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 1wyu_1_C DATA FIRST_RESID 1 DATA SEQUENCE MDYTPHTEEE IREMLRRVGA ASLEDLFAHL PKEILSPPID LPEPLPEWKV DATA SEQUENCE LEELRRLAAQ NLPAHKAFLG GGVRSHHVPP VVQALAARGE FLTAYTPYQP DATA SEQUENCE EVSQGVLQAT FEYQTMIAEL AGLEIANASM YDGATALAEG VLLALRETGR DATA SEQUENCE MGVLVSQGVH PEYRAVLRAY LEAVGAKLLT LPLEGGRTPL PEVGEEVGAV DATA SEQUENCE VVQNPNFLGA LEDLGPFAEA AHGAGALFVA VADPLSLGVL KPPGAYGADI DATA SEQUENCE AVGDGQSLGL PMGFGGPHFG FLATKKAFVR QLPGRLVSET VDVEGRRGFI DATA SEQUENCE LTLQAREQYI RRAKAKSNIT TNAQLTALMG AMYLAALGPE GLREVALKSV DATA SEQUENCE EMAHKLHALL LEVPGVRPFT PKPFFNEFAL ALPKDPEAVR RALAERGFHG DATA SEQUENCE ATPVPREYGE NLALFAATEL HEEEDLLALR EALKEVL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.156 176.300 -0.239 0.000 1.140 1 M CA 0.000 55.197 55.300 -0.172 0.000 0.988 1 M CB 0.000 32.481 32.600 -0.198 0.000 1.302 2 D N -0.720 119.484 120.400 -0.327 0.000 2.692 2 D HA 0.429 5.069 4.640 0.000 0.000 0.303 2 D C -1.147 174.834 176.300 -0.533 0.000 1.278 2 D CA -0.252 53.517 54.000 -0.386 0.000 0.852 2 D CB 1.081 41.807 40.800 -0.123 0.000 1.375 2 D HN 0.606 nan 8.370 nan 0.000 0.453 3 Y N -0.245 120.070 120.300 0.026 0.000 2.584 3 Y HA 0.186 4.736 4.550 0.000 0.000 0.254 3 Y C 0.943 176.876 175.900 0.055 0.000 1.177 3 Y CA -0.258 57.862 58.100 0.034 0.000 1.216 3 Y CB 0.521 38.997 38.460 0.027 0.000 1.172 3 Y HN 0.366 nan 8.280 nan 0.000 0.529 4 T N -0.894 113.755 114.554 0.158 0.000 2.869 4 T HA 0.159 4.510 4.350 0.000 0.000 0.295 4 T C -1.185 173.625 174.700 0.184 0.000 0.987 4 T CA -1.531 60.694 62.100 0.209 0.000 1.109 4 T CB 1.694 70.682 68.868 0.201 0.000 0.932 4 T HN 0.071 nan 8.240 nan 0.000 0.518 5 P HA 0.017 nan 4.420 nan 0.000 0.230 5 P C -0.080 177.231 177.300 0.017 0.000 1.168 5 P CA 0.293 63.413 63.100 0.032 0.000 0.793 5 P CB -0.167 31.494 31.700 -0.065 0.000 0.851 6 H N 1.574 120.656 119.070 0.021 0.000 3.167 6 H HA 0.118 4.674 4.556 0.000 0.000 0.306 6 H C 1.162 176.498 175.328 0.012 0.000 0.965 6 H CA 0.636 56.694 56.048 0.016 0.000 1.408 6 H CB -0.379 29.394 29.762 0.018 0.000 1.406 6 H HN 0.158 nan 8.280 nan 0.000 0.576 7 T N 0.087 114.702 114.554 0.102 0.000 2.881 7 T HA 0.132 4.482 4.350 0.000 0.000 0.278 7 T C 1.262 176.003 174.700 0.069 0.000 0.982 7 T CA -1.064 61.074 62.100 0.064 0.000 0.989 7 T CB 1.365 70.252 68.868 0.033 0.000 1.058 7 T HN 0.500 nan 8.240 nan 0.000 0.529 8 E N 0.870 121.098 120.200 0.046 0.000 2.118 8 E HA -0.141 4.210 4.350 0.000 0.000 0.195 8 E C 2.176 178.798 176.600 0.036 0.000 0.992 8 E CA 1.320 57.743 56.400 0.038 0.000 0.804 8 E CB -0.157 29.558 29.700 0.025 0.000 0.741 8 E HN 0.820 nan 8.360 nan 0.000 0.458 9 E N 0.890 121.108 120.200 0.030 0.000 2.150 9 E HA -0.167 4.183 4.350 0.000 0.000 0.193 9 E C 1.794 178.413 176.600 0.032 0.000 0.985 9 E CA 0.767 57.182 56.400 0.025 0.000 0.814 9 E CB -0.413 29.298 29.700 0.018 0.000 0.752 9 E HN 0.453 nan 8.360 nan 0.000 0.466 10 E N 0.858 121.084 120.200 0.043 0.000 2.106 10 E HA -0.047 4.303 4.350 0.000 0.000 0.192 10 E C 2.344 178.992 176.600 0.080 0.000 0.984 10 E CA 0.677 57.109 56.400 0.054 0.000 0.806 10 E CB -0.166 29.566 29.700 0.052 0.000 0.750 10 E HN 0.252 nan 8.360 nan 0.000 0.458 11 I N 0.931 121.554 120.570 0.088 0.000 2.226 11 I HA -0.263 3.907 4.170 0.000 0.000 0.245 11 I C 2.572 178.713 176.117 0.039 0.000 1.100 11 I CA 1.033 62.375 61.300 0.069 0.000 1.374 11 I CB -0.248 37.780 38.000 0.046 0.000 1.057 11 I HN 0.037 nan 8.210 nan 0.000 0.413 12 R N 0.514 121.033 120.500 0.032 0.000 2.083 12 R HA -0.240 4.100 4.340 0.000 0.000 0.237 12 R C 2.279 178.590 176.300 0.018 0.000 1.137 12 R CA 1.898 58.011 56.100 0.021 0.000 0.951 12 R CB -0.448 29.863 30.300 0.018 0.000 0.851 12 R HN 0.447 nan 8.270 nan 0.000 0.434 13 E N 0.614 120.827 120.200 0.022 0.000 2.077 13 E HA -0.205 4.145 4.350 0.000 0.000 0.193 13 E C 2.043 178.653 176.600 0.017 0.000 0.989 13 E CA 1.267 57.677 56.400 0.017 0.000 0.800 13 E CB 0.042 29.752 29.700 0.017 0.000 0.746 13 E HN 0.276 nan 8.360 nan 0.000 0.452 14 M N 0.269 119.886 119.600 0.028 0.000 2.132 14 M HA -0.158 4.322 4.480 0.000 0.000 0.263 14 M C 2.419 178.724 176.300 0.009 0.000 1.065 14 M CA 1.201 56.517 55.300 0.026 0.000 1.122 14 M CB -0.213 32.419 32.600 0.053 0.000 1.365 14 M HN 0.176 nan 8.290 nan 0.000 0.411 15 L N -0.558 120.669 121.223 0.008 0.000 2.042 15 L HA -0.232 4.108 4.340 0.000 0.000 0.210 15 L C 2.713 179.579 176.870 -0.006 0.000 1.076 15 L CA 1.420 56.258 54.840 -0.004 0.000 0.749 15 L CB -0.595 41.464 42.059 0.001 0.000 0.893 15 L HN 0.282 nan 8.230 nan 0.000 0.432 16 R N -0.232 120.268 120.500 -0.000 0.000 2.081 16 R HA -0.204 4.137 4.340 0.000 0.000 0.235 16 R C 2.448 178.744 176.300 -0.006 0.000 1.131 16 R CA 1.371 57.470 56.100 -0.002 0.000 0.960 16 R CB -0.081 30.220 30.300 0.001 0.000 0.856 16 R HN 0.066 nan 8.270 nan 0.000 0.436 17 R N 0.190 120.687 120.500 -0.004 0.000 2.115 17 R HA -0.078 4.262 4.340 0.000 0.000 0.230 17 R C 1.786 178.077 176.300 -0.014 0.000 1.111 17 R CA 1.540 57.636 56.100 -0.007 0.000 0.976 17 R CB -0.102 30.197 30.300 -0.002 0.000 0.870 17 R HN 0.294 nan 8.270 nan 0.000 0.445 18 V N -3.356 116.546 119.914 -0.019 0.000 3.647 18 V HA 0.416 4.536 4.120 0.000 0.000 0.279 18 V C 0.987 177.058 176.094 -0.038 0.000 1.314 18 V CA 0.389 62.670 62.300 -0.032 0.000 1.125 18 V CB -0.157 31.642 31.823 -0.041 0.000 0.907 18 V HN 0.342 nan 8.190 nan 0.000 0.434 19 G N 0.074 108.857 108.800 -0.028 0.000 2.182 19 G HA2 0.015 3.975 3.960 0.000 0.000 0.248 19 G HA3 0.015 3.975 3.960 0.000 0.000 0.248 19 G C 0.158 175.040 174.900 -0.030 0.000 1.042 19 G CA 0.296 45.379 45.100 -0.028 0.000 0.775 19 G HN 1.691 nan 8.290 nan 0.000 0.501 20 A N -0.740 122.064 122.820 -0.027 0.000 2.324 20 A HA 0.953 5.273 4.320 0.000 0.000 0.330 20 A C 1.134 178.713 177.584 -0.008 0.000 1.165 20 A CA 0.499 52.522 52.037 -0.023 0.000 0.813 20 A CB 1.449 20.428 19.000 -0.035 0.000 1.197 20 A HN 1.658 nan 8.150 nan 0.000 0.484 21 A N 1.362 124.183 122.820 0.001 0.000 2.072 21 A HA 0.448 4.768 4.320 0.000 0.000 0.216 21 A C 1.042 178.634 177.584 0.013 0.000 1.156 21 A CA 1.451 53.493 52.037 0.007 0.000 0.701 21 A CB -0.433 18.573 19.000 0.011 0.000 0.816 21 A HN 2.059 nan 8.150 nan 0.000 0.458 22 S N -3.248 112.463 115.700 0.018 0.000 2.656 22 S HA 0.417 4.887 4.470 0.000 0.000 0.265 22 S C 0.167 174.790 174.600 0.039 0.000 1.132 22 S CA -0.473 57.743 58.200 0.027 0.000 0.819 22 S CB -0.098 63.122 63.200 0.033 0.000 1.119 22 S HN -0.057 nan 8.310 nan 0.000 0.476 23 L N 1.105 122.360 121.223 0.053 0.000 2.046 23 L HA -0.013 4.327 4.340 0.000 0.000 0.208 23 L C 2.430 179.411 176.870 0.185 0.000 1.077 23 L CA 2.185 57.079 54.840 0.090 0.000 0.747 23 L CB -2.096 40.016 42.059 0.089 0.000 0.896 23 L HN 0.833 nan 8.230 nan 0.000 0.432 24 E N -0.229 120.069 120.200 0.162 0.000 2.204 24 E HA -0.234 4.117 4.350 0.000 0.000 0.195 24 E C 1.786 178.517 176.600 0.218 0.000 0.990 24 E CA 1.095 57.619 56.400 0.208 0.000 0.821 24 E CB -0.278 29.482 29.700 0.101 0.000 0.750 24 E HN 0.428 nan 8.360 nan 0.000 0.477 25 D N -0.139 120.335 120.400 0.124 0.000 2.264 25 D HA -0.078 4.562 4.640 0.000 0.000 0.208 25 D C 1.395 177.730 176.300 0.059 0.000 0.966 25 D CA 0.534 54.584 54.000 0.084 0.000 0.864 25 D CB 0.049 40.874 40.800 0.041 0.000 0.933 25 D HN 0.138 nan 8.370 nan 0.000 0.499 26 L N -0.827 120.393 121.223 -0.005 0.000 2.353 26 L HA -0.077 4.263 4.340 0.000 0.000 0.220 26 L C 0.945 177.627 176.870 -0.312 0.000 1.133 26 L CA 0.590 55.294 54.840 -0.227 0.000 0.798 26 L CB -0.210 41.590 42.059 -0.431 0.000 0.922 26 L HN 0.102 nan 8.230 nan 0.000 0.445 27 F N -1.533 118.481 119.950 0.107 0.000 2.661 27 F HA 0.294 4.821 4.527 0.000 0.000 0.306 27 F C 2.036 177.857 175.800 0.035 0.000 1.094 27 F CA 0.116 58.149 58.000 0.054 0.000 1.254 27 F CB -0.302 38.691 39.000 -0.012 0.000 1.040 27 F HN -0.111 nan 8.300 nan 0.000 0.562 28 A N 0.226 123.191 122.820 0.241 0.000 2.125 28 A HA -0.204 4.116 4.320 0.000 0.000 0.219 28 A C 1.900 179.580 177.584 0.160 0.000 1.156 28 A CA 1.770 53.905 52.037 0.164 0.000 0.671 28 A CB -1.051 18.022 19.000 0.122 0.000 0.794 28 A HN 0.579 nan 8.150 nan 0.000 0.459 29 H N -0.964 118.128 119.070 0.037 0.000 2.539 29 H HA 0.344 4.900 4.556 0.000 0.000 0.269 29 H C 0.256 175.606 175.328 0.037 0.000 0.980 29 H CA -0.316 55.746 56.048 0.024 0.000 1.152 29 H CB -0.796 28.968 29.762 0.003 0.000 1.407 29 H HN 0.346 nan 8.280 nan 0.000 0.564 30 L N 2.949 124.020 121.223 -0.254 0.000 2.399 30 L HA 0.297 4.637 4.340 0.000 0.000 0.266 30 L C -1.897 174.937 176.870 -0.061 0.000 1.114 30 L CA -2.082 52.645 54.840 -0.189 0.000 0.804 30 L CB 0.743 42.717 42.059 -0.142 0.000 1.146 30 L HN -0.002 nan 8.230 nan 0.000 0.451 31 P HA 0.004 nan 4.420 nan 0.000 0.260 31 P C -0.340 176.950 177.300 -0.016 0.000 1.185 31 P CA -0.175 62.914 63.100 -0.018 0.000 0.763 31 P CB 0.551 32.242 31.700 -0.016 0.000 0.776 32 K N 3.016 123.413 120.400 -0.006 0.000 2.173 32 K HA -0.225 4.095 4.320 0.000 0.000 0.207 32 K C 1.758 178.351 176.600 -0.011 0.000 1.046 32 K CA 1.759 58.043 56.287 -0.005 0.000 0.929 32 K CB -0.554 31.947 32.500 0.001 0.000 0.720 32 K HN 0.555 nan 8.250 nan 0.000 0.453 33 E N 1.098 121.291 120.200 -0.012 0.000 2.268 33 E HA -0.156 4.194 4.350 0.000 0.000 0.195 33 E C 1.815 178.403 176.600 -0.020 0.000 0.995 33 E CA 1.307 57.698 56.400 -0.014 0.000 0.836 33 E CB -0.442 29.251 29.700 -0.012 0.000 0.763 33 E HN 0.697 nan 8.360 nan 0.000 0.491 34 I N -1.829 118.726 120.570 -0.025 0.000 3.860 34 I HA 0.191 4.361 4.170 0.000 0.000 0.319 34 I C 0.845 176.935 176.117 -0.045 0.000 1.279 34 I CA -0.320 60.960 61.300 -0.032 0.000 1.220 34 I CB 0.012 37.992 38.000 -0.032 0.000 1.027 34 I HN -0.167 nan 8.210 nan 0.000 0.428 35 L N 1.361 122.559 121.223 -0.042 0.000 2.453 35 L HA 0.253 4.593 4.340 0.000 0.000 0.261 35 L C 0.989 177.825 176.870 -0.056 0.000 1.179 35 L CA -0.284 54.522 54.840 -0.056 0.000 0.813 35 L CB 0.789 42.826 42.059 -0.037 0.000 1.110 35 L HN 0.248 nan 8.230 nan 0.000 0.466 36 S N -0.058 115.598 115.700 -0.073 0.000 3.682 36 S HA -0.093 4.377 4.470 0.000 0.000 0.354 36 S C -1.892 172.675 174.600 -0.055 0.000 1.034 36 S CA -0.233 57.929 58.200 -0.063 0.000 1.084 36 S CB -1.792 61.383 63.200 -0.043 0.000 0.903 36 S HN 0.586 nan 8.310 nan 0.000 0.470 37 P HA 0.222 nan 4.420 nan 0.000 0.268 37 P C -2.393 174.879 177.300 -0.046 0.000 1.205 37 P CA -0.994 62.075 63.100 -0.052 0.000 0.771 37 P CB -0.046 31.619 31.700 -0.057 0.000 0.858 38 P HA 0.273 nan 4.420 nan 0.000 0.244 38 P C -0.253 177.028 177.300 -0.032 0.000 1.769 38 P CA 0.079 63.159 63.100 -0.032 0.000 1.102 38 P CB -0.207 31.478 31.700 -0.026 0.000 1.937 39 I N 2.050 122.598 120.570 -0.037 0.000 2.342 39 I HA 0.194 4.364 4.170 0.000 0.000 0.291 39 I C 0.418 176.516 176.117 -0.032 0.000 1.010 39 I CA -0.302 60.976 61.300 -0.036 0.000 1.308 39 I CB 1.003 38.977 38.000 -0.043 0.000 1.400 39 I HN 0.111 nan 8.210 nan 0.000 0.488 40 D N 7.405 127.789 120.400 -0.027 0.000 2.414 40 D HA 0.546 5.186 4.640 0.000 0.000 0.232 40 D C -1.276 175.009 176.300 -0.025 0.000 1.070 40 D CA -0.232 53.753 54.000 -0.025 0.000 0.839 40 D CB 0.909 41.696 40.800 -0.021 0.000 1.079 40 D HN 0.094 nan 8.370 nan 0.000 0.521 41 L N 4.492 125.699 121.223 -0.027 0.000 2.388 41 L HA 0.583 4.923 4.340 0.000 0.000 0.264 41 L C -1.938 174.915 176.870 -0.028 0.000 0.998 41 L CA -1.940 52.884 54.840 -0.026 0.000 0.817 41 L CB 1.550 43.592 42.059 -0.028 0.000 1.338 41 L HN 0.410 nan 8.230 nan 0.000 0.414 42 P HA 0.139 nan 4.420 nan 0.000 0.269 42 P C -0.621 176.656 177.300 -0.038 0.000 1.215 42 P CA -0.466 62.615 63.100 -0.033 0.000 0.780 42 P CB 0.626 32.305 31.700 -0.034 0.000 0.898 43 E N 2.235 122.411 120.200 -0.041 0.000 2.413 43 E HA 0.106 4.456 4.350 0.000 0.000 0.263 43 E C -1.629 174.936 176.600 -0.059 0.000 1.015 43 E CA -1.205 55.168 56.400 -0.046 0.000 0.916 43 E CB -0.542 29.133 29.700 -0.042 0.000 0.947 43 E HN 0.429 nan 8.360 nan 0.000 0.440 44 P HA 0.042 nan 4.420 nan 0.000 0.266 44 P C -0.494 176.740 177.300 -0.109 0.000 1.193 44 P CA 0.379 63.431 63.100 -0.079 0.000 0.770 44 P CB 0.561 32.217 31.700 -0.073 0.000 0.836 45 L N 3.505 124.643 121.223 -0.141 0.000 2.401 45 L HA 0.465 4.806 4.340 0.000 0.000 0.266 45 L C -2.148 174.560 176.870 -0.270 0.000 0.991 45 L CA -2.474 52.234 54.840 -0.219 0.000 0.818 45 L CB 2.414 44.332 42.059 -0.235 0.000 1.321 45 L HN 0.272 nan 8.230 nan 0.000 0.413 46 P HA 0.030 nan 4.420 nan 0.000 0.272 46 P C 0.184 177.227 177.300 -0.429 0.000 1.230 46 P CA -0.334 62.540 63.100 -0.377 0.000 0.788 46 P CB 0.702 32.155 31.700 -0.411 0.000 0.949 47 E N 2.420 122.500 120.200 -0.199 0.000 2.130 47 E HA -0.216 4.135 4.350 0.000 0.000 0.196 47 E C 1.681 178.248 176.600 -0.056 0.000 0.998 47 E CA 1.340 57.692 56.400 -0.080 0.000 0.806 47 E CB -0.881 28.846 29.700 0.045 0.000 0.738 47 E HN 0.650 nan 8.360 nan 0.000 0.459 48 W N 1.767 123.073 121.300 0.009 0.000 2.425 48 W HA 0.026 4.686 4.660 0.000 0.000 0.277 48 W C 1.699 178.222 176.519 0.005 0.000 1.231 48 W CA 0.909 58.259 57.345 0.008 0.000 1.248 48 W CB -0.513 28.950 29.460 0.005 0.000 1.117 48 W HN 0.030 nan 8.180 nan 0.000 0.568 49 K N 1.685 121.607 120.400 -0.797 0.000 2.116 49 K HA -0.052 4.268 4.320 0.000 0.000 0.203 49 K C 1.969 178.407 176.600 -0.270 0.000 1.052 49 K CA 1.757 57.636 56.287 -0.679 0.000 0.952 49 K CB -0.744 31.127 32.500 -1.049 0.000 0.729 49 K HN 0.023 nan 8.250 nan 0.000 0.446 50 V N 1.231 121.003 119.914 -0.236 0.000 2.343 50 V HA -0.228 3.892 4.120 0.000 0.000 0.247 50 V C 2.284 178.350 176.094 -0.047 0.000 1.051 50 V CA 1.687 63.918 62.300 -0.115 0.000 1.036 50 V CB -0.407 31.366 31.823 -0.083 0.000 0.654 50 V HN 0.280 nan 8.190 nan 0.000 0.451 51 L N -0.308 120.909 121.223 -0.011 0.000 2.056 51 L HA -0.196 4.144 4.340 0.000 0.000 0.207 51 L C 2.607 179.501 176.870 0.041 0.000 1.078 51 L CA 1.904 56.764 54.840 0.034 0.000 0.749 51 L CB -0.500 41.605 42.059 0.076 0.000 0.901 51 L HN 0.433 nan 8.230 nan 0.000 0.433 52 E N 0.041 120.278 120.200 0.062 0.000 2.085 52 E HA -0.248 4.102 4.350 0.000 0.000 0.194 52 E C 2.017 178.635 176.600 0.029 0.000 0.994 52 E CA 1.215 57.659 56.400 0.073 0.000 0.801 52 E CB 0.193 29.969 29.700 0.126 0.000 0.743 52 E HN 0.348 nan 8.360 nan 0.000 0.453 53 E N 0.319 120.517 120.200 -0.003 0.000 2.110 53 E HA -0.170 4.180 4.350 0.000 0.000 0.193 53 E C 2.112 178.706 176.600 -0.010 0.000 0.988 53 E CA 0.506 56.898 56.400 -0.014 0.000 0.804 53 E CB -0.155 29.523 29.700 -0.037 0.000 0.745 53 E HN 0.286 nan 8.360 nan 0.000 0.458 54 L N 0.875 122.094 121.223 -0.007 0.000 2.017 54 L HA -0.127 4.213 4.340 0.000 0.000 0.208 54 L C 2.366 179.234 176.870 -0.004 0.000 1.073 54 L CA 1.516 56.352 54.840 -0.007 0.000 0.745 54 L CB -1.025 41.033 42.059 -0.002 0.000 0.894 54 L HN 0.095 nan 8.230 nan 0.000 0.432 55 R N -0.776 119.729 120.500 0.008 0.000 2.120 55 R HA -0.142 4.199 4.340 0.000 0.000 0.234 55 R C 2.300 178.602 176.300 0.005 0.000 1.123 55 R CA 0.998 57.105 56.100 0.010 0.000 0.975 