990 237 T CA -0.722 61.388 62.100 0.016 0.000 0.976 237 T CB 0.861 69.730 68.868 0.001 0.000 0.970 237 T HN 0.450 nan 8.240 nan 0.000 0.438 238 R N 2.050 122.574 120.500 0.040 0.000 2.265 238 R HA 0.697 5.037 4.340 -0.000 0.000 0.319 238 R C -0.962 175.371 176.300 0.055 0.000 1.006 238 R CA -0.741 55.391 56.100 0.053 0.000 0.880 238 R CB 1.419 31.755 30.300 0.060 0.000 1.077 238 R HN 0.306 nan 8.270 nan 0.000 0.454 239 V N 3.961 123.917 119.914 0.070 0.000 2.483 239 V HA 0.304 4.424 4.120 -0.000 0.000 0.297 239 V C -0.411 175.762 176.094 0.132 0.000 1.027 239 V CA -0.854 61.496 62.300 0.084 0.000 0.855 239 V CB 2.000 33.861 31.823 0.063 0.000 0.995 239 V HN 0.460 nan 8.190 nan 0.000 0.424 240 V N 5.992 126.003 119.914 0.162 0.000 2.384 240 V HA 0.591 4.711 4.120 -0.000 0.000 0.287 240 V C 0.007 176.303 176.094 0.336 0.000 1.020 240 V CA -0.471 61.983 62.300 0.255 0.000 0.850 240 V CB 1.874 33.839 31.823 0.238 0.000 0.987 240 V HN 0.752 nan 8.190 nan 0.000 0.436 241 V N 2.968 123.060 119.914 0.297 0.000 2.994 241 V HA 0.622 4.742 4.120 -0.000 0.000 0.318 241 V C 1.080 177.269 176.094 0.159 0.000 1.085 241 V CA -0.754 61.678 62.300 0.220 0.000 0.998 241 V CB 1.727 33.583 31.823 0.054 0.000 1.063 241 V HN 0.679 nan 8.190 nan 0.000 0.447 242 R N 0.816 121.156 120.500 -0.268 0.000 2.070 242 R HA 0.003 4.343 4.340 -0.000 0.000 0.232 242 R C 0.522 176.739 176.300 -0.139 0.000 1.138 242 R CA 2.361 58.118 56.100 -0.570 0.000 0.936 242 R CB 0.012 29.791 30.300 -0.868 0.000 0.839 242 R HN 1.084 nan 8.270 nan 0.000 0.429 243 D N -2.972 117.316 120.400 -0.188 0.000 3.057 243 D HA 0.042 4.682 4.640 -0.000 0.000 0.328 243 D C -1.053 175.149 176.300 -0.162 0.000 1.317 243 D CA -0.685 53.203 54.000 -0.187 0.000 0.973 243 D CB -0.067 40.577 40.800 -0.260 0.000 1.424 243 D HN 0.139 nan 8.370 nan 0.000 0.569 244 Q N -0.084 119.617 119.800 -0.164 0.000 2.454 244 Q HA -0.116 4.224 4.340 -0.000 0.000 0.341 244 Q C -1.762 174.173 176.000 -0.108 0.000 1.437 244 Q CA 0.460 56.184 55.803 -0.130 0.000 0.935 244 Q CB -1.078 27.587 28.738 -0.122 0.000 1.164 244 Q HN 0.443 nan 8.270 nan 0.000 0.373 245 P HA -0.194 nan 4.420 nan 0.000 0.217 245 P C 1.128 178.384 177.300 -0.073 0.000 1.151 245 P CA 1.782 64.826 63.100 -0.093 0.000 0.828 245 P CB 0.085 31.721 31.700 -0.106 0.000 0.788 246 A N 0.722 123.497 122.820 -0.074 0.000 1.858 246 A HA -0.187 4.133 4.320 -0.000 0.000 0.216 246 A C 2.549 180.096 177.584 -0.062 0.000 1.190 246 A CA 1.806 53.805 52.037 -0.064 0.000 0.617 246 A CB -1.380 17.583 19.000 -0.062 0.000 0.827 246 A HN 0.047 nan 8.150 nan 0.000 0.443 247 R N -1.078 119.382 120.500 -0.066 0.000 2.115 247 R HA -0.116 4.224 4.340 -0.000 0.000 0.230 247 R C 2.322 178.587 176.300 -0.058 0.000 1.111 