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 1ixq_1_B DATA FIRST_RESID 2 DATA SEQUENCE AELLLGVNID HIATLRNARG TAYPDPVQAA FIAEQAGADG ITVHLREDRR DATA SEQUENCE HITDRDVRIL RQTLDTRMNL EMAVTEEMLA IAVETKPHFC CLVPEXXXXX DATA SEQUENCE XXEGGLDVAG QRDKMRDACK RLADAGIQVS LFIDADEEQI KAAAEVGAPF DATA SEQUENCE IEIHTGCYAD AKTDAEQAQE LARIAKAATF AASLGLKVNA GHGLTYHNVK DATA SEQUENCE AIAAIPEMHE LNIGHAIIGR AVMTGLKDAV AEMKRLMLEA RG VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.579 177.584 -0.009 0.000 1.274 2 A CA 0.000 52.038 52.037 0.003 0.000 0.836 2 A CB 0.000 19.003 19.000 0.004 0.000 0.831 3 E N 1.634 121.825 120.200 -0.015 0.000 2.026 3 E HA 0.608 4.958 4.350 -0.001 0.000 0.253 3 E C -0.254 176.306 176.600 -0.066 0.000 1.056 3 E CA -0.428 55.954 56.400 -0.030 0.000 0.927 3 E CB 0.341 30.029 29.700 -0.019 0.000 1.172 3 E HN 0.434 nan 8.360 nan 0.000 0.445 4 L N 3.320 124.503 121.223 -0.066 0.000 2.615 4 L HA -0.032 4.307 4.340 -0.001 0.000 0.284 4 L C -0.245 176.558 176.870 -0.111 0.000 1.237 4 L CA 0.479 55.263 54.840 -0.093 0.000 0.905 4 L CB 0.297 42.321 42.059 -0.059 0.000 1.149 4 L HN 0.604 nan 8.230 nan 0.000 0.499 5 L N 5.377 126.501 121.223 -0.166 0.000 2.334 5 L HA 0.473 4.812 4.340 -0.001 0.000 0.275 5 L C -0.217 176.592 176.870 -0.102 0.000 1.036 5 L CA -0.576 54.179 54.840 -0.141 0.000 0.807 5 L CB 1.798 43.736 42.059 -0.202 0.000 1.231 5 L HN 0.501 nan 8.230 nan 0.000 0.438 6 L N 1.570 122.748 121.223 -0.075 0.000 2.313 6 L HA 0.655 4.995 4.340 -0.001 0.000 0.283 6 L C -0.244 176.591 176.870 -0.059 0.000 1.013 6 L CA -0.236 54.566 54.840 -0.063 0.000 0.816 6 L CB 1.605 43.634 42.059 -0.050 0.000 1.236 6 L HN 0.702 nan 8.230 nan 0.000 0.419 7 G N 4.569 113.332 108.800 -0.062 0.000 2.422 7 G HA2 0.522 4.481 3.960 -0.001 0.000 0.317 7 G HA3 0.522 4.481 3.960 -0.001 0.000 0.317 7 G C -1.048 173.819 174.900 -0.054 0.000 1.210 7 G CA -0.288 44.776 45.100 -0.059 0.000 0.930 7 G HN 0.394 nan 8.290 nan 0.000 0.468 8 V N 3.433 123.318 119.914 -0.048 0.000 2.407 8 V HA 0.254 4.373 4.120 -0.001 0.000 0.278 8 V C 0.010 176.071 176.094 -0.055 0.000 1.037 8 V CA -1.227 61.044 62.300 -0.048 0.000 0.900 8 V CB 1.427 33.228 31.823 -0.035 0.000 0.983 8 V HN 0.734 nan 8.190 nan 0.000 0.459 9 N N 5.170 123.829 118.700 -0.069 0.000 2.406 9 N HA 0.229 4.968 4.740 -0.001 0.000 0.251 9 N C 0.490 175.935 175.510 -0.108 0.000 1.069 9 N CA -0.434 52.562 53.050 -0.091 0.000 0.947 9 N CB 1.220 39.641 38.487 -0.111 0.000 1.111 9 N HN 0.773 nan 8.380 nan 0.000 0.497 10 I N -0.190 120.322 120.570 -0.098 0.000 3.855 10 I HA 0.207 4.377 4.170 -0.001 0.000 0.327 10 I C 0.254 176.287 176.117 -0.139 0.000 1.359 10 I CA -0.300 60.947 61.300 -0.088 0.000 1.142 10 I CB 0.108 