55 R CB -0.187 30.127 30.300 0.023 0.000 0.866 55 R HN 0.394 nan 8.270 nan 0.000 0.446 56 R N 0.449 120.952 120.500 0.005 0.000 2.075 56 R HA -0.067 4.273 4.340 0.000 0.000 0.232 56 R C 2.364 178.658 176.300 -0.009 0.000 1.126 56 R CA 1.140 57.241 56.100 0.002 0.000 0.963 56 R CB -0.320 29.982 30.300 0.003 0.000 0.858 56 R HN 0.202 nan 8.270 nan 0.000 0.435 57 L N 0.058 121.271 121.223 -0.016 0.000 2.056 57 L HA -0.128 4.212 4.340 0.000 0.000 0.207 57 L C 2.704 179.553 176.870 -0.036 0.000 1.078 57 L CA 1.217 56.040 54.840 -0.029 0.000 0.749 57 L CB -0.639 41.399 42.059 -0.035 0.000 0.901 57 L HN 0.240 nan 8.230 nan 0.000 0.433 58 A N 0.203 123.006 122.820 -0.029 0.000 1.933 58 A HA -0.169 4.151 4.320 0.000 0.000 0.218 58 A C 2.498 180.070 177.584 -0.020 0.000 1.175 58 A CA 1.671 53.690 52.037 -0.030 0.000 0.628 58 A CB -0.675 18.314 19.000 -0.018 0.000 0.814 58 A HN 0.406 nan 8.150 nan 0.000 0.444 59 A N -0.857 121.956 122.820 -0.012 0.000 2.070 59 A HA -0.183 4.137 4.320 0.000 0.000 0.220 59 A C 2.018 179.598 177.584 -0.008 0.000 1.159 59 A CA 1.526 53.560 52.037 -0.006 0.000 0.656 59 A CB -0.457 18.543 19.000 -0.001 0.000 0.800 59 A HN 0.688 nan 8.150 nan 0.000 0.453 60 Q N -0.039 119.751 119.800 -0.016 0.000 2.311 60 Q HA -0.020 4.320 4.340 0.000 0.000 0.203 60 Q C -0.034 175.955 176.000 -0.017 0.000 0.954 60 Q CA 0.243 56.036 55.803 -0.017 0.000 0.885 60 Q CB -0.001 28.722 28.738 -0.025 0.000 0.963 60 Q HN 0.628 nan 8.270 nan 0.000 0.471 61 N N 0.538 119.223 118.700 -0.024 0.000 2.463 61 N HA 0.217 4.957 4.740 0.000 0.000 0.270 61 N C -0.872 174.654 175.510 0.026 0.000 1.205 61 N CA -0.185 52.855 53.050 -0.016 0.000 0.974 61 N CB 1.094 39.547 38.487 -0.057 0.000 1.197 61 N HN 0.072 nan 8.380 nan 0.000 0.504 62 L N 2.673 123.944 121.223 0.081 0.000 2.277 62 L HA 0.362 4.702 4.340 0.000 0.000 0.284 62 L C -2.098 174.922 176.870 0.249 0.000 1.028 62 L CA -1.668 53.255 54.840 0.139 0.000 0.835 62 L CB 1.266 43.400 42.059 0.125 0.000 1.215 62 L HN 0.292 nan 8.230 nan 0.000 0.425 63 P HA -0.019 nan 4.420 nan 0.000 0.265 63 P C -0.211 177.198 177.300 0.182 0.000 1.187 63 P CA -0.116 63.059 63.100 0.124 0.000 0.766 63 P CB 1.093 32.846 31.700 0.088 0.000 0.820 64 A N 1.823 124.652 122.820 0.014 0.000 2.415 64 A HA 0.036 4.356 4.320 0.000 0.000 0.248 64 A C 0.775 178.370 177.584 0.019 0.000 1.299 64 A CA -0.011 51.956 52.037 -0.115 0.000 0.899 64 A CB -1.176 17.644 19.000 -0.301 0.000 0.997 64 A HN 0.702 nan 8.150 nan 0.000 0.506 65 H N 1.394 120.463 119.070 -0.003 0.000 2.964 65 H HA 0.164 4.720 4.556 0.000 0.000 0.328 65 H C 0.619 175.918 175.328 -0.049 0.000 1.030 65 H CA 1.142 57.173 56.048 -0.028 0.000 1.445 65 H CB 0.118 29.873 29.762 -0.011 0.000 1.449 65 H HN 0.355 nan 8.280 nan 0.000 0.581 66 K N 1.274 121.284 120.400 -0.649 0.000 3.230 66 K HA -0.196 4.124 4.320 0.000 0.000 0.285 66 K C -0.134 176.298 176.600 -0.280 0.000 1.196 66 K CA 0.497 56.440 56.287 -0.574 0.000 0.838 66 K CB -1.604 30.625 32.500 -0.452 0.000 1.262 66 K HN 0.703 nan 8.250 nan 0.000 0.492 67 A N 0.030 122.742 122.820 -0.180 0.000 2.366 67 A HA 0.449 4.770 4.320 0.000 0.000 0.249 67 A C 0.515 177.999 177.584 -0.167 0.000 1.084 67 A CA 0.063 52.073 52.037 -0.044 0.000 0.794 67 A CB 0.005 19.002 19.000 -0.005 0.000 1.034 67 A HN 0.252 nan 8.150 nan 0.000 0.491 68 F N 0.222 120.272 119.950 0.166 0.000 2.647 68 F HA 0.274 4.801 4.527 0.000 0.000 0.300 68 F C 0.260 176.053 175.800 -0.012 0.000 1.106 68 F CA -0.010 58.035 58.000 0.075 0.000 1.313 68 F CB -0.133 38.920 39.000 0.089 0.000 1.007 68 F HN 0.264 nan 8.300 nan 0.000 0.536 69 L N -0.342 120.931 121.223 0.083 0.000 2.417 69 L HA 0.551 4.891 4.340 0.000 0.000 0.268 69 L C 1.023 177.855 176.870 -0.064 0.000 1.158 69 L CA -0.109 54.714 54.840 -0.030 0.000 0.819 69 L CB 0.601 42.648 42.059 -0.019 0.000 1.112 69 L HN 0.240 nan 8.230 nan 0.000 0.458 70 G N -0.666 108.061 108.800 -0.121 0.000 3.291 70 G HA2 0.514 4.474 3.960 0.000 0.000 0.173 70 G HA3 0.514 4.474 3.960 0.000 0.000 0.173 70 G C 0.378 175.231 174.900 -0.078 0.000 1.099 70 G CA -0.155 44.880 45.100 -0.109 0.000 0.794 70 G HN 0.922 nan 8.290 nan 0.000 0.651 71 G N -1.627 107.107 108.800 -0.109 0.000 2.149 71 G HA2 0.319 4.279 3.960 0.000 0.000 0.235 71 G HA3 0.319 4.279 3.960 0.000 0.000 0.235 71 G C 1.400 176.457 174.900 0.260 0.000 1.018 71 G CA 1.120 46.245 45.100 0.042 0.000 0.728 71 G HN 2.492 nan 8.290 nan 0.000 0.508 72 G N -3.131 105.751 108.800 0.136 0.000 2.253 72 G HA2 0.107 4.067 3.960 0.000 0.000 0.209 72 G HA3 0.107 4.067 3.960 0.000 0.000 0.209 72 G C 0.178 175.104 174.900 0.043 0.000 0.997 72 G CA 0.367 45.540 45.100 0.123 0.000 0.640 72 G HN 1.658 nan 8.290 nan 0.000 0.496 73 V N 1.398 121.329 119.914 0.027 0.000 2.638 73 V HA 0.816 4.936 4.120 0.000 0.000 0.306 73 V C -0.003 176.079 176.094 -0.020 0.000 1.052 73 V CA -0.816 61.473 62.300 -0.018 0.000 0.885 73 V CB 1.785 33.599 31.823 -0.016 0.000 0.999 73 V HN 0.435 nan 8.190 nan 0.000 0.424 74 R N 1.717 122.199 120.500 -0.029 0.000 2.808 74 R HA 0.526 4.866 4.340 0.000 0.000 0.272 74 R C -0.553 175.635 176.300 -0.187 0.000 0.995 74 R CA -0.758 55.269 56.100 -0.122 0.000 0.917 74 R CB 2.063 32.244 30.300 -0.198 0.000 1.217 74 R HN 0.596 nan 8.270 nan 0.000 0.471 75 S N 1.785 117.334 115.700 -0.251 0.000 3.072 75 S HA 0.120 4.590 4.470 0.000 0.000 0.306 75 S C -0.352 174.061 174.600 -0.312 0.000 1.207 75 S CA -0.375 57.688 58.200 -0.228 0.000 1.008 75 S CB -0.448 62.597 63.200 -0.257 0.000 1.390 75 S HN 0.365 nan 8.310 nan 0.000 0.523 76 H N 2.084 121.125 119.070 -0.049 0.000 2.508 76 H HA 0.206 4.762 4.556 0.000 0.000 0.344 76 H C 0.085 175.451 175.328 0.063 0.000 1.192 76 H CA -0.466 55.580 56.048 -0.004 0.000 1.290 76 H CB 0.708 30.465 29.762 -0.009 0.000 1.571 76 H HN 0.652 nan 8.280 nan 0.000 0.555 77 H N 0.736 119.913 119.070 0.179 0.000 2.929 77 H HA 0.107 4.663 4.556 0.000 0.000 0.317 77 H C -0.830 174.601 175.328 0.172 0.000 1.031 77 H CA -0.060 56.083 56.048 0.158 0.000 1.466 77 H CB 0.098 29.951 29.762 0.153 0.000 1.482 77 H HN 0.111 nan 8.280 nan 0.000 0.561 78 V N 9.698 129.413 119.914 -0.332 0.000 2.304 78 V HA 0.216 4.336 4.120 0.000 0.000 0.269 78 V C -1.958 173.810 176.094 -0.544 0.000 1.036 78 V CA -1.621 60.516 62.300 -0.273 0.000 0.840 78 V CB 0.714 32.481 31.823 -0.093 0.000 1.036 78 V HN 0.842 nan 8.190 nan 0.000 0.466 79 P HA 0.156 nan 4.420 nan 0.000 0.266 79 P C -2.076 175.186 177.300 -0.063 0.000 1.215 79 P CA -1.331 61.627 63.100 -0.235 0.000 0.763 79 P CB 0.995 32.703 31.700 0.013 0.000 0.806 80 P HA -0.153 nan 4.420 nan 0.000 0.218 80 P C 1.569 178.887 177.300 0.029 0.000 1.148 80 P CA 0.710 63.822 63.100 0.020 0.000 0.822 80 P CB 0.007 31.735 31.700 0.047 0.000 0.784 81 V N -0.005 119.932 119.914 0.039 0.000 2.407 81 V HA -0.181 3.939 4.120 0.000 0.000 0.248 81 V C 2.445 178.558 176.094 0.031 0.000 1.055 81 V CA 1.696 64.018 62.300 0.036 0.000 1.049 81 V CB -0.817 31.027 31.823 0.036 0.000 0.662 81 V HN -0.095 nan 8.190 nan 0.000 0.455 82 V N -0.069 119.864 119.914 0.032 0.000 2.307 82 V HA -0.205 3.915 4.120 0.000 0.000 0.245 82 V C 2.645 178.750 176.094 0.019 0.000 1.045 82 V CA 2.074 64.392 62.300 0.030 0.000 1.024 82 V CB -0.719 31.144 31.823 0.067 0.000 0.651 82 V HN 0.519 nan 8.190 nan 0.000 0.449 83 Q N -0.077 119.734 119.800 0.018 0.000 2.124 83 Q HA -0.116 4.224 4.340 0.000 0.000 0.202 83 Q C 2.426 178.442 176.000 0.027 0.000 0.977 83 Q CA 1.836 57.649 55.803 0.017 0.000 0.850 83 Q CB -0.740 28.005 28.738 0.012 0.000 0.901 83 Q HN 0.646 nan 8.270 nan 0.000 0.429 84 A N 0.874 123.713 122.820 0.032 0.000 1.877 84 A HA -0.150 4.170 4.320 0.000 0.000 0.216 84 A C 2.258 179.879 177.584 0.061 0.000 1.186 84 A CA 1.210 53.272 52.037 0.042 0.000 0.620 84 A CB -0.719 18.304 19.000 0.039 0.000 0.822 84 A HN 0.320 nan 8.150 nan 0.000 0.443 85 L N -0.951 120.309 121.223 0.061 0.000 2.056 85 L HA -0.131 4.209 4.340 0.000 0.000 0.207 85 L C 2.943 179.893 176.870 0.133 0.000 1.078 85 L CA 1.018 55.918 54.840 0.101 0.000 0.749 85 L CB -0.501 41.597 42.059 0.064 0.000 0.901 85 L HN 0.410 nan 8.230 nan 0.000 0.433 86 A N -0.176 122.667 122.820 0.039 0.000 2.168 86 A HA 0.066 4.386 4.320 0.000 0.000 0.215 86 A C 2.266 179.904 177.584 0.090 0.000 1.152 86 A CA 1.232 53.275 52.037 0.010 0.000 0.716 86 A CB -0.442 18.529 19.000 -0.049 0.000 0.794 86 A HN 0.381 nan 8.150 nan 0.000 0.465 87 A N -0.562 122.312 122.820 0.091 0.000 2.218 87 A HA 0.164 4.484 4.320 0.000 0.000 0.209 87 A C 1.008 178.648 177.584 0.094 0.000 1.168 87 A CA -0.375 51.708 52.037 0.077 0.000 0.804 87 A CB -0.091 18.940 19.000 0.050 0.000 0.834 87 A HN 0.315 nan 8.150 nan 0.000 0.482 88 R N 0.198 120.788 120.500 0.149 0.000 2.502 88 R HA 0.026 4.366 4.340 0.000 0.000 0.292 88 R C 1.501 177.831 176.300 0.050 0.000 0.998 88 R CA 0.556 56.713 56.100 0.095 0.000 1.056 88 R CB -0.024 30.340 30.300 0.106 0.000 0.939 88 R HN 0.312 nan 8.270 nan 0.000 0.411 89 G N 3.176 111.975 108.800 -0.001 0.000 2.503 89 G HA2 -0.321 3.639 3.960 0.000 0.000 0.221 89 G HA3 -0.321 3.639 3.960 0.000 0.000 0.221 89 G C 1.015 175.890 174.900 -0.042 0.000 1.131 89 G CA 0.719 45.811 45.100 -0.014 0.000 0.756 89 G HN 0.570 nan 8.290 nan 0.000 0.572 90 E N 0.010 120.131 120.200 -0.131 0.000 2.106 90 E HA -0.016 4.334 4.350 0.000 0.000 0.192 90 E C 2.075 178.585 176.600 -0.151 0.000 0.984 90 E CA 0.826 57.106 56.400 -0.200 0.000 0.806 90 E CB -0.295 29.191 29.700 -0.357 0.000 0.750 90 E HN 0.494 nan 8.360 nan 0.000 0.458 91 F N -0.068 119.869 119.950 -0.021 0.000 2.187 91 F HA 0.002 4.529 4.527 0.000 0.000 0.295 91 F C 2.042 177.822 175.800 -0.035 0.000 1.091 91 F CA 0.371 58.350 58.000 -0.034 0.000 1.308 91 F CB -0.723 38.255 39.000 -0.038 0.000 1.030 91 F HN 0.033 nan 8.300 nan 0.000 0.487 92 L N 0.110 121.436 121.223 0.170 0.000 2.046 92 L HA -0.147 4.193 4.340 0.000 0.000 0.208 92 L C 2.248 179.148 176.870 0.050 0.000 1.077 92 L CA 2.385 57.276 54.840 0.085 0.000 0.747 92 L CB -1.039 41.056 42.059 0.061 0.000 0.896 92 L HN 0.316 nan 8.230 nan 0.000 0.432 93 T N -3.105 111.471 114.554 0.037 0.000 3.092 93 T HA 0.531 4.881 4.350 0.000 0.000 0.258 93 T C 0.684 175.410 174.700 0.043 0.000 1.031 93 T CA 0.038 62.155 62.100 0.029 0.000 0.925 93 T CB -0.361 68.512 68.868 0.009 0.000 1.036 93 T HN 0.330 nan 8.240 nan 0.000 0.544 94 A N 1.051 123.898 122.820 0.046 0.000 2.332 94 A HA 0.602 4.922 4.320 0.000 0.000 0.258 94 A C -0.393 177.245 177.584 0.091 0.000 1.087 94 A CA -0.670 51.401 52.037 0.055 0.000 0.802 94 A CB 0.232 19.250 19.000 0.030 0.000 1.042 94 A HN 0.540 nan 8.150 nan 0.000 0.489 95 Y N 0.426 120.710 120.300 -0.026 0.000 2.480 95 Y HA 0.445 4.995 4.550 0.000 0.000 0.323 95 Y C 0.924 176.767 175.900 -0.095 0.000 1.267 95 Y CA -0.315 57.762 58.100 -0.038 0.000 1.336 95 Y CB 0.664 39.117 38.460 -0.012 0.000 1.361 95 Y HN 0.703 nan 8.280 nan 0.000 0.518 96 T N 5.838 119.661 114.554 -1.218 0.000 2.891 96 T HA 0.045 4.395 4.350 0.000 0.000 0.296 96 T C -2.430 171.865 174.700 -0.675 0.000 1.025 96 T CA -0.413 61.092 62.100 -0.992 0.000 1.149 96 T CB -0.090 67.955 68.868 -1.371 0.000 1.007 96 T HN 0.391 nan 8.240 nan 0.000 0.528 97 P HA 0.087 nan 4.420 nan 0.000 0.241 97 P C -0.337 176.856 177.300 -0.177 0.000 1.760 97 P CA -0.083 62.883 63.100 -0.223 0.000 1.081 97 P CB -0.175 31.452 31.700 -0.122 0.000 1.975 98 Y N -0.011 120.305 120.300 0.027 0.000 2.523 98 Y HA 0.133 4.684 4.550 0.000 0.000 0.279 98 Y C 1.474 177.389 175.900 0.024 0.000 1.139 98 Y CA 0.485 58.599 58.100 0.023 0.000 1.296 98 Y CB 0.159 38.639 38.460 0.033 0.000 1.045 98 Y HN 0.194 nan 8.280 nan 0.000 0.538 99 Q N 1.151 121.047 119.800 0.160 0.000 2.721 99 Q HA 0.245 4.585 4.340 0.000 0.000 0.257 99 Q C -1.815 174.226 176.000 0.069 0.000 1.070 99 Q CA -2.732 53.132 55.803 0.102 0.000 0.910 99 Q CB 0.723 29.514 28.738 0.089 0.000 1.163 99 Q HN 0.066 nan 8.270 nan 0.000 0.501 100 P HA -0.244 nan 4.420 nan 0.000 0.217 100 P C 0.158 177.484 177.300 0.043 0.000 1.151 100 P CA 1.312 64.445 63.100 0.055 0.000 0.849 100 P CB 0.638 32.372 31.700 0.057 0.000 0.787 101 E N -0.007 120.213 120.200 0.034 0.000 2.160 101 E HA -0.127 4.223 4.350 0.000 0.000 0.195 101 E C 1.774 178.387 176.600 0.021 0.000 0.991 101 E CA 1.544 57.958 56.400 0.023 0.000 0.810 101 E CB -0.837 28.873 29.700 0.017 0.000 0.742 101 E HN 0.363 nan 8.360 nan 0.000 0.466 102 V N -3.624 116.304 119.914 0.024 0.000 3.319 102 V HA 0.324 4.444 4.120 0.000 0.000 0.317 102 V C 0.747 176.849 176.094 0.014 0.000 1.411 102 V CA -0.056 62.253 62.300 0.015 0.000 1.112 102 V CB 0.730 32.560 31.823 0.013 0.000 1.031 102 V HN -0.005 nan 8.190 nan 0.000 0.448 103 S N 0.591 116.306 115.700 0.026 0.000 2.754 103 S HA 0.244 4.714 4.470 0.000 0.000 0.247 103 S C 1.299 175.927 174.600 0.046 0.000 1.031 103 S CA -0.358 57.857 58.200 0.025 0.000 1.014 103 S CB 0.376 63.588 63.200 0.019 0.000 0.918 103 S HN 0.462 nan 8.310 nan 0.000 0.519 104 Q N 1.196 121.031 119.800 0.058 0.000 2.226 104 Q HA -0.029 4.311 4.340 0.000 0.000 0.204 104 Q C 2.125 178.180 176.000 0.093 0.000 0.975 104 Q CA 1.335 57.198 55.803 0.101 0.000 0.866 104 Q CB -0.661 28.140 28.738 0.106 0.000 0.915 104 Q HN 0.632 nan 8.270 nan 0.000 0.440 105 G N 0.376 109.216 108.800 0.065 0.000 2.453 105 G HA2 -0.210 3.750 3.960 0.000 0.000 0.215 105 G HA3 -0.210 3.750 3.960 0.000 0.000 0.215 105 G C 1.597 176.611 174.900 0.189 0.000 1.201 105 G CA 1.051 46.213 45.100 0.102 0.000 0.784 105 G HN 0.286 nan 8.290 nan 0.000 0.545 106 V N 0.679 120.689 119.914 0.161 0.000 2.358 106 V HA -0.089 4.031 4.120 0.000 0.000 0.246 106 V C 2.868 178.985 176.094 0.039 0.000 1.047 106 V CA 1.030 63.409 62.300 0.131 0.000 1.035 106 V CB -0.408 31.459 31.823 0.073 0.000 0.658 106 V HN 0.182 nan 8.190 nan 0.000 0.452 107 L N -0.149 121.099 121.223 0.041 0.000 1.989 107 L HA -0.219 4.121 4.340 0.000 0.000 0.211 107 L C 2.521 179.352 176.870 -0.065 0.000 1.071 107 L CA 2.090 56.955 54.840 0.042 0.000 0.749 107 L CB -1.429 40.706 42.059 0.127 0.000 0.890 107 L HN 0.443 nan 8.230 nan 0.000 0.431 108 Q N -1.106 118.604 119.800 -0.150 0.000 2.084 108 Q HA -0.189 4.151 4.340 0.000 0.000 0.202 108 Q C 2.149 178.000 176.000 -0.249 0.000 0.978 108 Q CA 1.775 57.264 55.803 -0.523 0.000 0.844 108 Q CB 0.024 28.585 28.738 -0.294 0.000 0.898 108 Q HN 0.500 nan 8.270 nan 0.000 0.426 109 A N -0.087 122.680 122.820 -0.088 0.000 1.902 109 A HA -0.181 4.139 4.320 0.000 0.000 0.217 109 A C 2.196 179.744 177.584 -0.060 0.000 1.181 109 A CA 1.959 53.954 52.037 -0.071 0.000 0.623 109 A CB -0.933 18.015 19.000 -0.085 0.000 0.818 109 A HN 0.479 nan 8.150 nan 0.000 0.443 110 T N -0.965 113.561 114.554 -0.047 0.000 2.777 110 T HA -0.100 4.250 4.350 0.000 0.000 0.266 110 T C 1.594 176.341 174.700 0.077 0.000 1.040 110 T CA 1.429 63.531 62.100 0.003 0.000 1.141 110 T CB -0.378 68.481 68.868 -0.015 0.000 0.868 110 T HN 0.495 nan 8.240 nan 0.000 0.444 111 F N 2.160 122.016 119.950 -0.156 0.000 2.171 111 F HA -0.088 4.439 4.527 0.000 0.000 0.300 111 F C 2.184 177.898 175.800 -0.142 0.000 