247 R CA 1.266 57.328 56.100 -0.063 0.000 0.976 247 R CB -0.151 30.109 30.300 -0.066 0.000 0.870 247 R HN 0.530 nan 8.270 nan 0.000 0.445 248 Q N 0.374 120.139 119.800 -0.059 0.000 2.079 248 Q HA -0.137 4.203 4.340 -0.000 0.000 0.200 248 Q C 2.240 178.215 176.000 -0.042 0.000 0.974 248 Q CA 1.265 57.039 55.803 -0.048 0.000 0.840 248 Q CB -0.110 28.601 28.738 -0.046 0.000 0.898 248 Q HN 0.395 nan 8.270 nan 0.000 0.430 249 L N -0.260 120.937 121.223 -0.045 0.000 2.017 249 L HA -0.165 4.175 4.340 -0.000 0.000 0.208 249 L C 2.496 179.338 176.870 -0.046 0.000 1.073 249 L CA 0.754 55.569 54.840 -0.042 0.000 0.745 249 L CB -0.590 41.443 42.059 -0.043 0.000 0.894 249 L HN 0.010 nan 8.230 nan 0.000 0.432 250 V N -0.287 119.595 119.914 -0.053 0.000 2.287 250 V HA -0.335 3.785 4.120 -0.000 0.000 0.248 250 V C 2.494 178.552 176.094 -0.059 0.000 1.053 250 V CA 2.046 64.309 62.300 -0.062 0.000 1.027 250 V CB -0.490 31.292 31.823 -0.068 0.000 0.646 250 V HN 0.485 nan 8.190 nan 0.000 0.447 251 Q N 0.851 120.620 119.800 -0.052 0.000 2.002 251 Q HA -0.209 4.131 4.340 -0.000 0.000 0.204 251 Q C 2.218 178.194 176.000 -0.039 0.000 0.988 251 Q CA 1.967 57.742 55.803 -0.045 0.000 0.843 251 Q CB -0.362 28.351 28.738 -0.041 0.000 0.908 251 Q HN 0.547 nan 8.270 nan 0.000 0.420 252 R N 0.079 120.558 120.500 -0.035 0.000 2.316 252 R HA 0.010 4.350 4.340 -0.000 0.000 0.202 252 R C 2.268 178.549 176.300 -0.031 0.000 1.029 252 R CA 0.798 56.881 56.100 -0.028 0.000 1.018 252 R CB -0.178 30.109 30.300 -0.023 0.000 0.888 252 R HN 0.452 nan 8.270 nan 0.000 0.471 253 S N 0.796 116.473 115.700 -0.038 0.000 2.447 253 S HA -0.115 4.355 4.470 -0.000 0.000 0.233 253 S C 1.420 176.000 174.600 -0.033 0.000 1.006 253 S CA 0.719 58.897 58.200 -0.037 0.000 0.957 253 S CB -0.007 63.164 63.200 -0.048 0.000 0.773 253 S HN 0.350 nan 8.310 nan 0.000 0.507 254 E N 0.966 121.144 120.200 -0.035 0.000 2.401 254 E HA -0.080 4.270 4.350 -0.000 0.000 0.199 254 E C 0.925 177.513 176.600 -0.020 0.000 1.023 254 E CA 0.954 57.336 56.400 -0.030 0.000 0.859 254 E CB -0.087 29.594 29.700 -0.032 0.000 0.780 254 E HN 0.732 nan 8.360 nan 0.000 0.523 255 E N -0.494 119.694 120.200 -0.019 0.000 2.758 255 E HA 0.248 4.598 4.350 -0.000 0.000 0.215 255 E C -0.582 176.009 176.600 -0.015 0.000 0.985 255 E CA -0.342 56.049 56.400 -0.015 0.000 1.102 255 E CB 1.342 31.033 29.700 -0.016 0.000 1.042 255 E HN 0.095 nan 8.360 nan 0.000 0.480 256 A N 0.950 123.762 122.820 -0.014 0.000 2.313 256 A HA 0.368 4.688 4.320 -0.000 0.000 0.323 256 A C 0.475 178.063 177.584 0.006 0.000 1.133 256 A CA -0.550 51.480 52.037 -0.012 0.000 0.847 256 A CB 0.892 19.880 19.000 -0.021 0.000 1.308 256 A HN 0.164 nan 8.150 nan 0.000 0.475 257 Q N -0.663 119.149 119.800 0.020 0.000 2.282 257 Q HA 0.509 4.849 4.340 -0.000 0.000 0.206 257 Q C -0.644 175.409 176.000 0.088 0.000 0.878 257 Q CA 0.062 55.899 55.803 0.056 0.000 0.944 257 Q CB 0.376 29.152 28.738 0.063 0.000 1.100 257 Q HN 0.439 nan 8.270 nan 0.000 0.509 258 L N 0.434 121.688 121.223 0.051 0.000 2.592 258 L HA 0.472 4.812 4.340 -0.000 0.000 0.258 258 L C -1.901 174.969 176.870 -0.001 0.000 0.926 258 L CA -0.742 54.130 54.840 0.053 0.000 0.885 258 L CB 2.588 44.712 42.059 0.108 0.000 1.380 258 L HN -0.060 nan 8.230 nan 0.000 0.415 259 V N 4.429 124.332 119.914 -0.018 0.000 2.555 259 V HA 0.775 4.895 4.120 -0.000 0.000 0.302 259 V C -0.752 175.314 176.094 -0.047 0.000 1.038 259 V CA -0.723 61.555 62.300 -0.037 0.000 0.887 259 V CB 2.010 33.812 31.823 -0.035 0.000 0.991 259 V HN 0.510 nan 8.190 nan 0.000 0.434 260 V N 5.040 124.921 119.914 -0.054 0.000 2.531 260 V HA 0.769 4.889 4.120 -0.000 0.000 0.301 260 V C -0.323 175.740 176.094 -0.051 0.000 1.034 260 V CA -0.531 61.736 62.300 -0.055 0.000 0.865 260 V CB 1.868 33.654 31.823 -0.062 0.000 0.995 260 V HN 0.811 nan 8.190 nan 0.000 0.424 261 V N 1.567 121.453 119.914 -0.047 0.000 3.130 261 V HA 1.044 5.164 4.120 -0.000 0.000 0.310 261 V C 0.310 176.382 176.094 -0.037 0.000 1.158 261 V CA -0.405 61.871 62.300 -0.040 0.000 1.029 261 V CB 1.741 33.539 31.823 -0.041 0.000 1.057 261 V HN 0.925 nan 8.190 nan 0.000 0.436 262 G N 0.482 109.263 108.800 -0.031 0.000 2.562 262 G HA2 0.461 4.421 3.960 -0.000 0.000 0.275 262 G HA3 0.461 4.421 3.960 -0.000 0.000 0.275 262 G C 0.900 175.773 174.900 -0.045 0.000 1.196 262 G CA 0.122 45.203 45.100 -0.031 0.000 0.908 262 G HN 1.608 nan 8.290 nan 0.000 0.524 263 S N -0.653 115.016 115.700 -0.052 0.000 2.446 263 S HA 0.171 4.641 4.470 -0.000 0.000 0.225 263 S C 1.065 175.617 174.600 -0.080 0.000 1.016 263 S CA 0.319 58.477 58.200 -0.070 0.000 0.943 263 S CB 0.104 63.256 63.200 -0.080 0.000 0.786 263 S HN 0.376 nan 8.310 nan 0.000 0.508 264 R N 0.288 120.747 120.500 -0.069 0.000 2.854 264 R HA 0.780 5.120 4.340 -0.000 0.000 0.271 264 R C 0.286 176.553 176.300 -0.054 0.000 0.994 264 R CA -0.092 55.962 56.100 -0.077 0.000 0.945 264 R CB 1.482 31.735 30.300 -0.078 0.000 1.194 264 R HN 0.353 nan 8.270 nan 0.000 0.476 265 G N -0.155 108.610 108.800 -0.059 0.000 3.262 265 G HA2 0.274 4.234 3.960 -0.000 0.000 0.229 265 G HA3 0.274 4.234 3.960 -0.000 0.000 0.229 265 G C 0.246 175.131 174.900 -0.025 0.000 1.280 265 G CA -0.526 44.554 45.100 -0.034 0.000 0.951 265 G HN 0.499 nan 8.290 nan 0.000 0.589 266 R N -0.680 119.814 120.500 -0.011 0.000 2.276 266 R HA 0.255 4.595 4.340 -0.000 0.000 0.196 266 R C 1.253 177.547 176.300 -0.011 0.000 0.961 266 R CA 0.727 56.827 56.100 -0.001 0.000 1.024 266 R CB -0.071 30.240 