1.090 111 F CA 1.328 59.224 58.000 -0.174 0.000 1.293 111 F CB -0.205 38.520 39.000 -0.458 0.000 1.013 111 F HN 0.191 nan 8.300 nan 0.000 0.486 112 E N -1.090 119.061 120.200 -0.082 0.000 2.106 112 E HA -0.250 4.100 4.350 0.000 0.000 0.192 112 E C 1.977 178.490 176.600 -0.145 0.000 0.984 112 E CA 1.355 57.678 56.400 -0.129 0.000 0.806 112 E CB -0.606 29.067 29.700 -0.045 0.000 0.750 112 E HN 0.654 nan 8.360 nan 0.000 0.458 113 Y N 2.217 122.403 120.300 -0.191 0.000 2.145 113 Y HA -0.274 4.276 4.550 0.000 0.000 0.286 113 Y C 2.146 177.935 175.900 -0.185 0.000 1.145 113 Y CA 1.893 59.883 58.100 -0.184 0.000 1.148 113 Y CB -0.225 38.116 38.460 -0.199 0.000 0.981 113 Y HN -0.039 nan 8.280 nan 0.000 0.507 114 Q N -0.428 119.187 119.800 -0.308 0.000 2.077 114 Q HA -0.201 4.139 4.340 0.000 0.000 0.206 114 Q C 2.155 177.900 176.000 -0.424 0.000 0.989 114 Q CA 2.524 58.096 55.803 -0.386 0.000 0.853 114 Q CB -0.418 28.194 28.738 -0.210 0.000 0.907 114 Q HN 0.491 nan 8.270 nan 0.000 0.418 115 T N 0.938 115.224 114.554 -0.447 0.000 2.746 115 T HA -0.144 4.206 4.350 0.000 0.000 0.267 115 T C 1.833 176.357 174.700 -0.294 0.000 1.039 115 T CA 1.305 63.178 62.100 -0.378 0.000 1.142 115 T CB -0.148 68.484 68.868 -0.392 0.000 0.866 115 T HN 0.238 nan 8.240 nan 0.000 0.444 116 M N 0.236 119.656 119.600 -0.300 0.000 2.132 116 M HA -0.030 4.450 4.480 0.000 0.000 0.263 116 M C 2.125 178.238 176.300 -0.312 0.000 1.065 116 M CA 1.245 56.394 55.300 -0.253 0.000 1.122 116 M CB -0.392 32.089 32.600 -0.199 0.000 1.365 116 M HN 0.158 nan 8.290 nan 0.000 0.411 117 I N 0.587 120.878 120.570 -0.464 0.000 2.179 117 I HA -0.211 3.960 4.170 0.000 0.000 0.242 117 I C 2.752 178.652 176.117 -0.362 0.000 1.088 117 I CA 1.580 62.572 61.300 -0.513 0.000 1.357 117 I CB -1.622 35.990 38.000 -0.648 0.000 1.051 117 I HN 0.210 nan 8.210 nan 0.000 0.409 118 A N 0.473 123.124 122.820 -0.282 0.000 1.865 118 A HA -0.215 4.105 4.320 0.000 0.000 0.217 118 A C 2.227 179.720 177.584 -0.152 0.000 1.191 118 A CA 1.629 53.559 52.037 -0.178 0.000 0.623 118 A CB -0.546 18.359 19.000 -0.159 0.000 0.826 118 A HN 0.360 nan 8.150 nan 0.000 0.444 119 E N -0.575 119.527 120.200 -0.163 0.000 2.058 119 E HA -0.179 4.171 4.350 0.000 0.000 0.194 119 E C 1.990 178.516 176.600 -0.123 0.000 0.997 119 E CA 1.068 57.393 56.400 -0.125 0.000 0.801 119 E CB -0.560 29.069 29.700 -0.119 0.000 0.746 119 E HN 0.446 nan 8.360 nan 0.000 0.450 120 L N 0.720 121.842 121.223 -0.167 0.000 2.042 120 L HA -0.135 4.205 4.340 0.000 0.000 0.210 120 L C 2.118 178.905 176.870 -0.138 0.000 1.076 120 L CA 2.011 56.753 54.840 -0.164 0.000 0.749 120 L CB -0.732 41.180 42.059 -0.245 0.000 0.893 120 L HN 0.063 nan 8.230 nan 0.000 0.432 121 A N -1.636 121.092 122.820 -0.154 0.000 2.208 121 A HA 0.341 4.661 4.320 0.000 0.000 0.209 121 A C 1.725 179.299 177.584 -0.016 0.000 1.161 121 A CA 0.734 52.734 52.037 -0.060 0.000 0.782 121 A CB -0.779 18.206 19.000 -0.025 0.000 0.816 121 A HN 0.696 nan 8.150 nan 0.000 0.477 122 G N -1.383 107.392 108.800 -0.042 0.000 2.153 122 G HA2 -0.233 3.727 3.960 0.000 0.000 0.252 122 G HA3 -0.233 3.727 3.960 0.000 0.000 0.252 122 G C 0.166 175.062 174.900 -0.007 0.000 0.994 122 G CA 0.732 45.817 45.100 -0.026 0.000 0.698 122 G HN 0.444 nan 8.290 nan 0.000 0.521 123 L N -1.369 119.848 121.223 -0.011 0.000 2.421 123 L HA 0.576 4.916 4.340 0.000 0.000 0.267 123 L C 1.628 178.485 176.870 -0.022 0.000 1.036 123 L CA -0.831 54.013 54.840 0.006 0.000 0.829 123 L CB 0.628 42.709 42.059 0.038 0.000 1.437 123 L HN 0.163 nan 8.230 nan 0.000 0.488 124 E N 0.268 120.458 120.200 -0.015 0.000 2.162 124 E HA 0.142 4.492 4.350 0.000 0.000 0.193 124 E C -0.099 176.477 176.600 -0.041 0.000 0.953 124 E CA 0.482 56.863 56.400 -0.032 0.000 0.849 124 E CB 0.655 30.335 29.700 -0.032 0.000 0.810 124 E HN 0.471 nan 8.360 nan 0.000 0.470 125 I N -2.715 117.841 120.570 -0.023 0.000 3.174 125 I HA 0.815 4.986 4.170 0.000 0.000 0.313 125 I C -1.356 174.753 176.117 -0.013 0.000 1.155 125 I CA -1.453 59.831 61.300 -0.025 0.000 0.977 125 I CB 2.430 40.434 38.000 0.007 0.000 1.248 125 I HN -0.144 nan 8.210 nan 0.000 0.453 126 A N 2.163 124.970 122.820 -0.021 0.000 2.604 126 A HA 0.652 4.972 4.320 0.000 0.000 0.295 126 A C -1.162 176.450 177.584 0.046 0.000 1.067 126 A CA -0.757 51.285 52.037 0.008 0.000 0.683 126 A CB 1.479 20.434 19.000 -0.074 0.000 1.281 126 A HN 0.949 nan 8.150 nan 0.000 0.407 127 N N 0.620 119.379 118.700 0.099 0.000 2.366 127 N HA 0.500 5.240 4.740 0.000 0.000 0.277 127 N C 0.880 176.510 175.510 0.199 0.000 1.275 127 N CA 0.066 53.184 53.050 0.114 0.000 0.964 127 N CB 0.548 39.085 38.487 0.084 0.000 1.167 127 N HN 0.868 nan 8.380 nan 0.000 0.568 128 A N -1.201 121.707 122.820 0.147 0.000 2.239 128 A HA 0.280 4.600 4.320 0.000 0.000 0.209 128 A C 0.040 177.642 177.584 0.030 0.000 1.171 128 A CA 0.817 52.928 52.037 0.124 0.000 0.768 128 A CB -1.475 17.530 19.000 0.009 0.000 0.790 128 A HN 1.582 nan 8.150 nan 0.000 0.478 129 S N -3.119 112.660 115.700 0.131 0.000 2.769 129 S HA 0.138 4.608 4.470 0.000 0.000 0.269 129 S C -0.929 173.693 174.600 0.036 0.000 0.604 129 S CA -0.620 57.653 58.200 0.122 0.000 1.254 129 S CB -0.648 62.501 63.200 -0.085 0.000 1.487 129 S HN 0.364 nan 8.310 nan 0.000 0.535 130 M N 1.192 120.827 119.600 0.058 0.000 2.821 130 M HA 0.482 4.962 4.480 0.000 0.000 0.304 130 M C 0.566 176.853 176.300 -0.022 0.000 1.233 130 M CA -0.797 54.430 55.300 -0.122 0.000 0.851 130 M CB 0.258 32.773 32.600 -0.141 0.000 1.723 130 M HN 0.872 nan 8.290 nan 0.000 0.493 131 Y N 0.965 121.265 120.300 0.000 0.000 2.181 131 Y HA -0.157 4.393 4.550 0.000 0.000 0.288 131 Y C 1.184 177.074 175.900 -0.016 0.000 1.146 131 Y CA 0.972 59.069 58.100 -0.005 0.000 1.164 131 Y CB -0.424 38.021 38.460 -0.025 0.000 0.982 131 Y HN 0.674 nan 8.280 nan 0.000 0.515 132 D N -4.078 116.364 120.400 0.071 0.000 2.792 132 D HA 0.181 4.821 4.640 0.000 0.000 0.335 132 D C 1.274 177.442 176.300 -0.220 0.000 1.353 132 D CA -0.003 53.964 54.000 -0.056 0.000 0.839 132 D CB 0.437 41.202 40.800 -0.059 0.000 1.396 132 D HN 0.055 nan 8.370 nan 0.000 0.479 133 G N -0.036 108.583 108.800 -0.302 0.000 2.421 133 G HA2 -0.045 3.915 3.960 0.000 0.000 0.216 133 G HA3 -0.045 3.915 3.960 0.000 0.000 0.216 133 G C 1.411 175.804 174.900 -0.846 0.000 1.171 133 G CA 2.112 46.956 45.100 -0.428 0.000 0.775 133 G HN 0.746 nan 8.290 nan 0.000 0.543 134 A N 0.845 122.935 122.820 -1.217 0.000 1.877 134 A HA -0.071 4.249 4.320 0.000 0.000 0.216 134 A C 2.674 179.912 177.584 -0.576 0.000 1.186 134 A CA 2.979 54.348 52.037 -1.113 0.000 0.620 134 A CB -1.211 17.313 19.000 -0.794 0.000 0.822 134 A HN 0.560 nan 8.150 nan 0.000 0.443 135 T N -2.236 112.071 114.554 -0.412 0.000 2.904 135 T HA 0.163 4.513 4.350 0.000 0.000 0.267 135 T C 1.907 176.364 174.700 -0.405 0.000 1.059 135 T CA 1.446 63.313 62.100 -0.389 0.000 1.137 135 T CB -0.485 68.317 68.868 -0.108 0.000 0.879 135 T HN 0.553 nan 8.240 nan 0.000 0.467 136 A N 1.827 124.441 122.820 -0.344 0.000 1.902 136 A HA 0.109 4.429 4.320 0.000 0.000 0.217 136 A C 2.306 179.714 177.584 -0.292 0.000 1.181 136 A CA 1.580 53.440 52.037 -0.295 0.000 0.623 136 A CB -0.930 17.889 19.000 -0.301 0.000 0.818 136 A HN 0.474 nan 8.150 nan 0.000 0.443 137 L N -0.043 120.993 121.223 -0.312 0.000 2.012 137 L HA -0.084 4.256 4.340 0.000 0.000 0.210 137 L C 2.623 179.346 176.870 -0.246 0.000 1.073 137 L CA 2.384 57.084 54.840 -0.232 0.000 0.748 137 L CB -1.057 40.909 42.059 -0.156 0.000 0.891 137 L HN 0.342 nan 8.230 nan 0.000 0.431 138 A N -0.719 121.887 122.820 -0.357 0.000 1.883 138 A HA -0.203 4.117 4.320 0.000 0.000 0.217 138 A C 2.148 179.540 177.584 -0.321 0.000 1.186 138 A CA 1.848 53.637 52.037 -0.413 0.000 0.624 138 A CB -0.647 17.797 19.000 -0.928 0.000 0.822 138 A HN 0.598 nan 8.150 nan 0.000 0.444 139 E N -0.607 119.391 120.200 -0.337 0.000 2.150 139 E HA -0.110 4.240 4.350 0.000 0.000 0.193 139 E C 2.178 178.696 176.600 -0.135 0.000 0.985 139 E CA 1.039 57.320 56.400 -0.198 0.000 0.814 139 E CB -0.592 28.994 29.700 -0.191 0.000 0.752 139 E HN 0.602 nan 8.360 nan 0.000 0.466 140 G N 1.111 109.820 108.800 -0.151 0.000 2.402 140 G HA2 -0.190 3.771 3.960 0.000 0.000 0.216 140 G HA3 -0.190 3.771 3.960 0.000 0.000 0.216 140 G C 1.837 176.671 174.900 -0.109 0.000 1.162 140 G CA 0.748 45.778 45.100 -0.117 0.000 0.777 140 G HN 0.154 nan 8.290 nan 0.000 0.539 141 V N 0.948 120.794 119.914 -0.113 0.000 2.307 141 V HA -0.082 4.038 4.120 0.000 0.000 0.245 141 V C 2.903 178.957 176.094 -0.067 0.000 1.045 141 V CA 1.297 63.545 62.300 -0.087 0.000 1.024 141 V CB -0.436 31.342 31.823 -0.075 0.000 0.651 141 V HN 0.329 nan 8.190 nan 0.000 0.449 142 L N -0.548 120.641 121.223 -0.057 0.000 2.079 142 L HA -0.220 4.120 4.340 0.000 0.000 0.210 142 L C 2.414 179.260 176.870 -0.039 0.000 1.081 142 L CA 1.479 56.303 54.840 -0.027 0.000 0.752 142 L CB -0.502 41.558 42.059 0.002 0.000 0.896 142 L HN 0.355 nan 8.230 nan 0.000 0.433 143 L N -0.230 120.958 121.223 -0.058 0.000 2.017 143 L HA -0.212 4.128 4.340 0.000 0.000 0.208 143 L C 2.763 179.566 176.870 -0.112 0.000 1.073 143 L CA 1.536 56.336 54.840 -0.067 0.000 0.745 143 L CB -0.284 41.736 42.059 -0.065 0.000 0.894 143 L HN 0.232 nan 8.230 nan 0.000 0.432 144 A N 0.006 122.747 122.820 -0.132 0.000 1.940 144 A HA -0.201 4.119 4.320 0.000 0.000 0.219 144 A C 2.158 179.676 177.584 -0.111 0.000 1.176 144 A CA 1.767 53.705 52.037 -0.165 0.000 0.631 144 A CB -0.800 18.125 19.000 -0.126 0.000 0.814 144 A HN 0.534 nan 8.150 nan 0.000 0.446 145 L N -1.399 119.784 121.223 -0.066 0.000 2.141 145 L HA -0.132 4.208 4.340 0.000 0.000 0.209 145 L C 2.836 179.687 176.870 -0.032 0.000 1.094 145 L CA 1.130 55.948 54.840 -0.037 0.000 0.763 145 L CB -0.469 41.579 42.059 -0.019 0.000 0.908 145 L HN 0.367 nan 8.230 nan 0.000 0.437 146 R N -0.194 120.285 120.500 -0.035 0.000 2.090 146 R HA -0.163 4.177 4.340 0.000 0.000 0.228 146 R C 2.178 178.463 176.300 -0.024 0.000 1.110 146 R CA 1.064 57.152 56.100 -0.019 0.000 0.973 146 R CB -0.083 30.210 30.300 -0.010 0.000 0.869 146 R HN 0.199 nan 8.270 nan 0.000 0.440 147 E N 0.425 120.587 120.200 -0.063 0.000 2.072 147 E HA -0.126 4.224 4.350 0.000 0.000 0.191 147 E C 1.775 178.352 176.600 -0.040 0.000 0.985 147 E CA 2.048 58.404 56.400 -0.072 0.000 0.801 147 E CB -0.027 29.526 29.700 -0.245 0.000 0.750 147 E HN 0.340 nan 8.360 nan 0.000 0.452 148 T N -3.865 110.659 114.554 -0.051 0.000 3.054 148 T HA 0.212 4.562 4.350 0.000 0.000 0.259 148 T C 1.629 176.330 174.700 0.001 0.000 1.092 148 T CA 0.659 62.750 62.100 -0.014 0.000 1.121 148 T CB -0.054 68.806 68.868 -0.014 0.000 0.912 148 T HN 0.357 nan 8.240 nan 0.000 0.489 149 G N 1.742 110.539 108.800 -0.004 0.000 2.148 149 G HA2 -0.254 3.707 3.960 0.000 0.000 0.254 149 G HA3 -0.254 3.707 3.960 0.000 0.000 0.254 149 G C 0.165 175.068 174.900 0.005 0.000 0.981 149 G CA 0.156 45.259 45.100 0.004 0.000 0.670 149 G HN 0.708 nan 8.290 nan 0.000 0.528 150 R N -1.239 119.263 120.500 0.003 0.000 2.700 150 R HA 0.777 5.117 4.340 0.000 0.000 0.253 150 R C 1.037 177.340 176.300 0.004 0.000 1.091 150 R CA -0.851 55.253 56.100 0.006 0.000 1.104 150 R CB 0.406 30.712 30.300 0.010 0.000 1.202 150 R HN 0.094 nan 8.270 nan 0.000 0.532 151 M N -0.085 119.519 119.600 0.007 0.000 2.300 151 M HA 0.204 4.684 4.480 0.000 0.000 0.313 151 M C 0.413 176.719 176.300 0.009 0.000 0.988 151 M CA 0.038 55.342 55.300 0.007 0.000 1.012 151 M CB 1.110 33.715 32.600 0.008 0.000 1.586 151 M HN 0.728 nan 8.290 nan 0.000 0.562 152 G N 1.045 109.851 108.800 0.011 0.000 2.377 152 G HA2 0.538 4.498 3.960 0.000 0.000 0.299 152 G HA3 0.538 4.498 3.960 0.000 0.000 0.299 152 G C -0.866 174.043 174.900 0.015 0.000 1.150 152 G CA -0.217 44.892 45.100 0.014 0.000 0.847 152 G HN 0.059 nan 8.290 nan 0.000 0.501 153 V N 2.665 122.589 119.914 0.017 0.000 2.733 153 V HA 0.383 4.503 4.120 0.000 0.000 0.306 153 V C -0.302 175.807 176.094 0.025 0.000 1.084 153 V CA -0.611 61.700 62.300 0.018 0.000 0.905 153 V CB 1.804 33.632 31.823 0.009 0.000 1.010 153 V HN 0.633 nan 8.190 nan 0.000 0.424 154 L N 4.850 126.096 121.223 0.038 0.000 2.296 154 L HA 0.733 5.073 4.340 0.000 0.000 0.286 154 L C -0.619 176.278 176.870 0.044 0.000 1.023 154 L CA -0.749 54.121 54.840 0.049 0.000 0.812 154 L CB 1.848 43.953 42.059 0.075 0.000 1.223 154 L HN 0.456 nan 8.230 nan 0.000 0.421 155 V N 3.034 122.966 119.914 0.029 0.000 2.531 155 V HA 0.368 4.488 4.120 0.000 0.000 0.301 155 V C 0.110 176.211 176.094 0.012 0.000 1.034 155 V CA -0.309 61.998 62.300 0.012 0.000 0.865 155 V CB 2.296 34.120 31.823 0.002 0.000 0.995 155 V HN 0.849 nan 8.190 nan 0.000 0.424 156 S N 4.068 119.764 115.700 -0.007 0.000 2.572 156 S HA 0.085 4.555 4.470 0.000 0.000 0.279 156 S C 0.964 175.575 174.600 0.018 0.000 1.341 156 S CA 0.699 58.898 58.200 -0.002 0.000 1.043 156 S CB 1.135 64.296 63.200 -0.066 0.000 0.887 156 S HN 0.971 nan 8.310 nan 0.000 0.516 157 Q N 3.155 122.979 119.800 0.039 0.000 2.436 157 Q HA -0.001 4.339 4.340 0.000 0.000 0.209 157 Q C 1.697 177.807 176.000 0.183 0.000 0.965 157 Q CA 1.153 56.980 55.803 0.039 0.000 0.910 157 Q CB -0.726 27.995 28.738 -0.029 0.000 0.980 157 Q HN 0.993 nan 8.270 nan 0.000 0.491 158 G N 0.246 109.143 108.800 0.163 0.000 2.559 158 G HA2 -0.039 3.921 3.960 0.000 0.000 0.216 158 G HA3 -0.039 3.921 3.960 0.000 0.000 0.216 158 G C 0.463 175.439 174.900 0.126 0.000 1.126 158 G CA 0.078 45.291 45.100 0.189 0.000 0.778 158 G HN 0.175 nan 8.290 nan 0.000 0.543 159 V N 1.725 121.675 119.914 0.061 0.000 2.555 159 V HA 0.083 4.204 4.120 0.000 0.000 0.286 159 V C 0.791 176.872 176.094 -0.021 0.000 1.044 159 V CA -1.231 61.069 62.300 -0.001 0.000 1.026 159 V CB 1.021 32.841 31.823 -0.006 0.000 0.981 159 V HN 0.421 nan 8.190 nan 0.000 0.480 160 H N 8.985 127.908 119.070 -0.244 0.000 3.193 160 H HA -0.050 4.506 4.556 0.000 0.000 0.306 160 H C -1.390 173.747 175.328 -0.318 0.000 0.960 160 H CA -0.771 55.018 56.048 -0.432 0.000 1.375 160 H CB 1.203 30.663 29.762 -0.504 0.000 1.321 160 H HN 0.418 nan 8.280 nan 0.000 0.578 161 P HA -0.173 nan 4.420 nan 0.000 0.216 161 P C 0.988 178.359 177.300 0.119 0.000 1.150 161 P CA 1.476 64.522 63.100 -0.089 0.000 0.843 161 P CB 0.308 31.880 31.700 -0.213 0.000 0.787 162 E N -1.383 119.027 120.200 0.349 0.000 2.106 162 E HA -0.175 4.175 4.350 0.000 0.000 0.192 162 E C 2.193 178.883 176.600 0.149 0.000 0.984 162 E CA 0.896 57.401 56.400 0.175 0.000 0.806 162 E CB -0.466 29.281 29.700 0.079 0.000 0.750 162 E HN 0.269 nan 8.360 nan 0.000 0.458 163 Y N 0.941 121.201 120.300 -0.068 0.000 2.145 163 Y HA -0.140 4.410 4.550 0.000 0.000 0.286 163 Y C 2.323 178.190 175.900 -0.055 0.000 1.145 163 Y CA 1.084 59.129 58.100 -0.092 0.000 1.148 163 Y CB -0.277 38.132 38.460 -0.085 0.000 0.981 163 Y HN -0.077 nan 8.280 nan 0.000 0.507 164 R N -0.520 120.068 120.500 0.146 0.000 2.096 164 R HA -0.140 4.201 4.340 0.000 0.000 0.235 164 R C 2.429 178.753 176.300 0.040 0.000 1.127 164 R CA 1.053 57.191 56.100 0.062 0.000 0.968 164 R CB -0.513 29.805 30.300 0.030 0.000 0.861 164 