30.300 0.019 0.000 0.940 266 R HN 0.445 nan 8.270 nan 0.000 0.480 267 G N 0.577 109.360 108.800 -0.028 0.000 3.137 267 G HA2 0.466 4.426 3.960 -0.000 0.000 0.163 267 G HA3 0.466 4.426 3.960 -0.000 0.000 0.163 267 G C 0.185 175.054 174.900 -0.051 0.000 1.602 267 G CA -0.206 44.878 45.100 -0.027 0.000 1.067 267 G HN 0.494 nan 8.290 nan 0.000 0.568 268 G N -1.530 107.227 108.800 -0.072 0.000 2.645 268 G HA2 0.229 4.189 3.960 -0.000 0.000 0.246 268 G HA3 0.229 4.189 3.960 -0.000 0.000 0.246 268 G C -0.303 174.547 174.900 -0.085 0.000 1.322 268 G CA 0.632 45.602 45.100 -0.217 0.000 0.898 268 G HN 1.880 nan 8.290 nan 0.000 0.573 269 Y N -3.696 116.596 120.300 -0.013 0.000 2.689 269 Y HA 0.803 5.353 4.550 -0.000 0.000 0.333 269 Y C 0.319 176.213 175.900 -0.010 0.000 1.190 269 Y CA -0.994 57.100 58.100 -0.009 0.000 1.063 269 Y CB 0.510 38.965 38.460 -0.008 0.000 1.294 269 Y HN 1.691 nan 8.280 nan 0.000 0.466 270 A N 0.593 123.544 122.820 0.218 0.000 2.477 270 A HA 0.474 4.794 4.320 -0.000 0.000 0.246 270 A C 1.329 179.022 177.584 0.182 0.000 1.078 270 A CA 0.713 52.827 52.037 0.128 0.000 0.770 270 A CB -1.081 17.974 19.000 0.092 0.000 1.011 270 A HN 2.128 nan 8.150 nan 0.000 0.494 271 G N 1.141 109.995 108.800 0.089 0.000 2.195 271 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.246 271 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.246 271 G C 0.404 175.341 174.900 0.062 0.000 0.984 271 G CA 0.350 45.504 45.100 0.091 0.000 0.633 271 G HN 1.009 nan 8.290 nan 0.000 0.525 272 M N 1.292 120.871 119.600 -0.036 0.000 2.217 272 M HA 0.525 5.005 4.480 -0.000 0.000 0.352 272 M C 1.418 177.619 176.300 -0.165 0.000 1.376 272 M CA -0.048 55.131 55.300 -0.201 0.000 1.107 272 M CB 0.498 32.694 32.600 -0.672 0.000 1.723 272 M HN 0.173 nan 8.290 nan 0.000 0.461 273 L N 4.845 125.980 121.223 -0.147 0.000 2.298 273 L HA 0.270 4.610 4.340 -0.000 0.000 0.209 273 L C 0.196 176.959 176.870 -0.179 0.000 1.084 273 L CA -0.063 54.666 54.840 -0.185 0.000 0.816 273 L CB 0.435 42.339 42.059 -0.259 0.000 0.967 273 L HN 0.559 nan 8.230 nan 0.000 0.460 274 V N -0.074 119.746 119.914 -0.157 0.000 2.777 274 V HA 0.669 4.789 4.120 -0.000 0.000 0.306 274 V C -0.127 175.886 176.094 -0.135 0.000 1.112 274 V CA -0.680 61.539 62.300 -0.134 0.000 0.917 274 V CB 1.722 33.479 31.823 -0.111 0.000 1.018 274 V HN 0.099 nan 8.190 nan 0.000 0.426 275 G N 3.140 111.862 108.800 -0.129 0.000 2.636 275 G HA2 0.342 4.302 3.960 -0.000 0.000 0.246 275 G HA3 0.342 4.302 3.960 -0.000 0.000 0.246 275 G C 1.137 175.984 174.900 -0.089 0.000 1.216 275 G CA 0.289 45.313 45.100 -0.126 0.000 0.854 275 G HN 1.471 nan 8.290 nan 0.000 0.572 276 S N -0.186 115.469 115.700 -0.075 0.000 2.428 276 S HA -0.106 4.364 4.470 -0.000 0.000 