R HN 0.319 nan 8.270 nan 0.000 0.440 165 A N 0.521 123.367 122.820 0.044 0.000 1.898 165 A HA -0.094 4.226 4.320 0.000 0.000 0.216 165 A C 2.319 179.929 177.584 0.043 0.000 1.181 165 A CA 1.209 53.265 52.037 0.032 0.000 0.620 165 A CB -0.450 18.567 19.000 0.027 0.000 0.819 165 A HN 0.105 nan 8.150 nan 0.000 0.442 166 V N -0.126 119.809 119.914 0.036 0.000 2.343 166 V HA -0.227 3.893 4.120 0.000 0.000 0.247 166 V C 2.500 178.662 176.094 0.114 0.000 1.051 166 V CA 1.915 64.258 62.300 0.072 0.000 1.036 166 V CB -0.824 30.981 31.823 -0.030 0.000 0.654 166 V HN 0.598 nan 8.190 nan 0.000 0.451 167 L N 0.597 121.832 121.223 0.019 0.000 2.012 167 L HA -0.204 4.136 4.340 0.000 0.000 0.210 167 L C 2.577 179.490 176.870 0.072 0.000 1.073 167 L CA 2.321 57.167 54.840 0.009 0.000 0.748 167 L CB -0.790 41.261 42.059 -0.014 0.000 0.891 167 L HN 0.249 nan 8.230 nan 0.000 0.431 168 R N -0.599 119.936 120.500 0.058 0.000 2.083 168 R HA -0.184 4.156 4.340 0.000 0.000 0.237 168 R C 2.170 178.509 176.300 0.065 0.000 1.137 168 R CA 1.549 57.678 56.100 0.049 0.000 0.951 168 R CB -0.474 29.842 30.300 0.028 0.000 0.851 168 R HN 0.522 nan 8.270 nan 0.000 0.434 169 A N 0.115 122.986 122.820 0.084 0.000 1.883 169 A HA -0.201 4.119 4.320 0.000 0.000 0.217 169 A C 1.987 179.596 177.584 0.041 0.000 1.186 169 A CA 1.435 53.501 52.037 0.048 0.000 0.624 169 A CB -0.923 18.098 19.000 0.035 0.000 0.822 169 A HN 0.508 nan 8.150 nan 0.000 0.444 170 Y N -0.950 119.338 120.300 -0.019 0.000 2.242 170 Y HA -0.120 4.430 4.550 0.000 0.000 0.291 170 Y C 2.220 178.110 175.900 -0.016 0.000 1.137 170 Y CA 1.204 59.294 58.100 -0.017 0.000 1.181 170 Y CB -0.347 38.098 38.460 -0.025 0.000 0.989 170 Y HN 0.215 nan 8.280 nan 0.000 0.527 171 L N 0.193 121.503 121.223 0.145 0.000 1.988 171 L HA -0.177 4.163 4.340 0.000 0.000 0.207 171 L C 2.153 179.047 176.870 0.039 0.000 1.071 171 L CA 1.771 56.654 54.840 0.073 0.000 0.744 171 L CB -1.038 41.051 42.059 0.050 0.000 0.893 171 L HN 0.236 nan 8.230 nan 0.000 0.433 172 E N -0.759 119.457 120.200 0.028 0.000 2.204 172 E HA -0.203 4.147 4.350 0.000 0.000 0.195 172 E C 2.134 178.733 176.600 -0.002 0.000 0.990 172 E CA 0.964 57.369 56.400 0.009 0.000 0.821 172 E CB -0.217 29.485 29.700 0.004 0.000 0.750 172 E HN 0.508 nan 8.360 nan 0.000 0.477 173 A N 1.117 123.930 122.820 -0.012 0.000 1.933 173 A HA -0.121 4.199 4.320 0.000 0.000 0.218 173 A C 2.303 179.879 177.584 -0.015 0.000 1.175 173 A CA 1.177 53.195 52.037 -0.032 0.000 0.628 173 A CB -0.358 18.596 19.000 -0.076 0.000 0.814 173 A HN 0.216 nan 8.150 nan 0.000 0.444 174 V N -0.812 119.104 119.914 0.004 0.000 3.633 174 V HA 0.403 4.523 4.120 0.000 0.000 0.283 174 V C 1.321 177.420 176.094 0.008 0.000 1.305 174 V CA 1.253 63.559 62.300 0.009 0.000 1.153 174 V CB -0.628 31.209 31.823 0.023 0.000 0.950 174 V HN 1.305 nan 8.190 nan 0.000 0.432 175 G N 0.275 109.079 108.800 0.006 0.000 2.143 175 G HA2 -0.180 3.781 3.960 0.000 0.000 0.249 175 G HA3 -0.180 3.781 3.960 0.000 0.000 0.249 175 G C 0.365 175.270 174.900 0.008 0.000 0.981 175 G CA 0.387 45.491 45.100 0.005 0.000 0.665 175 G HN 1.359 nan 8.290 nan 0.000 0.528 176 A N -0.481 122.346 122.820 0.013 0.000 2.313 176 A HA 0.710 5.030 4.320 0.000 0.000 0.261 176 A C 0.462 178.053 177.584 0.012 0.000 1.090 176 A CA 0.075 52.120 52.037 0.013 0.000 0.807 176 A CB 0.599 19.609 19.000 0.016 0.000 1.055 176 A HN 0.196 nan 8.150 nan 0.000 0.492 177 K N 0.118 120.524 120.400 0.011 0.000 2.270 177 K HA 0.573 4.894 4.320 0.000 0.000 0.255 177 K C -1.634 174.972 176.600 0.011 0.000 0.936 177 K CA -0.521 55.772 56.287 0.010 0.000 0.809 177 K CB 1.777 34.282 32.500 0.009 0.000 1.131 177 K HN 0.502 nan 8.250 nan 0.000 0.427 178 L N 3.387 124.616 121.223 0.010 0.000 2.356 178 L HA 0.502 4.842 4.340 0.000 0.000 0.277 178 L C -1.585 175.290 176.870 0.009 0.000 0.996 178 L CA -0.880 53.967 54.840 0.010 0.000 0.822 178 L CB 1.490 43.556 42.059 0.010 0.000 1.256 178 L HN 0.498 nan 8.230 nan 0.000 0.413 179 L N 4.171 125.401 121.223 0.012 0.000 2.356 179 L HA 0.660 5.001 4.340 0.000 0.000 0.277 179 L C -0.461 176.417 176.870 0.013 0.000 0.996 179 L CA 0.188 55.035 54.840 0.011 0.000 0.822 179 L CB 2.036 44.105 42.059 0.016 0.000 1.256 179 L HN 0.700 nan 8.230 nan 0.000 0.413 180 T N 6.050 120.606 114.554 0.004 0.000 2.806 180 T HA 0.494 4.844 4.350 0.000 0.000 0.290 180 T C -0.065 174.641 174.700 0.010 0.000 0.966 180 T CA -0.225 61.876 62.100 0.001 0.000 1.060 180 T CB 0.563 69.418 68.868 -0.021 0.000 0.927 180 T HN 0.425 nan 8.240 nan 0.000 0.485 181 L N 6.312 127.550 121.223 0.025 0.000 2.259 181 L HA 0.334 4.674 4.340 0.000 0.000 0.288 181 L C -1.865 175.027 176.870 0.038 0.000 1.051 181 L CA -2.198 52.669 54.840 0.044 0.000 0.824 181 L CB 0.529 42.637 42.059 0.082 0.000 1.206 181 L HN 0.343 nan 8.230 nan 0.000 0.429 182 P HA 0.022 nan 4.420 nan 0.000 0.267 182 P C -0.345 176.991 177.300 0.059 0.000 1.200 182 P CA -0.060 63.051 63.100 0.018 0.000 0.772 182 P CB 1.004 32.708 31.700 0.007 0.000 0.855 183 L N 2.222 123.496 121.223 0.086 0.000 2.436 183 L HA 0.239 4.580 4.340 0.000 0.000 0.265 183 L C 1.105 178.040 176.870 0.108 0.000 1.168 183 L CA 0.158 55.075 54.840 0.128 0.000 0.815 183 L CB 0.098 42.285 42.059 0.212 0.000 1.109 183 L HN 0.376 nan 8.230 nan 0.000 0.462 184 E N 0.674 120.929 120.200 0.091 0.000 2.244 184 E HA 0.297 4.647 4.350 0.000 0.000 0.260 184 E C 0.135 176.754 176.600 0.032 0.000 0.884 184 E CA -0.146 56.291 56.400 0.062 0.000 0.777 184 E CB 1.744 31.473 29.700 0.049 0.000 1.197 184 E HN 0.827 nan 8.360 nan 0.000 0.416 185 G N 2.391 111.189 108.800 -0.004 0.000 2.249 185 G HA2 -0.294 3.666 3.960 0.000 0.000 0.273 185 G HA3 -0.294 3.666 3.960 0.000 0.000 0.273 185 G C 0.891 175.724 174.900 -0.112 0.000 1.036 185 G CA 0.596 45.645 45.100 -0.085 0.000 0.824 185 G HN 1.170 nan 8.290 nan 0.000 0.504 186 G N -1.896 106.868 108.800 -0.061 0.000 2.205 186 G HA2 -0.255 3.705 3.960 0.000 0.000 0.261 186 G HA3 -0.255 3.705 3.960 0.000 0.000 0.261 186 G C 0.396 175.339 174.900 0.071 0.000 0.980 186 G CA 1.168 46.266 45.100 -0.002 0.000 0.632 186 G HN 1.114 nan 8.290 nan 0.000 0.533 187 R N -0.363 120.179 120.500 0.070 0.000 2.854 187 R HA 0.646 4.986 4.340 0.000 0.000 0.271 187 R C -0.370 175.999 176.300 0.114 0.000 0.994 187 R CA -0.064 56.091 56.100 0.090 0.000 0.945 187 R CB 1.517 31.865 30.300 0.079 0.000 1.194 187 R HN 0.242 nan 8.270 nan 0.000 0.476 188 T N 1.845 116.484 114.554 0.141 0.000 2.744 188 T HA 0.360 4.710 4.350 0.000 0.000 0.291 188 T C -2.097 172.786 174.700 0.305 0.000 0.957 188 T CA -1.789 60.425 62.100 0.191 0.000 1.002 188 T CB 0.926 69.875 68.868 0.136 0.000 0.919 188 T HN 0.289 nan 8.240 nan 0.000 0.468 189 P HA 0.184 nan 4.420 nan 0.000 0.271 189 P C -0.201 177.143 177.300 0.073 0.000 1.218 189 P CA -0.777 62.387 63.100 0.107 0.000 0.780 189 P CB 0.593 32.326 31.700 0.056 0.000 0.901 190 L N 5.442 126.565 121.223 -0.167 0.000 2.534 190 L HA 0.217 4.557 4.340 0.000 0.000 0.271 190 L C -1.834 174.934 176.870 -0.169 0.000 1.178 190 L CA -0.925 53.660 54.840 -0.426 0.000 0.907 190 L CB -0.653 41.119 42.059 -0.478 0.000 1.164 190 L HN 0.353 nan 8.230 nan 0.000 0.482 191 P HA 0.243 nan 4.420 nan 0.000 0.283 191 P C -1.394 175.881 177.300 -0.041 0.000 1.278 191 P CA -0.765 62.328 63.100 -0.011 0.000 0.834 191 P CB 1.022 32.766 31.700 0.074 0.000 1.150 192 E N 0.332 120.520 120.200 -0.019 0.000 2.200 192 E HA 0.338 4.688 4.350 0.000 0.000 0.283 192 E C -0.980 175.619 176.600 -0.002 0.000 1.015 192 E CA -0.746 55.641 56.400 -0.021 0.000 0.819 192 E CB 0.845 30.536 29.700 -0.015 0.000 1.081 192 E HN 0.106 nan 8.360 nan 0.000 0.397 193 V N 4.505 124.417 119.914 -0.003 0.000 2.370 193 V HA 0.424 4.544 4.120 0.000 0.000 0.279 193 V C 0.843 176.945 176.094 0.014 0.000 1.029 193 V CA -0.492 61.816 62.300 0.014 0.000 0.870 193 V CB 1.207 33.040 31.823 0.018 0.000 0.984 193 V HN 0.788 nan 8.190 nan 0.000 0.451 194 G N 2.679 111.490 108.800 0.018 0.000 2.562 194 G HA2 0.342 4.303 3.960 0.000 0.000 0.275 194 G HA3 0.342 4.303 3.960 0.000 0.000 0.275 194 G C 0.396 175.308 174.900 0.021 0.000 1.196 194 G CA -0.393 44.717 45.100 0.017 0.000 0.908 194 G HN 0.772 nan 8.290 nan 0.000 0.524 195 E N -0.029 120.182 120.200 0.020 0.000 2.516 195 E HA -0.085 4.265 4.350 0.000 0.000 0.199 195 E C 1.634 178.246 176.600 0.021 0.000 1.069 195 E CA 0.437 56.850 56.400 0.023 0.000 0.876 195 E CB 0.336 30.049 29.700 0.021 0.000 0.843 195 E HN 0.677 nan 8.360 nan 0.000 0.530 196 E N 0.371 120.582 120.200 0.019 0.000 2.447 196 E HA -0.009 4.341 4.350 0.000 0.000 0.195 196 E C 0.531 177.142 176.600 0.019 0.000 1.028 196 E CA 0.144 56.554 56.400 0.017 0.000 0.876 196 E CB 0.071 29.780 29.700 0.015 0.000 0.885 196 E HN -0.059 nan 8.360 nan 0.000 0.500 197 V N 2.009 121.938 119.914 0.024 0.000 2.455 197 V HA 0.323 4.443 4.120 0.000 0.000 0.273 197 V C 1.366 177.478 176.094 0.029 0.000 1.045 197 V CA 0.401 62.718 62.300 0.028 0.000 0.976 197 V CB 1.236 33.081 31.823 0.035 0.000 0.993 197 V HN 0.342 nan 8.190 nan 0.000 0.475 198 G N 3.427 112.240 108.800 0.021 0.000 2.719 198 G HA2 0.482 4.442 3.960 0.000 0.000 0.211 198 G HA3 0.482 4.442 3.960 0.000 0.000 0.211 198 G C 0.392 175.301 174.900 0.014 0.000 1.140 198 G CA 0.755 45.863 45.100 0.013 0.000 0.790 198 G HN 0.944 nan 8.290 nan 0.000 0.529 199 A N -0.445 122.388 122.820 0.022 0.000 2.520 199 A HA 0.674 4.994 4.320 0.000 0.000 0.298 199 A C -1.612 176.007 177.584 0.058 0.000 1.051 199 A CA -0.381 51.672 52.037 0.027 0.000 0.690 199 A CB 2.066 21.058 19.000 -0.013 0.000 1.281 199 A HN 0.310 nan 8.150 nan 0.000 0.402 200 V N 2.124 122.105 119.914 0.112 0.000 2.444 200 V HA 0.556 4.676 4.120 0.000 0.000 0.294 200 V C -0.523 175.654 176.094 0.138 0.000 1.022 200 V CA -0.523 61.884 62.300 0.179 0.000 0.850 200 V CB 1.509 33.510 31.823 0.296 0.000 0.992 200 V HN 0.702 nan 8.190 nan 0.000 0.426 201 V N 5.571 125.512 119.914 0.044 0.000 2.448 201 V HA 0.712 4.832 4.120 0.000 0.000 0.295 201 V C -0.407 175.636 176.094 -0.086 0.000 1.025 201 V CA -0.518 61.732 62.300 -0.083 0.000 0.859 201 V CB 1.925 33.701 31.823 -0.078 0.000 0.988 201 V HN 0.612 nan 8.190 nan 0.000 0.431 202 V N 4.049 123.862 119.914 -0.169 0.000 2.888 202 V HA 0.493 4.613 4.120 0.000 0.000 0.309 202 V C -0.648 175.344 176.094 -0.169 0.000 1.114 202 V CA -0.656 61.530 62.300 -0.190 0.000 0.940 202 V CB 2.059 33.692 31.823 -0.317 0.000 1.021 202 V HN 0.924 nan 8.190 nan 0.000 0.426 203 Q N 2.793 122.517 119.800 -0.126 0.000 2.282 203 Q HA 0.614 4.955 4.340 0.000 0.000 0.260 203 Q C -1.154 174.803 176.000 -0.072 0.000 0.964 203 Q CA -0.527 55.218 55.803 -0.096 0.000 0.880 203 Q CB 1.761 30.449 28.738 -0.083 0.000 1.286 203 Q HN 0.795 nan 8.270 nan 0.000 0.445 204 N N 4.048 122.712 118.700 -0.061 0.000 2.519 204 N HA 0.446 5.186 4.740 0.000 0.000 0.291 204 N C -2.900 172.558 175.510 -0.087 0.000 1.107 204 N CA -1.465 51.553 53.050 -0.052 0.000 0.904 204 N CB 2.002 40.467 38.487 -0.036 0.000 1.500 204 N HN 0.321 nan 8.380 nan 0.000 0.510 205 P HA 0.159 nan 4.420 nan 0.000 0.272 205 P C -0.597 176.701 177.300 -0.003 0.000 1.223 205 P CA -0.296 62.786 63.100 -0.030 0.000 0.784 205 P CB 0.482 32.197 31.700 0.025 0.000 0.923 206 N N 1.312 120.027 118.700 0.024 0.000 2.327 206 N HA 0.005 4.745 4.740 0.000 0.000 0.257 206 N C 0.702 176.241 175.510 0.048 0.000 1.281 206 N CA -0.306 52.766 53.050 0.036 0.000 0.942 206 N CB -0.530 37.991 38.487 0.057 0.000 1.199 206 N HN 0.231 nan 8.380 nan 0.000 0.532 207 F N -0.385 119.497 119.950 -0.114 0.000 2.184 207 F HA -0.020 4.507 4.527 0.000 0.000 0.301 207 F C 1.422 177.086 175.800 -0.227 0.000 1.076 207 F CA 1.419 59.290 58.000 -0.214 0.000 1.295 207 F CB -0.160 38.642 39.000 -0.330 0.000 1.026 207 F HN 0.418 nan 8.300 nan 0.000 0.494 208 L N -0.673 120.404 121.223 -0.242 0.000 2.612 208 L HA 0.248 4.588 4.340 0.000 0.000 0.230 208 L C 1.798 178.597 176.870 -0.118 0.000 1.140 208 L CA 0.583 55.262 54.840 -0.268 0.000 0.896 208 L CB -0.871 41.159 42.059 -0.048 0.000 1.065 208 L HN 0.396 nan 8.230 nan 0.000 0.447 209 G N 0.107 108.875 108.800 -0.053 0.000 2.176 209 G HA2 -0.282 3.678 3.960 0.000 0.000 0.253 209 G HA3 -0.282 3.678 3.960 0.000 0.000 0.253 209 G C 0.424 175.459 174.900 0.224 0.000 0.979 209 G CA 0.013 45.174 45.100 0.101 0.000 0.641 209 G HN 0.500 nan 8.290 nan 0.000 0.530 210 A N 0.491 123.406 122.820 0.158 0.000 2.401 210 A HA 0.691 5.011 4.320 0.000 0.000 0.259 210 A C 0.696 178.363 177.584 0.138 0.000 1.103 210 A CA -0.135 52.008 52.037 0.177 0.000 0.789 210 A CB 0.351 19.424 19.000 0.122 0.000 1.035 210 A HN 0.803 nan 8.150 nan 0.000 0.491 211 L N 1.596 122.906 121.223 0.146 0.000 2.349 211 L HA 0.374 4.714 4.340 0.000 0.000 0.275 211 L C 0.392 177.303 176.870 0.067 0.000 1.115 211 L CA -0.124 54.774 54.840 0.097 0.000 0.820 211 L CB 0.928 43.056 42.059 0.116 0.000 1.135 211 L HN 0.818 nan 8.230 nan 0.000 0.445 212 E N 1.319 121.537 120.200 0.031 0.000 2.212 212 E HA 0.154 4.504 4.350 0.000 0.000 0.268 212 E C -1.073 175.518 176.600 -0.016 0.000 0.902 212 E CA -0.592 55.821 56.400 0.020 0.000 0.779 212 E CB 1.480 31.162 29.700 -0.030 0.000 1.172 212 E HN 0.334 nan 8.360 nan 0.000 0.409 213 D N 4.384 124.800 120.400 0.028 0.000 2.422 213 D HA 0.092 4.732 4.640 0.000 0.000 0.227 213 D C 0.781 177.031 176.300 -0.084 0.000 1.190 213 D CA 0.126 54.094 54.000 -0.053 0.000 0.905 213 D CB 0.482 41.287 40.800 0.009 0.000 1.034 213 D HN 0.543 nan 8.370 nan 0.000 0.507 214 L N 2.836 123.784 121.223 -0.458 0.000 2.141 214 L HA -0.011 4.329 4.340 0.000 0.000 0.209 214 L C 2.545 179.212 176.870 -0.337 0.000 1.094 214 L CA 0.873 55.485 54.840 -0.381 0.000 0.763 214 L CB -0.466 41.278 42.059 -0.525 0.000 0.908 214 L HN 0.431 nan 8.230 nan 0.000 0.437 215 G N 1.791 110.358 108.800 -0.388 0.000 2.719 215 G HA2 -0.290 3.670 3.960 0.000 0.000 0.219 215 G HA3 -0.290 3.670 3.960 0.000 0.000 0.219 215 G C -0.394 174.434 174.900 -0.120 0.000 1.234 215 G CA 1.379 46.459 45.100 -0.034 0.000 0.788 215 G HN 0.324 nan 8.290 nan 0.000 0.619 216 P HA -0.099 nan 4.420 nan 0.000 0.219 216 P C 1.478 178.550 177.300 -0.380 0.000 1.146 216 P CA 1.070 64.019 63.100 -0.251 0.000 0.808 216 P CB -0.224 31.300 31.700 -0.293 0.000 0.779 217 F N 0.900 120.604 119.950 -0.410 0.000 2.186 217 F HA -0.041 4.486 4.527 0.000 0.000 0.299 217 F C 2.744 178.033 175.800 -0.852 0.000 1.090 217 F CA 1.361 59.017 58.000 -0.573 0.000 1.307 217 F CB -1.270 37.334 39.000 -0.661 0.000 1.019 217 F HN -0.062 nan 8.300 nan 0.000 0.489 218 A N -0.040 122.278 122.820 -0.837 0.000 1.898 218 A HA -0.177 4.143 4.320 0.000 0.000 0.216 218 A C 2.107 179.355 177.584 -0.560 0.000 1.181 218 A CA 1.717 53.280 52.037 -0.790 0.000 0.620 218 A CB -0.714 18.075 19.000 -0.353 0.000 0.819 218 A HN 0.418 nan 8.150 nan 0.000 0.442 219 E N -0.088 119.956 120.200 -0.261 0.000 2.031 219 E HA -0.128 4.222 4.350 0.000 0.000 0.193 219 E C 2.372 178.903 176.600 -0.114 0.000 0.994 219 E CA 0.983 57.327 56.400 -0.093 0.000 0.800 219 E CB -0.356 29.308 29.700 -0.060 0.000 