0.230 276 S C 2.134 176.702 174.600 -0.053 0.000 1.014 276 S CA 1.125 59.294 58.200 -0.052 0.000 0.957 276 S CB -0.081 63.098 63.200 -0.035 0.000 0.784 276 S HN 0.262 nan 8.310 nan 0.000 0.499 277 V N 2.282 122.160 119.914 -0.059 0.000 2.323 277 V HA 0.038 4.158 4.120 -0.000 0.000 0.244 277 V C 2.933 178.994 176.094 -0.054 0.000 1.041 277 V CA 1.701 63.966 62.300 -0.057 0.000 1.025 277 V CB -1.595 30.192 31.823 -0.060 0.000 0.656 277 V HN 0.621 nan 8.190 nan 0.000 0.451 278 G N -0.678 108.087 108.800 -0.058 0.000 2.476 278 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.218 278 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.218 278 G C 1.547 176.415 174.900 -0.053 0.000 1.164 278 G CA 1.171 46.237 45.100 -0.057 0.000 0.768 278 G HN 0.562 nan 8.290 nan 0.000 0.560 279 E N -0.389 119.779 120.200 -0.053 0.000 2.046 279 E HA -0.086 4.264 4.350 -0.000 0.000 0.190 279 E C 2.645 179.223 176.600 -0.037 0.000 0.982 279 E CA 1.323 57.696 56.400 -0.046 0.000 0.800 279 E CB -0.019 29.654 29.700 -0.046 0.000 0.756 279 E HN 0.373 nan 8.360 nan 0.000 0.449 280 T N 0.445 114.975 114.554 -0.040 0.000 2.746 280 T HA -0.121 4.229 4.350 -0.000 0.000 0.267 280 T C 1.920 176.597 174.700 -0.038 0.000 1.039 280 T CA 1.174 63.250 62.100 -0.040 0.000 1.142 280 T CB -0.153 68.688 68.868 -0.045 0.000 0.866 280 T HN 0.010 nan 8.240 nan 0.000 0.444 281 V N 1.772 121.663 119.914 -0.038 0.000 2.295 281 V HA -0.167 3.953 4.120 -0.000 0.000 0.246 281 V C 2.932 179.022 176.094 -0.008 0.000 1.049 281 V CA 1.660 63.939 62.300 -0.035 0.000 1.024 281 V CB -1.262 30.538 31.823 -0.038 0.000 0.648 281 V HN 0.532 nan 8.190 nan 0.000 0.447 282 A N 0.594 123.410 122.820 -0.005 0.000 1.917 282 A HA -0.312 4.008 4.320 -0.000 0.000 0.219 282 A C 2.216 179.867 177.584 0.111 0.000 1.182 282 A CA 2.282 54.331 52.037 0.020 0.000 0.633 282 A CB -0.454 18.528 19.000 -0.029 0.000 0.819 282 A HN 0.792 nan 8.150 nan 0.000 0.448 283 Q N -2.039 117.797 119.800 0.060 0.000 2.376 283 Q HA 0.177 4.517 4.340 -0.000 0.000 0.206 283 Q C 1.166 177.177 176.000 0.018 0.000 0.921 283 Q CA 0.524 56.377 55.803 0.082 0.000 0.911 283 Q CB -0.031 28.713 28.738 0.010 0.000 1.032 283 Q HN 0.425 nan 8.270 nan 0.000 0.510 284 L N 0.542 121.734 121.223 -0.052 0.000 2.638 284 L HA 0.418 4.758 4.340 -0.000 0.000 0.232 284 L C 0.860 177.607 176.870 -0.206 0.000 1.099 284 L CA 0.025 54.791 54.840 -0.123 0.000 0.883 284 L CB -0.402 41.605 42.059 -0.087 0.000 1.136 284 L HN 0.186 nan 8.230 nan 0.000 0.492 285 A N -0.002 122.696 122.820 -0.203 0.000 2.466 285 A HA 0.158 4.478 4.320 -0.000 0.000 0.238 285 A C 1.091 178.450 177.584 -0.375 0.000 1.074 285 A CA 0.006 51.921 52.037 -0.202 0.000 0.774 285 A CB 0.264 19.222 19.000 -0.070 0.000 1.015 285 