0.752 219 E HN 0.595 nan 8.360 nan 0.000 0.447 220 A N 1.755 124.469 122.820 -0.177 0.000 1.892 220 A HA -0.220 4.101 4.320 0.000 0.000 0.218 220 A C 2.430 179.961 177.584 -0.088 0.000 1.188 220 A CA 2.065 54.023 52.037 -0.132 0.000 0.631 220 A CB -0.845 18.047 19.000 -0.180 0.000 0.822 220 A HN 0.310 nan 8.150 nan 0.000 0.447 221 A N -0.921 121.812 122.820 -0.145 0.000 1.858 221 A HA -0.210 4.110 4.320 0.000 0.000 0.216 221 A C 2.041 179.627 177.584 0.003 0.000 1.190 221 A CA 1.780 53.771 52.037 -0.075 0.000 0.617 221 A CB -1.035 17.907 19.000 -0.097 0.000 0.827 221 A HN 0.650 nan 8.150 nan 0.000 0.443 222 H N -0.432 118.667 119.070 0.048 0.000 2.387 222 H HA -0.098 4.459 4.556 0.000 0.000 0.299 222 H C 2.383 177.732 175.328 0.035 0.000 1.099 222 H CA 1.041 57.122 56.048 0.055 0.000 1.315 222 H CB -1.091 28.705 29.762 0.058 0.000 1.380 222 H HN 0.497 nan 8.280 nan 0.000 0.513 223 G N 0.119 108.993 108.800 0.123 0.000 2.462 223 G HA2 -0.148 3.813 3.960 0.000 0.000 0.220 223 G HA3 -0.148 3.813 3.960 0.000 0.000 0.220 223 G C 1.677 176.611 174.900 0.056 0.000 1.121 223 G CA 0.928 46.069 45.100 0.069 0.000 0.758 223 G HN 0.543 nan 8.290 nan 0.000 0.559 224 A N -0.832 122.022 122.820 0.057 0.000 2.348 224 A HA 0.517 4.838 4.320 0.000 0.000 0.224 224 A C 1.859 179.480 177.584 0.061 0.000 1.227 224 A CA 1.117 53.182 52.037 0.047 0.000 0.885 224 A CB -0.131 18.890 19.000 0.035 0.000 0.933 224 A HN 1.536 nan 8.150 nan 0.000 0.506 225 G N -1.730 107.124 108.800 0.090 0.000 2.132 225 G HA2 0.123 4.083 3.960 0.000 0.000 0.234 225 G HA3 0.123 4.083 3.960 0.000 0.000 0.234 225 G C 0.348 175.307 174.900 0.098 0.000 0.989 225 G CA 0.337 45.492 45.100 0.093 0.000 0.676 225 G HN 1.548 nan 8.290 nan 0.000 0.522 226 A N -0.446 122.440 122.820 0.110 0.000 2.294 226 A HA 0.889 5.209 4.320 0.000 0.000 0.330 226 A C 0.355 178.030 177.584 0.152 0.000 1.133 226 A CA -0.590 51.505 52.037 0.096 0.000 0.836 226 A CB 0.922 19.966 19.000 0.074 0.000 1.190 226 A HN 0.726 nan 8.150 nan 0.000 0.492 227 L N 0.557 121.846 121.223 0.109 0.000 2.360 227 L HA 0.448 4.788 4.340 0.000 0.000 0.271 227 L C -0.717 176.259 176.870 0.176 0.000 1.057 227 L CA -0.405 54.522 54.840 0.145 0.000 0.803 227 L CB 1.201 43.251 42.059 -0.014 0.000 1.207 227 L HN 0.730 nan 8.230 nan 0.000 0.445 228 F N 2.483 122.452 119.950 0.032 0.000 2.411 228 F HA 0.503 5.030 4.527 0.000 0.000 0.352 228 F C -0.501 175.312 175.800 0.021 0.000 1.123 228 F CA -0.797 57.197 58.000 -0.010 0.000 1.044 228 F CB 1.237 40.197 39.000 -0.068 0.000 1.135 228 F HN -0.031 nan 8.300 nan 0.000 0.461 229 V N 6.393 125.982 119.914 -0.542 0.000 2.370 229 V HA 0.716 4.837 4.120 0.000 0.000 0.283 229 V C 0.013 175.616 176.094 -0.819 0.000 1.023 229 V CA -0.681 61.310 62.300 -0.514 0.000 0.857 229 V CB 0.899 32.566 31.823 -0.261 0.000 0.985 229 V HN 0.972 nan 8.190 nan 0.000 0.443 230 A N 5.031 127.465 122.820 -0.644 0.000 2.304 230 A HA 0.804 5.124 4.320 0.000 0.000 0.323 230 A C -0.604 176.849 177.584 -0.218 0.000 1.195 230 A CA -0.510 51.238 52.037 -0.482 0.000 0.826 230 A CB 1.301 20.120 19.000 -0.301 0.000 1.184 230 A HN 0.643 nan 8.150 nan 0.000 0.496 231 V N 1.925 121.737 119.914 -0.170 0.000 2.350 231 V HA 0.679 4.799 4.120 0.000 0.000 0.276 231 V C 0.381 176.438 176.094 -0.062 0.000 1.028 231 V CA 0.131 62.366 62.300 -0.108 0.000 0.860 231 V CB 0.840 32.608 31.823 -0.091 0.000 0.990 231 V HN 1.216 nan 8.190 nan 0.000 0.453 232 A N 3.492 126.311 122.820 -0.002 0.000 2.455 232 A HA 0.552 4.872 4.320 0.000 0.000 0.300 232 A C -0.652 177.000 177.584 0.114 0.000 1.040 232 A CA -0.645 51.419 52.037 0.046 0.000 0.697 232 A CB 1.337 20.386 19.000 0.081 0.000 1.265 232 A HN 0.760 nan 8.150 nan 0.000 0.407 233 D N 4.080 124.507 120.400 0.045 0.000 2.417 233 D HA 0.092 4.732 4.640 0.000 0.000 0.250 233 D C -1.207 175.155 176.300 0.102 0.000 1.166 233 D CA -1.119 52.924 54.000 0.072 0.000 0.881 233 D CB 1.322 42.149 40.800 0.044 0.000 1.164 233 D HN 0.240 nan 8.370 nan 0.000 0.467 234 P HA -0.193 nan 4.420 nan 0.000 0.215 234 P C 1.760 179.079 177.300 0.031 0.000 1.153 234 P CA 0.516 63.651 63.100 0.059 0.000 0.853 234 P CB 0.248 31.976 31.700 0.046 0.000 0.788 235 L N 1.174 122.424 121.223 0.046 0.000 2.083 235 L HA -0.136 4.204 4.340 0.000 0.000 0.209 235 L C 2.568 179.523 176.870 0.140 0.000 1.083 235 L CA 2.576 57.461 54.840 0.076 0.000 0.752 235 L CB -1.641 40.427 42.059 0.015 0.000 0.899 235 L HN 0.037 nan 8.230 nan 0.000 0.433 236 S N -1.019 114.752 115.700 0.118 0.000 2.399 236 S HA -0.148 4.322 4.470 0.000 0.000 0.231 236 S C 1.885 176.474 174.600 -0.018 0.000 1.022 236 S CA 1.023 59.222 58.200 -0.001 0.000 0.983 236 S CB -0.844 62.032 63.200 -0.540 0.000 0.803 236 S HN 0.364 nan 8.310 nan 0.000 0.480 237 L N 2.040 123.256 121.223 -0.011 0.000 2.549 237 L HA 0.104 4.444 4.340 0.000 0.000 0.230 237 L C 2.453 179.331 176.870 0.013 0.000 1.162 237 L CA 1.272 56.105 54.840 -0.011 0.000 0.834 237 L CB -2.093 39.946 42.059 -0.033 0.000 0.947 237 L HN 0.581 nan 8.230 nan 0.000 0.452 238 G N -1.705 107.128 108.800 0.054 0.000 2.572 238 G HA2 0.001 3.961 3.960 0.000 0.000 0.216 238 G HA3 0.001 3.961 3.960 0.000 0.000 0.216 238 G C 1.536 176.478 174.900 0.070 0.000 1.133 238 G CA 0.952 46.087 45.100 0.058 0.000 0.791 238 G HN 0.320 nan 8.290 nan 0.000 0.538 239 V N -0.743 119.235 119.914 0.106 0.000 3.332 239 V HA 0.448 4.568 4.120 0.000 0.000 0.263 239 V C 0.333 176.484 176.094 0.095 0.000 1.562 239 V CA -0.127 62.240 62.300 0.112 0.000 1.040 239 V CB 0.158 32.086 31.823 0.176 0.000 0.857 239 V HN 0.105 nan 8.190 nan 0.000 0.428 240 L N 1.873 123.137 121.223 0.068 0.000 2.357 240 L HA 0.437 4.777 4.340 0.000 0.000 0.273 240 L C 0.319 177.198 176.870 0.014 0.000 1.080 240 L CA -0.255 54.606 54.840 0.035 0.000 0.803 240 L CB 0.980 43.009 42.059 -0.051 0.000 1.174 240 L HN 0.066 nan 8.230 nan 0.000 0.443 241 K N 4.543 124.947 120.400 0.006 0.000 2.466 241 K HA 0.066 4.386 4.320 0.000 0.000 0.278 241 K C -2.144 174.421 176.600 -0.057 0.000 1.048 241 K CA -1.063 55.161 56.287 -0.105 0.000 1.088 241 K CB 0.431 32.762 32.500 -0.280 0.000 0.884 241 K HN 0.263 nan 8.250 nan 0.000 0.478 242 P HA 0.048 nan 4.420 nan 0.000 0.274 242 P C -2.242 175.117 177.300 0.098 0.000 1.231 242 P CA -1.407 61.706 63.100 0.021 0.000 0.790 242 P CB 0.834 32.528 31.700 -0.011 0.000 0.951 243 P HA -0.207 nan 4.420 nan 0.000 0.217 243 P C 1.650 179.112 177.300 0.269 0.000 1.148 243 P CA 1.937 65.243 63.100 0.344 0.000 0.828 243 P CB -0.665 31.164 31.700 0.216 0.000 0.783 244 G N 0.625 109.512 108.800 0.144 0.000 2.442 244 G HA2 -0.231 3.729 3.960 0.000 0.000 0.219 244 G HA3 -0.231 3.729 3.960 0.000 0.000 0.219 244 G C 1.773 176.721 174.900 0.079 0.000 1.141 244 G CA 0.961 46.127 45.100 0.110 0.000 0.763 244 G HN 0.413 nan 8.290 nan 0.000 0.554 245 A N -0.689 122.127 122.820 -0.007 0.000 2.119 245 A HA 0.246 4.566 4.320 0.000 0.000 0.216 245 A C 1.951 179.481 177.584 -0.090 0.000 1.152 245 A CA 0.715 52.693 52.037 -0.099 0.000 0.708 245 A CB -0.293 18.570 19.000 -0.227 0.000 0.805 245 A HN 0.386 nan 8.150 nan 0.000 0.460 246 Y N -1.096 119.272 120.300 0.113 0.000 2.500 246 Y HA 0.322 4.872 4.550 0.000 0.000 0.270 246 Y C 1.893 177.883 175.900 0.151 0.000 1.134 246 Y CA 0.196 58.370 58.100 0.123 0.000 1.293 246 Y CB 0.219 38.773 38.460 0.157 0.000 1.063 246 Y HN 0.428 nan 8.280 nan 0.000 0.534 247 G N -0.557 108.437 108.800 0.324 0.000 2.163 247 G HA2 -0.120 3.840 3.960 0.000 0.000 0.213 247 G HA3 -0.120 3.840 3.960 0.000 0.000 0.213 247 G C 0.353 175.538 174.900 0.474 0.000 0.991 247 G CA -0.262 45.045 45.100 0.345 0.000 0.653 247 G HN 0.545 nan 8.290 nan 0.000 0.518 248 A N 0.156 123.263 122.820 0.479 0.000 2.483 248 A HA 0.514 4.834 4.320 0.000 0.000 0.238 248 A C 1.159 178.956 177.584 0.356 0.000 1.070 248 A CA 0.997 53.340 52.037 0.510 0.000 0.770 248 A CB 0.299 19.504 19.000 0.341 0.000 1.008 248 A HN 0.247 nan 8.150 nan 0.000 0.497 249 D N 0.492 121.094 120.400 0.337 0.000 2.338 249 D HA 0.184 4.824 4.640 0.000 0.000 0.208 249 D C 0.137 176.582 176.300 0.242 0.000 0.997 249 D CA 1.154 55.361 54.000 0.346 0.000 0.880 249 D CB 0.298 41.329 40.800 0.385 0.000 0.980 249 D HN 0.536 nan 8.370 nan 0.000 0.509 250 I N 0.324 120.957 120.570 0.105 0.000 2.722 250 I HA 0.474 4.644 4.170 0.000 0.000 0.295 250 I C -1.132 174.981 176.117 -0.007 0.000 1.161 250 I CA -0.990 60.341 61.300 0.050 0.000 1.032 250 I CB 2.585 40.575 38.000 -0.016 0.000 1.244 250 I HN -0.239 nan 8.210 nan 0.000 0.421 251 A N 5.378 128.229 122.820 0.052 0.000 2.374 251 A HA 0.900 5.220 4.320 0.000 0.000 0.305 251 A C -0.877 176.758 177.584 0.084 0.000 1.053 251 A CA -0.577 51.510 52.037 0.083 0.000 0.726 251 A CB 1.706 20.821 19.000 0.193 0.000 1.229 251 A HN 0.654 nan 8.150 nan 0.000 0.431 252 V N -0.636 119.195 119.914 -0.139 0.000 3.102 252 V HA 1.080 5.200 4.120 0.000 0.000 0.312 252 V C 0.042 175.590 176.094 -0.909 0.000 1.135 252 V CA -0.090 61.865 62.300 -0.574 0.000 1.022 252 V CB 1.400 33.009 31.823 -0.356 0.000 1.056 252 V HN 2.206 nan 8.190 nan 0.000 0.436 253 G N 0.243 108.187 108.800 -1.426 0.000 2.356 253 G HA2 0.402 4.363 3.960 0.000 0.000 0.294 253 G HA3 0.402 4.363 3.960 0.000 0.000 0.294 253 G C -2.332 172.218 174.900 -0.584 0.000 1.423 253 G CA -0.360 44.255 45.100 -0.808 0.000 0.806 253 G HN 0.957 nan 8.290 nan 0.000 0.527 254 D N -0.531 119.749 120.400 -0.200 0.000 2.163 254 D HA 0.486 5.126 4.640 0.000 0.000 0.248 254 D C 1.144 177.259 176.300 -0.309 0.000 1.035 254 D CA 0.074 53.933 54.000 -0.235 0.000 0.872 254 D CB 1.892 42.639 40.800 -0.088 0.000 1.183 254 D HN 0.551 nan 8.370 nan 0.000 0.445 255 G N 2.210 110.549 108.800 -0.768 0.000 3.141 255 G HA2 -0.147 3.813 3.960 0.000 0.000 0.218 255 G HA3 -0.147 3.813 3.960 0.000 0.000 0.218 255 G C 1.100 175.767 174.900 -0.388 0.000 1.170 255 G CA -0.069 44.511 45.100 -0.867 0.000 0.769 255 G HN 0.451 nan 8.290 nan 0.000 0.546 256 Q N 1.960 121.535 119.800 -0.375 0.000 2.112 256 Q HA -0.184 4.156 4.340 0.000 0.000 0.206 256 Q C 2.548 178.401 176.000 -0.245 0.000 0.987 256 Q CA 2.026 57.579 55.803 -0.416 0.000 0.858 256 Q CB -0.421 27.853 28.738 -0.774 0.000 0.905 256 Q HN 0.552 nan 8.270 nan 0.000 0.420 257 S N -0.440 115.148 115.700 -0.186 0.000 2.537 257 S HA -0.049 4.421 4.470 0.000 0.000 0.240 257 S C 1.276 175.637 174.600 -0.399 0.000 0.981 257 S CA 0.248 58.336 58.200 -0.187 0.000 0.948 257 S CB -0.332 62.803 63.200 -0.109 0.000 0.759 257 S HN 0.382 nan 8.310 nan 0.000 0.531 258 L N 2.046 123.041 121.223 -0.381 0.000 2.796 258 L HA 0.403 4.743 4.340 0.000 0.000 0.235 258 L C 1.423 177.599 176.870 -1.156 0.000 1.344 258 L CA -0.019 54.389 54.840 -0.721 0.000 1.245 258 L CB -0.754 41.212 42.059 -0.155 0.000 1.556 258 L HN 0.496 nan 8.230 nan 0.000 0.423 259 G N 0.378 108.513 108.800 -1.108 0.000 2.168 259 G HA2 -0.286 3.674 3.960 0.000 0.000 0.257 259 G HA3 -0.286 3.674 3.960 0.000 0.000 0.257 259 G C -0.080 174.702 174.900 -0.197 0.000 0.997 259 G CA -0.144 44.608 45.100 -0.579 0.000 0.708 259 G HN 0.284 nan 8.290 nan 0.000 0.520 260 L N 1.893 123.032 121.223 -0.140 0.000 2.350 260 L HA 0.499 4.839 4.340 0.000 0.000 0.275 260 L C -1.286 175.613 176.870 0.048 0.000 1.099 260 L CA -2.223 52.621 54.840 0.007 0.000 0.808 260 L CB 0.691 42.803 42.059 0.088 0.000 1.149 260 L HN -0.040 nan 8.230 nan 0.000 0.442 261 P HA 0.081 nan 4.420 nan 0.000 0.268 261 P C 0.595 178.015 177.300 0.200 0.000 1.205 261 P CA -0.147 63.017 63.100 0.107 0.000 0.771 261 P CB 0.609 32.360 31.700 0.084 0.000 0.858 262 M N 1.861 121.558 119.600 0.161 0.000 2.149 262 M HA -0.075 4.406 4.480 0.000 0.000 0.261 262 M C 1.621 178.093 176.300 0.287 0.000 1.064 262 M CA 1.808 57.236 55.300 0.215 0.000 1.102 262 M CB -1.186 31.479 32.600 0.108 0.000 1.369 262 M HN 0.696 nan 8.290 nan 0.000 0.408 263 G N 0.812 109.720 108.800 0.180 0.000 2.379 263 G HA2 -0.304 3.657 3.960 0.000 0.000 0.297 263 G HA3 -0.304 3.657 3.960 0.000 0.000 0.297 263 G C 0.233 175.251 174.900 0.198 0.000 1.004 263 G CA 0.342 45.522 45.100 0.133 0.000 0.921 263 G HN 0.608 nan 8.290 nan 0.000 0.511 264 F N -1.668 118.296 119.950 0.024 0.000 3.090 264 F HA -0.175 4.352 4.527 0.000 0.000 0.282 264 F C 1.644 177.454 175.800 0.018 0.000 0.923 264 F CA 2.388 60.396 58.000 0.012 0.000 0.977 264 F CB -1.049 37.949 39.000 -0.005 0.000 0.954 264 F HN 1.881 nan 8.300 nan 0.000 0.695 265 G N -0.797 108.008 108.800 0.009 0.000 2.179 265 G HA2 0.324 4.284 3.960 0.000 0.000 0.220 265 G HA3 0.324 4.284 3.960 0.000 0.000 0.220 265 G C 0.943 175.751 174.900 -0.153 0.000 0.990 265 G CA 0.455 45.531 45.100 -0.040 0.000 0.646 265 G HN 2.087 nan 8.290 nan 0.000 0.517 266 G N -0.571 108.045 108.800 -0.306 0.000 2.411 266 G HA2 0.705 4.665 3.960 0.000 0.000 0.295 266 G HA3 0.705 4.665 3.960 0.000 0.000 0.295 266 G C -3.167 171.546 174.900 -0.312 0.000 1.542 266 G CA 0.233 45.040 45.100 -0.488 0.000 0.814 266 G HN 0.623 nan 8.290 nan 0.000 0.557 267 P HA 0.631 nan 4.420 nan 0.000 0.285 267 P C -0.722 176.341 177.300 -0.395 0.000 1.269 267 P CA -0.199 62.722 63.100 -0.299 0.000 0.844 267 P CB 2.116 33.753 31.700 -0.104 0.000 1.094 268 H N -0.525 118.584 119.070 0.064 0.000 4.229 268 H HA 0.679 5.235 4.556 0.000 0.000 0.422 268 H C -0.668 174.789 175.328 0.214 0.000 1.416 268 H CA -0.480 55.628 56.048 0.100 0.000 0.985 268 H CB 0.899 30.656 29.762 -0.009 0.000 1.019 268 H HN 0.500 nan 8.280 nan 0.000 0.780 269 F N -1.309 118.744 119.950 0.172 0.000 2.741 269 F HA 0.712 5.239 4.527 0.000 0.000 0.311 269 F C -1.002 174.856 175.800 0.097 0.000 1.149 269 F CA -0.877 57.180 58.000 0.095 0.000 0.930 269 F CB 1.105 40.133 39.000 0.048 0.000 1.312 269 F HN 0.570 nan 8.300 nan 0.000 0.450 270 G N 0.793 109.684 108.800 0.151 0.000 2.481 270 G HA2 0.670 4.630 3.960 0.000 0.000 0.315 270 G HA3 0.670 4.630 3.960 0.000 0.000 0.315 270 G C -2.043 173.006 174.900 0.248 0.000 1.231 270 G CA -0.929 44.148 45.100 -0.038 0.000 0.968 270 G HN 0.992 nan 8.290 nan 0.000 0.482 271 F N 0.324 120.349 119.950 0.126 0.000 2.561 271 F HA 0.857 5.384 4.527 0.000 0.000 0.321 271 F C -1.328 174.512 175.800 0.068 0.000 1.065 271 F CA -2.174 55.950 58.000 0.206 0.000 0.934 271 F CB 2.244 41.391 39.000 0.244 0.000 1.215 271 F HN 0.426 nan 8.300 nan 0.000 0.471 272 L N 3.385 124.791 121.223 0.305 0.000 2.446 272 L HA 0.864 5.204 4.340 0.000 0.000 0.268 272 L C -1.309 175.678 176.870 0.195 0.000 0.975 272 L CA -0.874 54.058 54.840 0.154 0.000 0.848 272 L CB 0.952 43.034 42.059 0.038 0.000 1.225 272 L HN 1.084 nan 8.230 nan 0.000 0.410 273 A N 3.086 126.034 122.820 0.214 0.000 2.355 273 A HA 0.948 5.268 4.320 0.000 0.000 0.324 273 A C -0.314 177.341 177.584 0.119 0.000 1.117 273 A CA -0.011 52.106 52.037 0.134 0.000 0.785 273 A CB 1.796 20.861 19.000 0.108 0.000 1.254 273 A HN 0.773 nan 8.150 nan 0.000 0.453 274 T N -0.084 114.536 114.554 0.110 0.000 2.637 274 T HA 0.495 4.845 4.350 0.000 0.000 0.303 274 T C -1.290 173.485 174.700 0.126 0.000 1.288 274 T CA -0.501 61.698 62.100 0.166 0.000 1.040 274 T CB 0.704 69.714 68.868 0.236 