A HN 0.150 nan 8.150 nan 0.000 0.498 286 R N 0.035 120.409 120.500 -0.209 0.000 2.427 286 R HA 0.142 4.482 4.340 -0.000 0.000 0.262 286 R C 0.148 176.399 176.300 -0.081 0.000 0.943 286 R CA 0.914 56.908 56.100 -0.177 0.000 1.081 286 R CB -0.692 29.543 30.300 -0.108 0.000 1.166 286 R HN 0.973 nan 8.270 nan 0.000 0.534 287 T N -3.839 110.696 114.554 -0.031 0.000 2.787 287 T HA 0.513 4.863 4.350 -0.000 0.000 0.297 287 T C -3.065 171.696 174.700 0.101 0.000 1.221 287 T CA -2.337 59.792 62.100 0.048 0.000 1.006 287 T CB 2.544 71.428 68.868 0.026 0.000 1.328 287 T HN -0.294 nan 8.240 nan 0.000 0.509 288 P HA 0.295 nan 4.420 nan 0.000 0.265 288 P C -0.966 176.249 177.300 -0.142 0.000 1.187 288 P CA -0.227 62.764 63.100 -0.182 0.000 0.766 288 P CB 0.327 31.784 31.700 -0.404 0.000 0.820 289 V N 5.546 125.346 119.914 -0.190 0.000 2.444 289 V HA 0.339 4.459 4.120 -0.000 0.000 0.294 289 V C 0.270 176.252 176.094 -0.187 0.000 1.022 289 V CA -0.480 61.744 62.300 -0.128 0.000 0.850 289 V CB 1.483 33.278 31.823 -0.047 0.000 0.992 289 V HN 0.379 nan 8.190 nan 0.000 0.426 290 I N 5.143 125.628 120.570 -0.141 0.000 2.315 290 I HA 0.367 4.537 4.170 -0.000 0.000 0.291 290 I C -0.384 175.686 176.117 -0.079 0.000 1.006 290 I CA -0.577 60.652 61.300 -0.118 0.000 1.265 290 I CB 1.672 39.636 38.000 -0.060 0.000 1.387 290 I HN 0.261 nan 8.210 nan 0.000 0.475 291 V N 6.495 126.363 119.914 -0.078 0.000 2.347 291 V HA 0.403 4.523 4.120 -0.000 0.000 0.280 291 V C 0.606 176.672 176.094 -0.046 0.000 1.021 291 V CA -0.651 61.612 62.300 -0.061 0.000 0.847 291 V CB 1.337 33.120 31.823 -0.068 0.000 0.990 291 V HN 0.844 nan 8.190 nan 0.000 0.444 292 A N 6.959 129.758 122.820 -0.035 0.000 2.409 292 A HA 0.675 4.995 4.320 -0.000 0.000 0.267 292 A C 0.291 177.861 177.584 -0.024 0.000 1.127 292 A CA -0.183 51.843 52.037 -0.019 0.000 0.795 292 A CB 0.184 19.179 19.000 -0.009 0.000 1.061 292 A HN 0.847 nan 8.150 nan 0.000 0.502 293 R N 2.196 122.686 120.500 -0.017 0.000 2.686 293 R HA 0.439 4.779 4.340 -0.000 0.000 0.283 293 R C -0.823 175.474 176.300 -0.004 0.000 0.978 293 R CA -0.663 55.420 56.100 -0.028 0.000 0.897 293 R CB 2.240 32.509 30.300 -0.052 0.000 1.192 293 R HN 0.874 nan 8.270 nan 0.000 0.457 294 E N 1.169 121.365 120.200 -0.006 0.000 2.292 294 E HA 0.490 4.840 4.350 -0.000 0.000 0.258 294 E C 0.199 176.822 176.600 0.040 0.000 1.115 294 E CA 0.236 56.649 56.400 0.021 0.000 0.929 294 E CB 0.989 30.701 29.700 0.021 0.000 1.161 294 E HN 0.775 nan 8.360 nan 0.000 0.453 295 S N 0.000 115.738 115.700 0.064 0.000 2.498 295 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 295 S CA 0.000 58.259 58.200 0.099 0.000 1.107 295 S CB 0.000 63.255 63.200 0.091 0.000 0.593 295 S HN 0.000 nan 8.310 nan 0.000 0.517