0.000 1.644 274 T HN 0.559 nan 8.240 nan 0.000 0.480 275 K N 1.774 122.263 120.400 0.148 0.000 2.144 275 K HA 0.427 4.747 4.320 0.000 0.000 0.270 275 K C 1.008 177.540 176.600 -0.113 0.000 1.005 275 K CA -0.345 55.899 56.287 -0.071 0.000 0.932 275 K CB 0.884 33.183 32.500 -0.334 0.000 1.021 275 K HN 0.531 nan 8.250 nan 0.000 0.462 276 K N 1.716 122.050 120.400 -0.110 0.000 2.211 276 K HA -0.158 4.162 4.320 0.000 0.000 0.204 276 K C 1.345 177.873 176.600 -0.120 0.000 1.047 276 K CA 1.502 57.746 56.287 -0.072 0.000 0.935 276 K CB -0.025 32.444 32.500 -0.052 0.000 0.728 276 K HN 0.668 nan 8.250 nan 0.000 0.452 277 A N 0.031 122.681 122.820 -0.284 0.000 2.125 277 A HA -0.087 4.233 4.320 0.000 0.000 0.219 277 A C 1.007 178.434 177.584 -0.262 0.000 1.156 277 A CA 0.933 52.765 52.037 -0.342 0.000 0.671 277 A CB -0.330 18.356 19.000 -0.524 0.000 0.794 277 A HN 0.328 nan 8.150 nan 0.000 0.459 278 F N -2.124 117.842 119.950 0.025 0.000 2.653 278 F HA 0.193 4.721 4.527 0.000 0.000 0.304 278 F C 1.755 177.571 175.800 0.027 0.000 1.092 278 F CA -0.799 57.217 58.000 0.027 0.000 1.279 278 F CB -0.608 38.409 39.000 0.029 0.000 1.044 278 F HN 0.048 nan 8.300 nan 0.000 0.564 279 V N 1.154 121.156 119.914 0.147 0.000 2.453 279 V HA -0.302 3.818 4.120 0.000 0.000 0.252 279 V C 2.764 178.919 176.094 0.102 0.000 1.068 279 V CA 2.193 64.558 62.300 0.107 0.000 1.070 279 V CB -0.318 31.544 31.823 0.067 0.000 0.664 279 V HN 0.420 nan 8.190 nan 0.000 0.461 280 R N -0.790 119.773 120.500 0.104 0.000 2.120 280 R HA -0.157 4.183 4.340 0.000 0.000 0.234 280 R C 2.002 178.349 176.300 0.080 0.000 1.123 280 R CA 1.674 57.825 56.100 0.085 0.000 0.975 280 R CB -0.114 30.235 30.300 0.081 0.000 0.866 280 R HN 0.527 nan 8.270 nan 0.000 0.446 281 Q N 0.396 120.253 119.800 0.094 0.000 2.360 281 Q HA 0.033 4.373 4.340 0.000 0.000 0.202 281 Q C 0.049 176.081 176.000 0.053 0.000 0.915 281 Q CA -0.051 55.789 55.803 0.062 0.000 0.943 281 Q CB 0.124 28.887 28.738 0.043 0.000 1.064 281 Q HN 0.179 nan 8.270 nan 0.000 0.511 282 L N 4.097 125.363 121.223 0.072 0.000 2.477 282 L HA 0.122 4.463 4.340 0.000 0.000 0.272 282 L C -2.254 174.643 176.870 0.044 0.000 1.157 282 L CA -1.051 53.825 54.840 0.060 0.000 0.889 282 L CB 0.439 42.544 42.059 0.077 0.000 1.158 282 L HN -0.075 nan 8.230 nan 0.000 0.473 283 P HA 0.515 nan 4.420 nan 0.000 0.281 283 P C -0.241 177.064 177.300 0.009 0.000 1.264 283 P CA 0.068 63.175 63.100 0.013 0.000 0.824 283 P CB 1.447 33.140 31.700 -0.011 0.000 1.092 284 G N 0.545 109.349 108.800 0.007 0.000 2.757 284 G HA2 -0.156 3.804 3.960 0.000 0.000 0.638 284 G HA3 -0.156 3.804 3.960 0.000 0.000 0.638 284 G C -0.727 174.193 174.900 0.033 0.000 1.344 284 G CA -0.797 44.304 45.100 0.002 0.000 0.855 284 G HN 0.676 nan 8.290 nan 0.000 0.537 285 R N -1.071 119.445 120.500 0.026 0.000 2.582 285 R HA 0.652 4.992 4.340 0.000 0.000 0.271 285 R C 0.004 176.339 176.300 0.058 0.000 1.078 285 R CA -0.314 55.810 56.100 0.041 0.000 1.127 285 R CB 0.765 31.067 30.300 0.003 0.000 1.038 285 R HN 0.494 nan 8.270 nan 0.000 0.500 286 L N 2.258 123.527 121.223 0.077 0.000 2.470 286 L HA 0.394 4.734 4.340 0.000 0.000 0.268 286 L C -1.217 175.727 176.870 0.123 0.000 0.964 286 L CA -0.930 53.968 54.840 0.097 0.000 0.839 286 L CB 2.341 44.457 42.059 0.095 0.000 1.276 286 L HN 0.343 nan 8.230 nan 0.000 0.403 287 V N 2.579 122.590 119.914 0.162 0.000 2.472 287 V HA 0.529 4.649 4.120 0.000 0.000 0.290 287 V C 0.038 176.334 176.094 0.337 0.000 1.037 287 V CA -0.298 62.139 62.300 0.229 0.000 0.908 287 V CB 1.810 33.783 31.823 0.250 0.000 0.985 287 V HN 0.778 nan 8.190 nan 0.000 0.454 288 S N 2.862 118.738 115.700 0.294 0.000 2.542 288 S HA 0.501 4.971 4.470 0.000 0.000 0.293 288 S C -0.623 174.074 174.600 0.161 0.000 1.089 288 S CA -0.667 57.700 58.200 0.279 0.000 0.961 288 S CB 1.723 65.017 63.200 0.157 0.000 1.062 288 S HN 0.866 nan 8.310 nan 0.000 0.483 289 E N 1.340 121.553 120.200 0.022 0.000 2.366 289 E HA 0.489 4.839 4.350 0.000 0.000 0.266 289 E C -0.197 176.238 176.600 -0.273 0.000 1.051 289 E CA -0.073 56.089 56.400 -0.397 0.000 0.884 289 E CB 1.095 30.531 29.700 -0.439 0.000 1.006 289 E HN 0.644 nan 8.360 nan 0.000 0.417 290 T N 1.622 115.940 114.554 -0.392 0.000 2.630 290 T HA 0.436 4.786 4.350 0.000 0.000 0.300 290 T C -1.838 172.708 174.700 -0.256 0.000 1.261 290 T CA -0.341 61.622 62.100 -0.227 0.000 1.060 290 T CB 1.245 70.031 68.868 -0.137 0.000 1.670 290 T HN 0.308 nan 8.240 nan 0.000 0.473 291 V N 1.786 121.602 119.914 -0.165 0.000 3.114 291 V HA 0.674 4.794 4.120 0.000 0.000 0.308 291 V C -1.519 174.515 176.094 -0.099 0.000 1.168 291 V CA -0.523 61.691 62.300 -0.143 0.000 1.015 291 V CB 2.150 33.909 31.823 -0.107 0.000 1.050 291 V HN 1.118 nan 8.190 nan 0.000 0.433 292 D N 3.011 123.360 120.400 -0.084 0.000 2.437 292 D HA 0.177 4.817 4.640 0.000 0.000 0.259 292 D C 1.202 177.477 176.300 -0.042 0.000 1.118 292 D CA 0.251 54.218 54.000 -0.056 0.000 1.017 292 D CB 1.455 42.227 40.800 -0.048 0.000 1.120 292 D HN 0.384 nan 8.370 nan 0.000 0.541 293 V N 0.107 120.003 119.914 -0.030 0.000 2.439 293 V HA -0.248 3.872 4.120 0.000 0.000 0.253 293 V C 1.559 177.639 176.094 -0.023 0.000 1.074 293 V CA 2.229 64.515 62.300 -0.023 0.000 1.076 293 V CB -0.587 31.226 31.823 -0.016 0.000 0.664 293 V HN 0.587 nan 8.190 nan 0.000 0.461 294 E N -0.807 119.378 120.200 -0.025 0.000 2.479 294 E HA 0.260 4.610 4.350 0.000 0.000 0.193 294 E C 1.420 178.003 176.600 -0.029 0.000 1.049 294 E CA 0.521 56.907 56.400 -0.023 0.000 0.870 294 E CB 0.256 29.944 29.700 -0.020 0.000 0.944 294 E HN 0.778 nan 8.360 nan 0.000 0.492 295 G N 2.181 110.959 108.800 -0.037 0.000 2.141 295 G HA2 -0.279 3.681 3.960 0.000 0.000 0.231 295 G HA3 -0.279 3.681 3.960 0.000 0.000 0.231 295 G C 0.100 174.966 174.900 -0.056 0.000 0.984 295 G CA -0.332 44.741 45.100 -0.044 0.000 0.660 295 G HN 0.124 nan 8.290 nan 0.000 0.525 296 R N 0.206 120.671 120.500 -0.058 0.000 2.441 296 R HA 0.436 4.776 4.340 0.000 0.000 0.284 296 R C 0.908 177.140 176.300 -0.112 0.000 1.070 296 R CA -0.663 55.396 56.100 -0.068 0.000 1.047 296 R CB 0.861 31.131 30.300 -0.051 0.000 1.016 296 R HN 0.361 nan 8.270 nan 0.000 0.477 297 R N 0.925 121.344 120.500 -0.136 0.000 2.623 297 R HA 0.153 4.493 4.340 0.000 0.000 0.271 297 R C -0.314 175.797 176.300 -0.314 0.000 1.043 297 R CA 0.483 56.433 56.100 -0.250 0.000 1.083 297 R CB 0.508 30.667 30.300 -0.235 0.000 0.974 297 R HN 0.831 nan 8.270 nan 0.000 0.436 298 G N 2.247 110.737 108.800 -0.517 0.000 2.695 298 G HA2 0.601 4.561 3.960 0.000 0.000 0.290 298 G HA3 0.601 4.561 3.960 0.000 0.000 0.290 298 G C -1.820 172.581 174.900 -0.832 0.000 1.410 298 G CA -0.706 44.120 45.100 -0.455 0.000 0.844 298 G HN 0.420 nan 8.290 nan 0.000 0.478 299 F N -0.490 119.400 119.950 -0.101 0.000 2.576 299 F HA 0.807 5.334 4.527 0.000 0.000 0.313 299 F C 0.021 175.798 175.800 -0.038 0.000 1.078 299 F CA -0.819 57.115 58.000 -0.110 0.000 0.921 299 F CB 2.671 41.596 39.000 -0.125 0.000 1.232 299 F HN 0.443 nan 8.300 nan 0.000 0.459 300 I N 1.907 122.573 120.570 0.159 0.000 2.908 300 I HA 0.381 4.551 4.170 0.000 0.000 0.300 300 I C -1.620 174.572 176.117 0.124 0.000 1.385 300 I CA -0.790 60.577 61.300 0.112 0.000 1.004 300 I CB 1.890 39.927 38.000 0.062 0.000 1.309 300 I HN 0.421 nan 8.210 nan 0.000 0.449 301 L N 4.621 125.909 121.223 0.109 0.000 2.453 301 L HA 0.289 4.629 4.340 0.000 0.000 0.272 301 L C 0.237 177.175 176.870 0.113 0.000 1.182 301 L CA 0.569 55.475 54.840 0.111 0.000 0.858 301 L CB 0.972 43.099 42.059 0.114 0.000 1.120 301 L HN 0.618 nan 8.230 nan 0.000 0.474 302 T N 2.725 117.346 114.554 0.111 0.000 2.831 302 T HA 0.467 4.817 4.350 0.000 0.000 0.287 302 T C 0.168 174.925 174.700 0.094 0.000 1.070 302 T CA -0.626 61.533 62.100 0.098 0.000 1.010 302 T CB 0.771 69.696 68.868 0.094 0.000 1.264 302 T HN 0.515 nan 8.240 nan 0.000 0.532 303 L N 1.739 123.011 121.223 0.082 0.000 3.833 303 L HA -0.221 4.119 4.340 0.000 0.000 0.447 303 L C 1.331 178.251 176.870 0.084 0.000 1.213 303 L CA 0.398 55.284 54.840 0.076 0.000 0.801 303 L CB -1.196 40.907 42.059 0.072 0.000 1.676 303 L HN 0.783 nan 8.230 nan 0.000 0.883 304 Q N -0.058 119.800 119.800 0.096 0.000 2.541 304 Q HA -0.030 4.310 4.340 0.000 0.000 0.215 304 Q C 2.151 178.212 176.000 0.101 0.000 0.977 304 Q CA 0.819 56.690 55.803 0.114 0.000 0.934 304 Q CB 0.130 28.954 28.738 0.143 0.000 0.988 304 Q HN 0.789 nan 8.270 nan 0.000 0.521 305 A N 0.709 123.575 122.820 0.076 0.000 2.168 305 A HA -0.116 4.204 4.320 0.000 0.000 0.215 305 A C 1.721 179.337 177.584 0.054 0.000 1.152 305 A CA 0.634 52.705 52.037 0.057 0.000 0.716 305 A CB -0.043 18.984 19.000 0.044 0.000 0.794 305 A HN 0.231 nan 8.150 nan 0.000 0.465 306 R N 0.143 120.680 120.500 0.063 0.000 2.275 306 R HA 0.081 4.421 4.340 0.000 0.000 0.199 306 R C 0.053 176.390 176.300 0.062 0.000 0.989 306 R CA 0.477 56.612 56.100 0.058 0.000 1.016 306 R CB 0.105 30.441 30.300 0.060 0.000 0.918 306 R HN 0.624 nan 8.270 nan 0.000 0.473 307 E N 0.234 120.481 120.200 0.079 0.000 2.239 307 E HA 0.007 4.357 4.350 0.000 0.000 0.261 307 E C 0.461 177.117 176.600 0.094 0.000 1.016 307 E CA -0.492 55.964 56.400 0.094 0.000 0.882 307 E CB 0.950 30.726 29.700 0.127 0.000 1.190 307 E HN -0.015 nan 8.360 nan 0.000 0.415 308 Q N 0.285 120.149 119.800 0.106 0.000 2.124 308 Q HA -0.268 4.073 4.340 0.000 0.000 0.202 308 Q C 1.784 177.844 176.000 0.100 0.000 0.977 308 Q CA 1.670 57.530 55.803 0.094 0.000 0.850 308 Q CB -0.644 28.155 28.738 0.103 0.000 0.901 308 Q HN 0.712 nan 8.270 nan 0.000 0.429 309 Y N 0.795 121.115 120.300 0.033 0.000 2.128 309 Y HA -0.166 4.384 4.550 0.000 0.000 0.284 309 Y C 1.764 177.665 175.900 0.002 0.000 1.154 309 Y CA 1.808 59.912 58.100 0.007 0.000 1.149 309 Y CB -0.113 38.331 38.460 -0.027 0.000 0.976 309 Y HN 0.166 nan 8.280 nan 0.000 0.505 310 I N -0.981 119.525 120.570 -0.107 0.000 2.429 310 I HA -0.100 4.070 4.170 0.000 0.000 0.247 310 I C 2.243 178.291 176.117 -0.114 0.000 1.099 310 I CA 0.904 62.093 61.300 -0.185 0.000 1.422 310 I CB -0.189 37.806 38.000 -0.009 0.000 1.112 310 I HN -0.031 nan 8.210 nan 0.000 0.430 311 R N 0.606 121.084 120.500 -0.036 0.000 2.246 311 R HA 0.093 4.433 4.340 0.000 0.000 0.199 311 R C 1.140 177.427 176.300 -0.023 0.000 0.984 311 R CA 0.300 56.388 56.100 -0.021 0.000 1.015 311 R CB -0.035 30.271 30.300 0.010 0.000 0.930 311 R HN 0.131 nan 8.270 nan 0.000 0.475 312 R N -1.765 118.721 120.500 -0.023 0.000 3.753 312 R HA -0.360 3.980 4.340 0.000 0.000 0.472 312 R C 1.574 177.875 176.300 0.002 0.000 0.242 312 R CA 2.002 58.095 56.100 -0.013 0.000 1.482 312 R CB -1.893 28.385 30.300 -0.038 0.000 0.920 312 R HN 0.293 nan 8.270 nan 0.000 0.594 313 A N 0.930 123.747 122.820 -0.004 0.000 1.978 313 A HA -0.175 4.145 4.320 0.000 0.000 0.220 313 A C 1.602 179.191 177.584 0.007 0.000 1.170 313 A CA 2.089 54.128 52.037 0.002 0.000 0.636 313 A CB -0.356 18.642 19.000 -0.002 0.000 0.810 313 A HN 0.457 nan 8.150 nan 0.000 0.448 314 K N -0.274 120.129 120.400 0.005 0.000 2.410 314 K HA 0.418 4.738 4.320 0.000 0.000 0.200 314 K C 0.454 177.064 176.600 0.018 0.000 1.023 314 K CA 0.155 56.448 56.287 0.010 0.000 1.149 314 K CB 0.237 32.741 32.500 0.007 0.000 0.859 314 K HN 0.424 nan 8.250 nan 0.000 0.514 315 A N 1.621 124.454 122.820 0.022 0.000 2.466 315 A HA 0.015 4.335 4.320 0.000 0.000 0.238 315 A C 0.987 178.592 177.584 0.035 0.000 1.074 315 A CA -0.071 51.985 52.037 0.033 0.000 0.774 315 A CB 0.414 19.439 19.000 0.042 0.000 1.015 315 A HN 0.045 nan 8.150 nan 0.000 0.498 316 K N 0.278 120.701 120.400 0.037 0.000 2.209 316 K HA -0.012 4.308 4.320 0.000 0.000 0.204 316 K C 0.795 177.417 176.600 0.036 0.000 1.048 316 K CA 1.426 57.733 56.287 0.034 0.000 0.940 316 K CB -0.387 32.132 32.500 0.033 0.000 0.729 316 K HN 0.670 nan 8.250 nan 0.000 0.451 317 S N -0.083 115.642 115.700 0.042 0.000 2.615 317 S HA 0.210 4.680 4.470 0.000 0.000 0.269 317 S C -0.326 174.310 174.600 0.060 0.000 1.161 317 S CA -0.597 57.634 58.200 0.051 0.000 0.817 317 S CB 0.890 64.109 63.200 0.033 0.000 1.131 317 S HN 0.204 nan 8.310 nan 0.000 0.467 318 N N 1.812 120.557 118.700 0.076 0.000 2.336 318 N HA 0.098 4.839 4.740 0.000 0.000 0.189 318 N C 0.617 176.191 175.510 0.106 0.000 1.113 318 N CA -0.141 52.960 53.050 0.085 0.000 0.858 318 N CB -0.475 38.062 38.487 0.083 0.000 0.970 318 N HN 0.679 nan 8.380 nan 0.000 0.471 319 I N 1.192 121.815 120.570 0.088 0.000 2.821 319 I HA -0.148 4.022 4.170 0.000 0.000 0.294 319 I C 0.207 176.383 176.117 0.097 0.000 1.210 319 I CA 0.637 61.986 61.300 0.082 0.000 1.430 319 I CB 0.594 38.547 38.000 -0.079 0.000 1.356 319 I HN 0.136 nan 8.210 nan 0.000 0.563 320 T N 4.385 119.025 114.554 0.142 0.000 3.479 320 T HA 0.086 4.436 4.350 0.000 0.000 0.197 320 T C 0.384 175.151 174.700 0.111 0.000 0.912 320 T CA -0.122 62.061 62.100 0.138 0.000 1.281 320 T CB 0.021 68.986 68.868 0.162 0.000 1.588 320 T HN 0.555 nan 8.240 nan 0.000 0.389 321 T N 4.138 118.774 114.554 0.138 0.000 2.928 321 T HA 0.204 4.554 4.350 0.000 0.000 0.305 321 T C 0.563 175.368 174.700 0.175 0.000 1.035 321 T CA -0.176 61.989 62.100 0.107 0.000 1.145 321 T CB 0.228 69.167 68.868 0.118 0.000 0.963 321 T HN 0.540 nan 8.240 nan 0.000 0.545 322 N N 2.035 120.786 118.700 0.084 0.000 2.677 322 N HA 0.586 5.326 4.740 0.000 0.000 0.256 322 N C -0.364 175.220 175.510 0.123 0.000 1.441 322 N CA -0.527 52.575 53.050 0.087 0.000 0.902 322 N CB 0.205 38.670 38.487 -0.037 0.000 1.540 322 N HN 0.519 nan 8.380 nan 0.000 0.382 323 A N -1.208 121.635 122.820 0.038 0.000 2.806 323 A HA 0.306 4.626 4.320 0.000 0.000 0.266 323 A C 0.873 178.389 177.584 -0.113 0.000 0.926 323 A CA -0.284 51.775 52.037 0.036 0.000 1.068 323 A CB -0.066 19.025 19.000 0.153 0.000 1.189 323 A HN 0.415 nan 8.150 nan 0.000 0.481 324 Q N -0.109 119.597 119.800 -0.157 0.000 2.014 324 Q HA -0.210 4.130 4.340 0.000 0.000 0.207 324 Q C 1.771 177.598 176.000 -0.289 0.000 0.993 324 Q CA 2.422 58.069 55.803 -0.260 0.000 0.850 324 Q CB -0.342 28.273 28.738 -0.205 0.000 0.916 324 Q HN 0.678 nan 8.270 nan 0.000 0.417 325 L N -0.067 121.048 121.223 -0.180 0.000 2.012 325 L HA -0.194 4.146 4.340 0.000 0.000 0.210 325 L C 2.204 178.956 176.870 -0.197 0.000 1.073 325 L CA 2.708 57.449 54.840 -0.165 0.000 0.748 325 L CB -1.225 40.788 42.059 -0.077 0.000 0.891 325 L HN 0.569 nan 8.230 nan 0.000 0.431 326 T N -3.103 111.365 114.554 -0.143 0.000 2.867 326 T HA -0.045 4.306 4.350 0.000 0.000 0.268 326 T C 1.891 176.362 174.700 -0.380 0.000 1.057 326 T CA 0.856 62.910 62.100 -0.077 0.000 1.136 326 T CB -0.828 68.124 68.868 0.141 0.000 0.874 326 T HN 0.368 nan 8.240 nan 0.000 0.466 327 A N 1.465 123.823 122.820 -0.770 0.000 1.930 327 A HA 0.145 4.465 4.320 0.000 0.000 0.217 327 A C 2.244 179.243 177.584 -0.974 0.000 1.175 327 A CA 1.045 52.122 52.037 -1.599 0.000 0.627 327 A CB -0.828 17.231 19.000 -1.569 0.000 0.815 327 A HN 0.401 nan 8.150 nan 0.000 0.443 328 L N -0.772 120.078 121.223 -0.623 0.000 2.093 328 L HA -0.093 4.247 4.340 0.000 0.000 0.208 328 L C 2.672 179.373 176.870 -0.281 0.000 1.085 328 L CA 1.682 56.272 54.840 -0.418 0.000 0.755 328 L CB -0.631 41.168 42.059 -0.433 0.000 0.904 328 L HN 0.394 nan 8.230 nan 0.000 0.435 329 M N -1.568 117.894 119.600 -0.231 0.000 2.159 329 M HA -0.123 4.357 4.480 0.000 0.000 0.263 329 M C 2.218 178.521 176.300 0.004 0.000 1.063 329 M CA 1.704 56.949 55.300 -0.091 0.000 1.110 329 M CB -0.917 31.664 32.600 -0.032 0.000 1.374 329 M HN 0.369 nan 8.290 nan 0.000 0.411 330 G N -0.010 108.780 108.800 -0.017 0.000 2.402 330 G HA2 -0.117 3.843 3.960 0.000 0.000 0.216 330 G HA3 -0.117 3.843 3.960 0.000 0.000 0.216 330 G C 1.639 176.637 174.900 0.164 0.000 1.162 330 G CA 0.916 46.120 45.100 0.173 0.000 0.777 330 G HN 0.529 nan 8.290 nan 0.000 0.539 331 A N 0.701 123.564 122.820 0.071 0.000 1.902 331 A HA 0.013 4.333 4.320 0.000 0.000 0.217 331 A C 2.464 180.065 177.584 0.028 0.000 1.181 331 A CA 1.831 53.908 52.037 0.068 0.000 0.623 331 A CB -0.364 18.666 19.000 0.051 0.000 0.818 331 A HN 0.392 nan 8.150 nan 0.000 0.443 332 M N -2.435 117.165 119.600 0.001 0.000 2.159 332 M HA -0.119 4.361 4.480 0.000 0.000 0.263 332 M C 2.234 178.563 176.300 0.049 0.000 1.063 332 M CA 1.809 57.107 55.300 -0.004 0.000 1.110 332 M CB -0.472 32.108 32.600 -0.034 0.000 1.374 332 M HN 0.600 nan 8.290 nan 0.000 0.411 333 Y N 1.362 121.653 120.300 -0.015 0.000 2.145 333 Y HA -0.191 4.359 4.550 0.000 0.000 0.286 333 Y C 1.943 177.844 175.900 0.001 0.000 1.145 333 Y CA 1.651 59.753 58.100 0.002 0.000 1.148 333 Y CB -0.221 38.252 38.460 0.023 0.000 0.981 333 Y HN 0.060 nan 8.280 nan 0.000 0.507 334 L N -0.502 120.791 121.223 0.117 0.000 2.083 334 L HA -0.223 4.117 4.340 0.000 0.000 0.209 334 L C 2.739 179.572 176.870 -0.061 0.000 1.083 334 L CA 1.165 56.015 54.840 0.017 0.000 0.752 334 L CB -0.961 41.125 42.059 0.046 0.000 0.899 334 L HN 0.338 nan 8.230 nan 0.000 0.433 335 A N -0.036 122.758 122.820 -0.044 0.000 1.898 335 A HA -0.091 4.229 4.320 0.000 0.000 0.216 335 A C 2.537 180.078 177.584 -0.072 0.000 1.181 335 A CA 1.501 53.507 52.037 -0.051 0.000 0.620 335 A CB -0.623 18.357 19.000 -0.034 0.000 0.819 335 A HN 0.377 nan 8.150 nan 0.000 0.442 336 A N -0.686 122.075 122.820 -0.097 0.000 1.933 336 A HA 0.003 4.323 4.320 0.000 0.000 0.218 336 A C 2.019 179.514 177.584 -0.148 0.000 1.175 336 A CA 1.589 53.560 52.037 -0.110 0.000 0.628 336 A CB -0.339 18.592 19.000 -0.115 0.000 0.814 336 A HN 0.384 nan 8.150 nan 0.000 0.444 337 L N -1.802 119.280 121.223 -0.235 0.000 2.202 337 L HA 0.212 4.552 4.340 0.000 0.000 0.205 337 L C 1.549 178.345 176.870 -0.124 0.000 1.083 337 L CA 1.702 56.412 54.840 -0.218 0.000 0.790 337 L CB -2.105 39.740 42.059 -0.356 0.000 0.942 337 L HN 0.651 nan 8.230 nan 0.000 0.452 338 G N 0.206 108.943 108.800 -0.105 0.000 2.828 338 G HA2 -0.216 3.744 3.960 0.000 0.000 0.463 338 G HA3 -0.216 3.744 3.960 0.000 0.000 0.463 338 G C -1.650 173.218 174.900 -0.054 0.000 1.394 338 G CA -0.098 44.963 45.100 -0.066 0.000 0.862 338 G HN 0.136 nan 8.290 nan 0.000 0.540 339 P HA -0.087 nan 4.420 nan 0.000 0.215 339 P C 1.301 178.589 177.300 -0.020 0.000 1.157 339 P CA 2.038 65.122 63.100 -0.028 0.000 0.863 339 P CB 0.149 31.834 31.700 -0.026 0.000 0.787 340 E N 0.302 120.489 120.200 -0.021 0.000 2.112 340 E HA -0.044 4.306 4.350 0.000 0.000 0.190 340 E C 2.309 178.899 176.600 -0.017 0.000 0.979 340 E CA 1.538 57.929 56.400 -0.014 0.000 0.814 340 E CB -1.372 28.319 29.700 -0.014 0.000 0.762 340 E HN 0.185 nan 8.360 nan 0.000 0.460 341 G N 0.788 109.568 108.800 -0.033 0.000 2.418 341 G HA2 -0.246 3.714 3.960 0.000 0.000 0.217 341 G HA3 -0.246 3.714 3.960 0.000 0.000 0.217 341 G C 1.509 176.388 174.900 -0.035 0.000 1.158 341 G CA 0.941 46.015 45.100 -0.045 0.000 0.771 341 G HN 0.349 nan 8.290 nan 0.000 0.545 342 L N 0.546 121.748 121.223 -0.035 0.000 2.046 342 L HA 0.094 4.434 4.340 0.000 0.000 0.208 342 L C 2.775 179.672 176.870 0.044 0.000 1.077 342 L CA 2.115 56.960 54.840 0.009 0.000 0.747 342 L CB -0.535 41.535 42.059 0.018 0.000 0.896 342 L HN 0.254 nan 8.230 nan 0.000 0.432 343 R N -0.453 120.066 120.500 0.031 0.000 2.091 343 R HA -0.190 4.150 4.340 0.000 0.000 0.238 343 R C 2.118 178.443 176.300 0.040 0.000 1.136 343 R CA 1.916 58.042 56.100 0.044 0.000 0.959 343 R CB -0.222 30.094 30.300 0.027 0.000 0.856 343 R HN 0.532 nan 8.270 nan 0.000 0.437 344 E N -0.299 119.916 120.200 0.024 0.000 2.051 344 E HA -0.177 4.173 4.350 0.000 0.000 0.192 344 E C 2.049 178.670 176.600 0.035 0.000 0.991 344 E CA 1.631 58.042 56.400 0.020 0.000 0.799 344 E CB -0.045 29.661 29.700 0.010 0.000 0.748 344 E HN 0.165 nan 8.360 nan 0.000 0.449 345 V N 1.605 121.551 119.914 0.052 0.000 2.287 345 V HA -0.308 3.812 4.120 0.000 0.000 0.248 345 V C 2.383 178.532 176.094 0.091 0.000 1.053 345 V CA 1.956 64.308 62.300 0.087 0.000 1.027 345 V CB -0.832 31.064 31.823 0.122 0.000 0.646 345 V HN 0.333 nan 8.190 nan 0.000 0.447 346 A N -0.330 122.547 122.820 0.095 0.000 1.865 346 A HA -0.192 4.128 4.320 0.000 0.000 0.217 346 A C 2.240 179.815 177.584 -0.016 0.000 1.191 346 A CA 2.006 54.109 52.037 0.110 0.000 0.623 346 A CB -0.640 18.491 19.000 0.219 0.000 0.826 346 A HN 0.489 nan 8.150 nan 0.000 0.444 347 L N -1.070 120.149 121.223 -0.006 0.000 2.083 347 L HA -0.209 4.132 4.340 0.000 0.000 0.209 347 L C 2.644 179.468 176.870 -0.075 0.000 1.083 347 L CA 1.841 56.641 54.840 -0.067 0.000 0.752 347 L CB -0.341 41.700 42.059 -0.030 0.000 0.899 347 L HN 0.349 nan 8.230 nan 0.000 0.433 348 K N 0.416 120.808 120.400 -0.014 0.000 2.057 348 K HA -0.150 4.171 4.320 0.000 0.000 0.207 348 K C 2.281 178.900 176.600 0.032 0.000 1.049 348 K CA 1.801 58.096 56.287 0.013 0.000 0.931 348 K CB -0.301 32.226 32.500 0.044 0.000 0.714 348 K HN 0.360 nan 8.250 nan 0.000 0.440 349 S N -0.766 114.961 115.700 0.045 0.000 2.402 349 S HA -0.088 4.382 4.470 0.000 0.000 0.229 349 S C 2.038 176.649 174.600 0.018 0.000 1.021 349 S CA 1.178 59.432 58.200 0.090 0.000 0.974 349 S CB -0.615 62.691 63.200 0.176 0.000 0.800 349 S HN 0.037 nan 8.310 nan 0.000 0.484 350 V N 2.378 122.192 119.914 -0.167 0.000 2.358 350 V HA -0.145 3.975 4.120 0.000 0.000 0.246 350 V C 2.832 178.849 176.094 -0.129 0.000 1.047 350 V CA 2.116 64.261 62.300 -0.259 0.000 1.035 350 V CB -0.858 30.618 31.823 -0.577 0.000 0.658 350 V HN 0.639 nan 8.190 nan 0.000 0.452 351 E N -0.139 119.985 120.200 -0.127 0.000 2.058 351 E HA -0.260 4.091 4.350 0.000 0.000 0.194 351 E C 2.282 178.927 176.600 0.075 0.000 0.997 351 E CA 1.638 57.996 56.400 -0.069 0.000 0.801 351 E CB -0.081 29.594 29.700 -0.042 0.000 0.746 351 E HN 0.358 nan 8.360 nan 0.000 0.450 352 M N 0.417 120.088 119.600 0.117 0.000 2.159 352 M HA -0.068 4.412 4.480 0.000 0.000 0.263 352 M C 2.390 178.843 176.300 0.256 0.000 1.063 352 M CA 1.419 56.828 55.300 0.182 0.000 1.110 352 M CB -1.256 31.473 32.600 0.215 0.000 1.374 352 M HN 0.241 nan 8.290 nan 0.000 0.411 353 A N -0.630 122.385 122.820 0.324 0.000 1.902 353 A HA -0.183 4.138 4.320 0.000 0.000 0.217 353 A C 1.935 179.839 177.584 0.533 0.000 1.181 353 A CA 1.739 54.073 52.037 0.496 0.000 0.623 353 A CB -0.970 18.361 19.000 0.551 0.000 0.818 353 A HN 0.468 nan 8.150 nan 0.000 0.443 354 H N -0.146 119.070 119.070 0.245 0.000 2.389 354 H HA 0.008 4.564 4.556 0.000 0.000 0.299 354 H C 2.008 177.390 175.328 0.090 0.000 1.081 354 H CA 1.682 57.810 56.048 0.134 0.000 1.345 354 H CB -0.074 29.656 29.762 -0.054 0.000 1.393 354 H HN 0.493 nan 8.280 nan 0.000 0.520 355 K N -0.222 120.299 120.400 0.203 0.000 2.057 355 K HA -0.103 4.217 4.320 0.000 0.000 0.206 355 K C 1.992 178.633 176.600 0.068 0.000 1.050 355 K CA 0.981 57.333 56.287 0.109 0.000 0.935 355 K CB -0.183 32.373 32.500 0.092 0.000 0.715 355 K HN 0.080 nan 8.250 nan 0.000 0.439 356 L N 1.038 122.325 121.223 0.106 0.000 2.046 356 L HA -0.196 4.144 4.340 0.000 0.000 0.208 356 L C 2.409 179.251 176.870 -0.046 0.000 1.077 356 L CA 1.834 56.697 54.840 0.038 0.000 0.747 356 L CB -0.653 41.485 42.059 0.132 0.000 0.896 356 L HN 0.317 nan 8.230 nan 0.000 0.432 357 H N -0.192 118.721 119.070 -0.262 0.000 2.319 357 H HA -0.162 4.395 4.556 0.000 0.000 0.299 357 H C 1.918 177.039 175.328 -0.346 0.000 1.092 357 H CA 1.780 57.410 56.048 -0.696 0.000 1.302 357 H CB 0.094 29.247 29.762 -1.014 0.000 1.373 357 H HN 0.464 nan 8.280 nan 0.000 0.497 358 A N 1.199 124.005 122.820 -0.024 0.000 1.908 358 A HA -0.113 4.207 4.320 0.000 0.000 0.218 358 A C 2.930 180.444 177.584 -0.116 0.000 1.181 358 A CA 1.416 53.434 52.037 -0.033 0.000 0.627 358 A CB -0.857 18.154 19.000 0.018 0.000 0.818 358 A HN 0.433 nan 8.150 nan 0.000 0.445 359 L N -1.279 119.872 121.223 -0.120 0.000 2.056 359 L HA -0.138 4.203 4.340 0.000 0.000 0.207 359 L C 2.306 179.058 176.870 -0.196 0.000 1.078 359 L CA 0.605 55.363 54.840 -0.137 0.000 0.749 359 L CB -0.450 41.534 42.059 -0.126 0.000 0.901 359 L HN 0.269 nan 8.230 nan 0.000 0.433 360 L N -0.752 120.309 121.223 -0.270 0.000 2.275 360 L HA -0.169 4.171 4.340 0.000 0.000 0.215 360 L C 2.170 178.858 176.870 -0.303 0.000 1.119 360 L CA 1.301 55.945 54.840 -0.327 0.000 0.790 360 L CB -0.706 41.094 42.059 -0.432 0.000 0.919 360 L HN 0.149 nan 8.230 nan 0.000 0.443 361 L N -0.771 120.260 121.223 -0.320 0.000 2.353 361 L HA -0.152 4.188 4.340 0.000 0.000 0.220 361 L C 2.221 178.991 176.870 -0.165 0.000 1.133 361 L CA 1.335 56.017 54.840 -0.263 0.000 0.798 361 L CB -0.632 41.276 42.059 -0.250 0.000 0.922 361 L HN 0.371 nan 8.230 nan 0.000 0.445 362 E N -1.427 118.683 120.200 -0.150 0.000 2.478 362 E HA 0.037 4.387 4.350 0.000 0.000 0.194 362 E C 0.306 176.843 176.600 -0.106 0.000 1.045 362 E CA -0.160 56.174 56.400 -0.110 0.000 0.868 362 E CB 0.360 30.002 29.700 -0.096 0.000 0.885 362 E HN 0.148 nan 8.360 nan 0.000 0.505 363 V N 4.669 124.505 119.914 -0.129 0.000 2.521 363 V HA 0.043 4.163 4.120 0.000 0.000 0.286 363 V C -1.928 174.112 176.094 -0.088 0.000 1.034 363 V CA -1.403 60.827 62.300 -0.115 0.000 1.045 363 V CB 0.205 31.942 31.823 -0.142 0.000 0.974 363 V HN 0.074 nan 8.190 nan 0.000 0.480 364 P HA 0.062 nan 4.420 nan 0.000 0.262 364 P C 0.977 178.249 177.300 -0.045 0.000 1.182 364 P CA 1.297 64.366 63.100 -0.052 0.000 0.761 364 P CB 0.630 32.304 31.700 -0.043 0.000 0.795 365 G N 1.721 110.499 108.800 -0.037 0.000 2.245 365 G HA2 -0.244 3.717 3.960 0.000 0.000 0.264 365 G HA3 -0.244 3.717 3.960 0.000 0.000 0.264 365 G C 0.111 174.994 174.900 -0.028 0.000 0.985 365 G CA 0.092 45.176 45.100 -0.027 0.000 0.625 365 G HN 0.563 nan 8.290 nan 0.000 0.536 366 V N 0.825 120.711 119.914 -0.047 0.000 2.583 366 V HA 0.671 4.791 4.120 0.000 0.000 0.287 366 V C 0.739 176.804 176.094 -0.049 0.000 1.051 366 V CA 0.027 62.296 62.300 -0.052 0.000 1.010 366 V CB 1.425 33.189 31.823 -0.098 0.000 0.988 366 V HN 0.427 nan 8.190 nan 0.000 0.478 367 R N 5.524 126.013 120.500 -0.018 0.000 2.686 367 R HA 0.563 4.903 4.340 0.000 0.000 0.286 367 R C -2.705 173.611 176.300 0.027 0.000 0.969 367 R CA -1.850 54.251 56.100 0.002 0.000 0.898 367 R CB 2.414 32.740 30.300 0.043 0.000 1.183 367 R HN 0.447 nan 8.270 nan 0.000 0.456 368 P HA 0.127 nan 4.420 nan 0.000 0.274 368 P C -0.709 176.700 177.300 0.182 0.000 1.237 368 P CA 0.038 63.175 63.100 0.062 0.000 0.793 368 P CB 0.950 32.686 31.700 0.060 0.000 0.977 369 F N 0.136 120.122 119.950 0.060 0.000 2.102 369 F HA 0.184 4.711 4.527 0.000 0.000 0.254 369 F C 0.572 176.410 175.800 0.064 0.000 0.975 369 F CA 0.469 58.504 58.000 0.057 0.000 1.176 369 F CB -0.331 38.699 39.000 0.050 0.000 1.358 369 F HN 0.074 nan 8.300 nan 0.000 0.728 370 T N 5.329 119.966 114.554 0.138 0.000 2.871 370 T HA 0.142 4.492 4.350 0.000 0.000 0.296 370 T C -2.375 172.335 174.700 0.016 0.000 0.998 370 T CA -0.584 61.536 62.100 0.033 0.000 1.162 370 T CB 0.358 69.256 68.868 0.050 0.000 0.947 370 T HN 0.097 nan 8.240 nan 0.000 0.536 371 P HA 0.344 nan 4.420 nan 0.000 0.278 371 P C -0.617 176.770 177.300 0.146 0.000 1.258 371 P CA -0.803 62.319 63.100 0.037 0.000 0.811 371 P CB 1.064 32.751 31.700 -0.022 0.000 1.063 372 K N 1.573 122.025 120.400 0.088 0.000 2.185 372 K HA 0.379 4.699 4.320 0.000 0.000 0.271 372 K C -1.690 174.920 176.600 0.017 0.000 1.013 372 K CA -1.366 54.931 56.287 0.016 0.000 0.943 372 K CB -0.163 32.286 32.500 -0.085 0.000 0.998 372 K HN 0.463 nan 8.250 nan 0.000 0.468 373 P HA 0.247 nan 4.420 nan 0.000 0.286 373 P C -1.252 176.093 177.300 0.075 0.000 1.261 373 P CA -0.521 62.553 63.100 -0.044 0.000 0.821 373 P CB 0.608 32.306 31.700 -0.003 0.000 1.013 374 F N 0.303 120.302 119.950 0.082 0.000 2.631 374 F HA 0.601 5.129 4.527 0.000 0.000 0.328 374 F C 0.140 176.145 175.800 0.341 0.000 1.067 374 F CA -1.297 56.789 58.000 0.143 0.000 0.969 374 F CB 0.220 39.250 39.000 0.051 0.000 1.332 374 F HN 0.163 nan 8.300 nan 0.000 0.490 375 F N 1.300 121.525 119.950 0.458 0.000 2.491 375 F HA 0.290 4.817 4.527 0.000 0.000 0.223 375 F C 1.661 177.764 175.800 0.505 0.000 1.222 375 F CA 0.716 58.938 58.000 0.369 0.000 0.954 375 F CB -0.176 38.961 39.000 0.228 0.000 1.085 375 F HN 0.656 nan 8.300 nan 0.000 0.641 376 N N -0.600 118.293 118.700 0.322 0.000 2.238 376 N HA 0.175 4.915 4.740 0.000 0.000 0.222 376 N C -0.796 174.888 175.510 0.290 0.000 1.133 376 N CA -0.013 53.180 53.050 0.237 0.000 0.854 376 N CB 0.657 39.189 38.487 0.075 0.000 1.041 376 N HN 0.341 nan 8.380 nan 0.000 0.510 377 E N 0.642 121.023 120.200 0.301 0.000 2.383 377 E HA 0.442 4.792 4.350 0.000 0.000 0.275 377 E C -1.693 174.912 176.600 0.008 0.000 0.918 377 E CA -0.892 55.532 56.400 0.039 0.000 0.764 377 E CB 2.211 31.889 29.700 -0.037 0.000 1.252 377 E HN 0.231 nan 8.360 nan 0.000 0.449 378 F N -0.908 118.922 119.950 -0.200 0.000 2.703 378 F HA 0.770 5.297 4.527 0.000 0.000 0.308 378 F C -1.653 174.047 175.800 -0.167 0.000 1.126 378 F CA -1.148 56.622 58.000 -0.383 0.000 0.959 378 F CB 0.721 39.138 39.000 -0.972 0.000 1.297 378 F HN 0.429 nan 8.300 nan 0.000 0.441 379 A N 3.069 125.950 122.820 0.102 0.000 2.337 379 A HA 0.900 5.220 4.320 0.000 0.000 0.329 379 A C -1.412 176.358 177.584 0.309 0.000 1.146 379 A CA -0.832 51.271 52.037 0.109 0.000 0.800 379 A CB 1.166 20.181 19.000 0.025 0.000 1.220 379 A HN 0.851 nan 8.150 nan 0.000 0.472 380 L N 1.082 122.466 121.223 0.268 0.000 2.341 380 L HA 0.723 5.063 4.340 0.000 0.000 0.267 380 L C 0.323 177.268 176.870 0.124 0.000 1.009 380 L CA -0.934 54.046 54.840 0.232 0.000 0.819 380 L CB 2.199 44.388 42.059 0.216 0.000 1.323 380 L HN 0.779 nan 8.230 nan 0.000 0.425 381 A N 3.279 126.160 122.820 0.102 0.000 2.276 381 A HA 0.678 4.998 4.320 0.000 0.000 0.300 381 A C -0.525 177.080 177.584 0.034 0.000 1.235 381 A CA -0.368 51.690 52.037 0.035 0.000 0.867 381 A CB 0.155 19.196 19.000 0.070 0.000 1.137 381 A HN 0.592 nan 8.150 nan 0.000 0.527 382 L N 4.192 125.429 121.223 0.023 0.000 2.360 382 L HA 0.435 4.776 4.340 0.000 0.000 0.271 382 L C -1.236 175.638 176.870 0.007 0.000 1.057 382 L CA -1.882 52.972 54.840 0.024 0.000 0.803 382 L CB 1.819 43.905 42.059 0.044 0.000 1.207 382 L HN 0.559 nan 8.230 nan 0.000 0.445 383 P HA 0.054 nan 4.420 nan 0.000 0.245 383 P C -0.307 176.992 177.300 -0.002 0.000 1.212 383 P CA 0.682 63.781 63.100 -0.002 0.000 0.774 383 P CB 0.498 32.193 31.700 -0.008 0.000 0.999 384 K N -0.042 120.359 120.400 0.001 0.000 2.482 384 K HA 0.264 4.584 4.320 0.000 0.000 0.257 384 K C -1.031 175.569 176.600 0.001 0.000 0.969 384 K CA -0.877 55.410 56.287 0.001 0.000 0.842 384 K CB 1.483 33.985 32.500 0.002 0.000 1.359 384 K HN -0.274 nan 8.250 nan 0.000 0.441 385 D N 2.458 122.857 120.400 -0.001 0.000 2.487 385 D HA -0.022 4.618 4.640 0.000 0.000 0.243 385 D C -1.282 175.015 176.300 -0.005 0.000 1.154 385 D CA -1.215 52.782 54.000 -0.005 0.000 0.876 385 D CB 0.941 41.740 40.800 -0.003 0.000 1.161 385 D HN 0.111 nan 8.370 nan 0.000 0.478 386 P HA -0.218 nan 4.420 nan 0.000 0.216 386 P C 0.699 177.986 177.300 -0.023 0.000 1.153 386 P CA 1.416 64.499 63.100 -0.028 0.000 0.858 386 P CB 0.171 31.838 31.700 -0.056 0.000 0.789 387 E N 0.066 120.258 120.200 -0.013 0.000 2.110 387 E HA -0.121 4.229 4.350 0.000 0.000 0.193 387 E C 2.285 178.890 176.600 0.008 0.000 0.988 387 E CA 1.214 57.613 56.400 -0.001 0.000 0.804 387 E CB -0.527 29.176 29.700 0.005 0.000 0.745 387 E HN 0.211 nan 8.360 nan 0.000 0.458 388 A N 0.994 123.819 122.820 0.007 0.000 1.930 388 A HA -0.118 4.202 4.320 0.000 0.000 0.217 388 A C 2.491 180.084 177.584 0.015 0.000 1.175 388 A CA 1.013 53.056 52.037 0.012 0.000 0.627 388 A CB -0.496 18.509 19.000 0.008 0.000 0.815 388 A HN 0.106 nan 8.150 nan 0.000 0.443 389 V N 0.041 119.963 119.914 0.014 0.000 2.358 389 V HA -0.227 3.893 4.120 0.000 0.000 0.246 389 V C 2.625 178.738 176.094 0.030 0.000 1.047 389 V CA 2.160 64.474 62.300 0.023 0.000 1.035 389 V CB -0.804 31.038 31.823 0.032 0.000 0.658 389 V HN 0.689 nan 8.190 nan 0.000 0.452 390 R N 0.333 120.844 120.500 0.019 0.000 2.083 390 R HA -0.227 4.113 4.340 0.000 0.000 0.237 390 R C 2.509 178.841 176.300 0.054 0.000 1.137 390 R CA 2.137 58.257 56.100 0.033 0.000 0.951 390 R CB -0.327 29.983 30.300 0.017 0.000 0.851 390 R HN 0.440 nan 8.270 nan 0.000 0.434 391 R N -0.020 120.506 120.500 0.043 0.000 2.083 391 R HA -0.131 4.209 4.340 0.000 0.000 0.237 391 R C 2.135 178.461 176.300 0.042 0.000 1.137 391 R CA 1.739 57.865 56.100 0.044 0.000 0.951 391 R CB -0.379 29.942 30.300 0.035 0.000 0.851 391 R HN 0.340 nan 8.270 nan 0.000 0.434 392 A N 0.792 123.635 122.820 0.037 0.000 1.933 392 A HA -0.124 4.196 4.320 0.000 0.000 0.218 392 A C 2.002 179.617 177.584 0.053 0.000 1.175 392 A CA 0.935 52.994 52.037 0.036 0.000 0.628 392 A CB -0.450 18.564 19.000 0.025 0.000 0.814 392 A HN 0.305 nan 8.150 nan 0.000 0.444 393 L N -0.334 120.927 121.223 0.063 0.000 2.017 393 L HA -0.112 4.228 4.340 0.000 0.000 0.208 393 L C 2.944 179.894 176.870 0.133 0.000 1.073 393 L CA 1.915 56.817 54.840 0.104 0.000 0.745 393 L CB -1.240 40.888 42.059 0.114 0.000 0.894 393 L HN 0.406 nan 8.230 nan 0.000 0.432 394 A N -0.957 121.903 122.820 0.068 0.000 1.908 394 A HA -0.238 4.082 4.320 0.000 0.000 0.218 394 A C 2.157 179.743 177.584 0.003 0.000 1.181 394 A CA 1.715 53.747 52.037 -0.010 0.000 0.627 394 A CB -0.551 18.455 19.000 0.009 0.000 0.818 394 A HN 0.540 nan 8.150 nan 0.000 0.445 395 E N -0.593 119.628 120.200 0.036 0.000 2.209 395 E HA -0.164 4.186 4.350 0.000 0.000 0.196 395 E C 1.744 178.377 176.600 0.054 0.000 0.993 395 E CA 0.934 57.355 56.400 0.034 0.000 0.819 395 E CB -0.114 29.608 29.700 0.036 0.000 0.745 395 E HN 0.561 nan 8.360 nan 0.000 0.477 396 R N -0.700 119.866 120.500 0.110 0.000 2.334 396 R HA 0.127 4.467 4.340 0.000 0.000 0.216 396 R C 0.914 177.323 176.300 0.181 0.000 0.905 396 R CA 0.489 56.701 56.100 0.186 0.000 1.064 396 R CB 0.818 31.276 30.300 0.264 0.000 1.046 396 R HN 0.189 nan 8.270 nan 0.000 0.508 397 G N 0.798 109.616 108.800 0.029 0.000 2.141 397 G HA2 -0.261 3.699 3.960 0.000 0.000 0.242 397 G HA3 -0.261 3.699 3.960 0.000 0.000 0.242 397 G C -0.207 174.463 174.900 -0.384 0.000 0.982 397 G CA -0.354 44.629 45.100 -0.195 0.000 0.662 397 G HN 0.197 nan 8.290 nan 0.000 0.527 398 F N 0.742 120.641 119.950 -0.086 0.000 2.508 398 F HA 0.621 5.148 4.527 0.000 0.000 0.325 398 F C 0.443 176.196 175.800 -0.077 0.000 1.090 398 F CA -1.087 56.905 58.000 -0.013 0.000 0.945 398 F CB 1.511 40.563 39.000 0.087 0.000 1.156 398 F HN 0.003 nan 8.300 nan 0.000 0.463 399 H N 1.784 121.042 119.070 0.313 0.000 2.623 399 H HA 0.650 5.206 4.556 0.000 0.000 0.299 399 H C 0.157 175.642 175.328 0.261 0.000 1.052 399 H CA -0.506 55.669 56.048 0.211 0.000 1.231 399 H CB 1.014 30.853 29.762 0.128 0.000 1.389 399 H HN 0.830 nan 8.280 nan 0.000 0.469 400 G N 0.346 109.318 108.800 0.286 0.000 2.559 400 G HA2 0.478 4.438 3.960 0.000 0.000 0.291 400 G HA3 0.478 4.438 3.960 0.000 0.000 0.291 400 G C -0.982 173.871 174.900 -0.079 0.000 1.424 400 G CA -0.162 45.041 45.100 0.172 0.000 0.786 400 G HN 0.635 nan 8.290 nan 0.000 0.485 401 A N -0.452 122.033 122.820 -0.558 0.000 2.482 401 A HA 0.079 4.399 4.320 0.000 0.000 0.283 401 A C 0.356 177.681 177.584 -0.431 0.000 1.411 401 A CA 0.733 52.322 52.037 -0.747 0.000 0.725 401 A CB -2.146 16.710 19.000 -0.240 0.000 1.140 401 A HN 1.748 nan 8.150 nan 0.000 0.375 402 T N 4.689 118.949 114.554 -0.489 0.000 2.743 402 T HA 0.460 4.810 4.350 0.000 0.000 0.290 402 T C -1.817 172.742 174.700 -0.236 0.000 0.908 402 T CA -0.104 61.832 62.100 -0.273 0.000 1.092 402 T CB 0.499 69.212 68.868 -0.259 0.000 0.882 402 T HN 0.604 nan 8.240 nan 0.000 0.531 403 P HA 0.064 nan 4.420 nan 0.000 0.263 403 P C -0.489 176.784 177.300 -0.046 0.000 1.195 403 P CA -0.128 62.919 63.100 -0.088 0.000 0.762 403 P CB 0.485 32.160 31.700 -0.041 0.000 0.799 404 V N 7.000 126.882 119.914 -0.053 0.000 2.407 404 V HA 0.225 4.345 4.120 0.000 0.000 0.278 404 V C -1.523 174.626 176.094 0.091 0.000 1.037 404 V CA -1.849 60.469 62.300 0.030 0.000 0.900 404 V CB 0.893 32.668 31.823 -0.080 0.000 0.983 404 V HN 0.576 nan 8.190 nan 0.000 0.459 405 P HA 0.112 nan 4.420 nan 0.000 0.266 405 P C 0.411 177.792 177.300 0.135 0.000 1.195 405 P CA -0.144 63.033 63.100 0.129 0.000 0.768 405 P CB 0.832 32.600 31.700 0.114 0.000 0.838 406 R N 1.598 122.127 120.500 0.047 0.000 2.211 406 R HA -0.192 4.148 4.340 0.000 0.000 0.240 406 R C 2.172 178.469 176.300 -0.004 0.000 1.144 406 R CA 1.830 57.940 56.100 0.016 0.000 0.992 406 R CB -0.474 29.823 30.300 -0.004 0.000 0.869 406 R HN 0.661 nan 8.270 nan 0.000 0.462 407 E N -0.704 119.465 120.200 -0.052 0.000 2.267 407 E HA -0.242 4.109 4.350 0.000 0.000 0.197 407 E C 0.759 177.223 176.600 -0.226 0.000 0.998 407 E CA 1.257 57.555 56.400 -0.171 0.000 0.830 407 E CB -0.219 29.306 29.700 -0.291 0.000 0.751 407 E HN 0.485 nan 8.360 nan 0.000 0.491 408 Y N 0.734 121.034 120.300 0.001 0.000 2.510 408 Y HA 0.333 4.883 4.550 0.000 0.000 0.273 408 Y C 1.200 177.077 175.900 -0.038 0.000 1.119 408 Y CA 0.623 58.741 58.100 0.030 0.000 1.286 408 Y CB 1.306 39.795 38.460 0.048 0.000 1.061 408 Y HN 0.240 nan 8.280 nan 0.000 0.542 409 G N -0.433 108.385 108.800 0.029 0.000 2.361 409 G HA2 0.061 4.021 3.960 0.000 0.000 0.305 409 G HA3 0.061 4.021 3.960 0.000 0.000 0.305 409 G C -1.668 173.174 174.900 -0.097 0.000 1.367 409 G CA -1.167 43.892 45.100 -0.068 0.000 0.951 409 G HN -0.216 nan 8.290 nan 0.000 0.615 410 E N 1.005 121.155 120.200 -0.083 0.000 2.313 410 E HA 0.317 4.667 4.350 0.000 0.000 0.272 410 E C 0.515 177.062 176.600 -0.088 0.000 1.038 410 E CA -0.552 55.811 56.400 -0.062 0.000 0.863 410 E CB 0.693 30.377 29.700 -0.027 0.000 1.060 410 E HN 0.551 nan 8.360 nan 0.000 0.402 411 N N 1.107 119.770 118.700 -0.062 0.000 2.716 411 N HA -0.223 4.517 4.740 0.000 0.000 0.250 411 N C -0.647 174.811 175.510 -0.087 0.000 1.033 411 N CA 0.674 53.691 53.050 -0.056 0.000 0.727 411 N CB -1.144 37.324 38.487 -0.032 0.000 0.950 411 N HN 0.393 nan 8.380 nan 0.000 0.541 412 L N 0.004 121.146 121.223 -0.135 0.000 2.343 412 L HA 0.717 5.057 4.340 0.000 0.000 0.275 412 L C 0.657 177.444 176.870 -0.138 0.000 1.056 412 L CA -0.539 54.190 54.840 -0.185 0.000 0.804 412 L CB 1.639 43.495 42.059 -0.338 0.000 1.203 412 L HN 0.188 nan 8.230 nan 0.000 0.440 413 A N 3.632 126.375 122.820 -0.128 0.000 2.488 413 A HA 0.671 4.991 4.320 0.000 0.000 0.298 413 A C -1.046 176.347 177.584 -0.319 0.000 1.044 413 A CA -0.527 51.373 52.037 -0.228 0.000 0.693 413 A CB 1.276 20.140 19.000 -0.227 0.000 1.272 413 A HN 0.599 nan 8.150 nan 0.000 0.402 414 L N 1.413 122.346 121.223 -0.485 0.000 2.375 414 L HA 0.620 4.960 4.340 0.000 0.000 0.271 414 L C -1.005 175.381 176.870 -0.807 0.000 1.107 414 L CA -0.158 54.358 54.840 -0.540 0.000 0.806 414 L CB 0.948 42.683 42.059 -0.541 0.000 1.146 414 L HN 0.697 nan 8.230 nan 0.000 0.447 415 F N 1.042 120.596 119.950 -0.660 0.000 2.565 415 F HA 0.732 5.259 4.527 0.000 0.000 0.313 415 F C 0.112 175.527 175.800 -0.641 0.000 1.091 415 F CA -0.498 57.121 58.000 -0.634 0.000 0.915 415 F CB 2.054 40.556 39.000 -0.829 0.000 1.208 415 F HN 0.432 nan 8.300 nan 0.000 0.453 416 A N 1.469 124.245 122.820 -0.074 0.000 2.527 416 A HA 1.012 5.332 4.320 0.000 0.000 0.293 416 A C -1.644 176.059 177.584 0.198 0.000 1.117 416 A CA -0.529 51.516 52.037 0.013 0.000 0.723 416 A CB 1.685 20.678 19.000 -0.012 0.000 1.313 416 A HN 1.213 nan 8.150 nan 0.000 0.411 417 A N -0.152 122.797 122.820 0.215 0.000 2.572 417 A HA 0.940 5.260 4.320 0.000 0.000 0.295 417 A C -0.189 177.561 177.584 0.276 0.000 1.072 417 A CA 0.155 52.377 52.037 0.309 0.000 0.691 417 A CB 1.299 20.488 19.000 0.315 0.000 1.291 417 A HN 2.193 nan 8.150 nan 0.000 0.404 418 T N -2.033 112.740 114.554 0.366 0.000 2.742 418 T HA 0.535 4.885 4.350 0.000 0.000 0.282 418 T C 0.733 175.500 174.700 0.112 0.000 1.025 418 T CA 0.251 62.403 62.100 0.087 0.000 1.020 418 T CB 1.228 69.925 68.868 -0.286 0.000 1.317 418 T HN 0.804 nan 8.240 nan 0.000 0.538 419 E N 0.818 121.096 120.200 0.130 0.000 2.401 419 E HA -0.100 4.250 4.350 0.000 0.000 0.199 419 E C 1.481 178.095 176.600 0.023 0.000 1.023 419 E CA 1.068 57.527 56.400 0.099 0.000 0.859 419 E CB -0.655 29.125 29.700 0.134 0.000 0.780 419 E HN 0.674 nan 8.360 nan 0.000 0.523 420 L N -1.417 119.755 121.223 -0.085 0.000 2.592 420 L HA 0.382 4.722 4.340 0.000 0.000 0.227 420 L C 0.267 177.014 176.870 -0.205 0.000 1.127 420 L CA -0.263 54.483 54.840 -0.157 0.000 0.884 420 L CB -1.061 40.877 42.059 -0.201 0.000 1.065 420 L HN -0.118 nan 8.230 nan 0.000 0.457 421 H N 0.599 119.658 119.070 -0.017 0.000 2.502 421 H HA 0.566 5.122 4.556 0.000 0.000 0.327 421 H C -0.300 175.075 175.328 0.078 0.000 1.099 421 H CA -0.363 55.700 56.048 0.026 0.000 1.323 421 H CB 1.096 30.909 29.762 0.086 0.000 1.450 421 H HN 0.298 nan 8.280 nan 0.000 0.502 422 E N 1.625 121.968 120.200 0.239 0.000 2.281 422 E HA 0.067 4.417 4.350 0.000 0.000 0.262 422 E C 0.429 177.131 176.600 0.170 0.000 0.933 422 E CA -0.706 55.791 56.400 0.162 0.000 0.809 422 E CB 1.854 31.622 29.700 0.113 0.000 1.242 422 E HN 0.603 nan 8.360 nan 0.000 0.418 423 E N 1.380 121.652 120.200 0.119 0.000 2.086 423 E HA -0.295 4.055 4.350 0.000 0.000 0.200 423 E C 1.737 178.396 176.600 0.099 0.000 1.012 423 E CA 2.250 58.707 56.400 0.095 0.000 0.812 423 E CB -0.030 29.709 29.700 0.064 0.000 0.743 423 E HN 0.627 nan 8.360 nan 0.000 0.453 424 E N 0.096 120.358 120.200 0.103 0.000 2.160 424 E HA -0.248 4.102 4.350 0.000 0.000 0.195 424 E C 1.181 177.874 176.600 0.156 0.000 0.991 424 E CA 1.509 57.973 56.400 0.106 0.000 0.810 424 E CB -0.207 29.551 29.700 0.098 0.000 0.742 424 E HN 0.278 nan 8.360 nan 0.000 0.466 425 D N 1.429 121.961 120.400 0.220 0.000 2.123 425 D HA -0.083 4.557 4.640 0.000 0.000 0.200 425 D C 2.309 178.790 176.300 0.301 0.000 0.976 425 D CA 0.942 55.154 54.000 0.353 0.000 0.831 425 D CB -0.165 40.931 40.800 0.493 0.000 0.974 425 D HN 0.297 nan 8.370 nan 0.000 0.469 426 L N 0.497 121.821 121.223 0.168 0.000 2.046 426 L HA -0.142 4.198 4.340 0.000 0.000 0.208 426 L C 2.474 179.277 176.870 -0.113 0.000 1.077 426 L CA 0.616 55.416 54.840 -0.067 0.000 0.747 426 L CB -0.475 41.570 42.059 -0.024 0.000 0.896 426 L HN 0.067 nan 8.230 nan 0.000 0.432 427 L N 0.287 121.494 121.223 -0.026 0.000 2.046 427 L HA -0.169 4.171 4.340 0.000 0.000 0.208 427 L C 2.947 179.781 176.870 -0.060 0.000 1.077 427 L CA 2.087 56.899 54.840 -0.046 0.000 0.747 427 L CB -1.689 40.368 42.059 -0.003 0.000 0.896 427 L HN 0.245 nan 8.230 nan 0.000 0.432 428 A N -0.186 122.650 122.820 0.026 0.000 1.902 428 A HA -0.225 4.095 4.320 0.000 0.000 0.217 428 A C 2.313 179.748 177.584 -0.249 0.000 1.181 428 A CA 1.714 53.790 52.037 0.066 0.000 0.623 428 A CB -0.699 18.517 19.000 0.359 0.000 0.818 428 A HN 0.360 nan 8.150 nan 0.000 0.443 429 L N -0.217 120.852 121.223 -0.256 0.000 2.056 429 L HA -0.093 4.247 4.340 0.000 0.000 0.207 429 L C 2.443 179.014 176.870 -0.497 0.000 1.078 429 L CA 2.418 56.926 54.840 -0.554 0.000 0.749 429 L CB -0.553 41.143 42.059 -0.605 0.000 0.901 429 L HN 0.456 nan 8.230 nan 0.000 0.433 430 R N -0.772 119.511 120.500 -0.361 0.000 2.081 430 R HA -0.163 4.178 4.340 0.000 0.000 0.235 430 R C 2.117 178.267 176.300 -0.250 0.000 1.131 430 R CA 1.471 57.396 56.100 -0.292 0.000 0.960 430 R CB -0.145 30.018 30.300 -0.228 0.000 0.856 430 R HN 0.393 nan 8.270 nan 0.000 0.436 431 E N 0.353 120.414 120.200 -0.232 0.000 2.077 431 E HA -0.151 4.199 4.350 0.000 0.000 0.193 431 E C 1.873 178.341 176.600 -0.220 0.000 0.989 431 E CA 1.296 57.590 56.400 -0.178 0.000 0.800 431 E CB -0.281 29.347 29.700 -0.119 0.000 0.746 431 E HN 0.468 nan 8.360 nan 0.000 0.452 432 A N 1.165 123.753 122.820 -0.387 0.000 1.902 432 A HA -0.170 4.150 4.320 0.000 0.000 0.217 432 A C 2.244 179.676 177.584 -0.254 0.000 1.181 432 A CA 1.343 53.131 52.037 -0.415 0.000 0.623 432 A CB -0.589 17.823 19.000 -0.979 0.000 0.818 432 A HN 0.253 nan 8.150 nan 0.000 0.443 433 L N -0.123 120.946 121.223 -0.258 0.000 2.093 433 L HA -0.108 4.232 4.340 0.000 0.000 0.208 433 L C 2.179 178.978 176.870 -0.118 0.000 1.085 433 L CA 2.052 56.799 54.840 -0.155 0.000 0.755 433 L CB -0.449 41.508 42.059 -0.169 0.000 0.904 433 L HN 0.336 nan 8.230 nan 0.000 0.435 434 K N -0.726 119.596 120.400 -0.131 0.000 2.097 434 K HA -0.127 4.193 4.320 0.000 0.000 0.205 434 K C 1.921 178.479 176.600 -0.071 0.000 1.050 434 K CA 1.219 57.449 56.287 -0.095 0.000 0.938 434 K CB -0.189 32.254 32.500 -0.095 0.000 0.718 434 K HN 0.335 nan 8.250 nan 0.000 0.442 435 E N 0.853 121.008 120.200 -0.075 0.000 2.077 435 E HA -0.136 4.214 4.350 0.000 0.000 0.193 435 E C 2.219 178.798 176.600 -0.035 0.000 0.989 435 E CA 0.930 57.301 56.400 -0.048 0.000 0.800 435 E CB -0.269 29.405 29.700 -0.044 0.000 0.746 435 E HN 0.054 nan 8.360 nan 0.000 0.452 436 V N 1.115 121.004 119.914 -0.041 0.000 2.427 436 V HA -0.175 3.945 4.120 0.000 0.000 0.248 436 V C 1.384 177.467 176.094 -0.019 0.000 1.051 436 V CA 0.887 63.173 62.300 -0.022 0.000 1.048 436 V CB -0.302 31.509 31.823 -0.019 0.000 0.666 436 V HN 0.058 nan 8.190 nan 0.000 0.456 437 L N 0.000 121.206 121.223 -0.029 0.000 2.949 437 L HA 0.000 4.340 4.340 0.000 0.000 0.249 437 L CA 0.000 54.825 54.840 -0.024 0.000 0.813 437 L CB 0.000 42.039 42.059 -0.033 0.000 0.961 437 L HN 0.000 nan 8.230 nan 0.000 0.502