38.077 38.000 -0.051 0.000 1.041 10 I HN 0.107 nan 8.210 nan 0.000 0.403 11 D N 1.894 122.138 120.400 -0.260 0.000 2.149 11 D HA -0.226 4.413 4.640 -0.001 0.000 0.194 11 D C 1.814 177.889 176.300 -0.376 0.000 1.001 11 D CA 1.709 55.420 54.000 -0.482 0.000 0.849 11 D CB -0.296 40.021 40.800 -0.805 0.000 0.939 11 D HN 0.511 nan 8.370 nan 0.000 0.449 12 H N -0.219 118.740 119.070 -0.185 0.000 2.546 12 H HA 0.022 4.578 4.556 -0.001 0.000 0.277 12 H C 2.036 177.345 175.328 -0.031 0.000 1.004 12 H CA 0.068 56.075 56.048 -0.068 0.000 1.231 12 H CB 0.041 29.831 29.762 0.046 0.000 1.382 12 H HN 0.181 nan 8.280 nan 0.000 0.580 13 I N 0.341 120.949 120.570 0.063 0.000 2.252 13 I HA -0.152 4.017 4.170 -0.001 0.000 0.245 13 I C 2.467 178.611 176.117 0.045 0.000 1.102 13 I CA 1.017 62.348 61.300 0.051 0.000 1.385 13 I CB -1.077 36.940 38.000 0.028 0.000 1.064 13 I HN 0.137 nan 8.210 nan 0.000 0.414 14 A N 0.560 123.389 122.820 0.015 0.000 1.930 14 A HA -0.204 4.115 4.320 -0.001 0.000 0.217 14 A C 2.453 180.076 177.584 0.065 0.000 1.175 14 A CA 2.221 54.273 52.037 0.026 0.000 0.627 14 A CB -1.015 17.989 19.000 0.007 0.000 0.815 14 A HN 0.509 nan 8.150 nan 0.000 0.443 15 T N -1.583 113.031 114.554 0.100 0.000 2.788 15 T HA -0.152 4.197 4.350 -0.001 0.000 0.268 15 T C 1.764 176.508 174.700 0.073 0.000 1.044 15 T CA 1.660 63.839 62.100 0.131 0.000 1.139 15 T CB -0.421 68.560 68.868 0.189 0.000 0.867 15 T HN 0.167 nan 8.240 nan 0.000 0.454 16 L N 1.330 122.592 121.223 0.065 0.000 2.083 16 L HA 0.180 4.520 4.340 -0.001 0.000 0.209 16 L C 2.788 179.683 176.870 0.042 0.000 1.083 16 L CA 1.791 56.663 54.840 0.053 0.000 0.752 16 L CB -0.945 41.152 42.059 0.063 0.000 0.899 16 L HN 0.356 nan 8.230 nan 0.000 0.433 17 R N -0.497 120.022 120.500 0.032 0.000 2.057 17 R HA -0.122 4.217 4.340 -0.001 0.000 0.229 17 R C 1.297 177.575 176.300 -0.036 0.000 1.136 17 R CA 1.591 57.681 56.100 -0.016 0.000 0.952 17 R CB -0.263 30.027 30.300 -0.016 0.000 0.848 17 R HN 0.343 nan 8.270 nan 0.000 0.430 18 N N 0.305 119.003 118.700 -0.003 0.000 2.551 18 N HA -0.013 4.726 4.740 -0.001 0.000 0.199 18 N C 0.186 175.696 175.510 -0.001 0.000 1.277 18 N CA 0.710 53.758 53.050 -0.003 0.000 0.870 18 N CB 0.676 39.177 38.487 0.024 0.000 1.028 18 N HN 0.322 nan 8.380 nan 0.000 0.452 19 A N -0.940 121.879 122.820 -0.002 0.000 2.390 19 A HA 0.316 4.635 4.320 -0.001 0.000 0.232 19 A C 1.956 179.535 177.584 -0.009 0.000 1.233 19 A CA 0.134 52.172 52.037 0.002 0.000 0.907 19 A CB 0.378 19.387 19.000 0.014 0.000 0.967 19 A HN 0.088 nan 8.150 nan 0.000 0.512 20 R N -1.958 118.522 120.500 -0.033 0.000 2.646 20 R HA 0.263 4.602 4.340 -0.001 0.000 0.226 20 R C 0.926 177.178 176.300 -0.079 0.000 0.928 20 R CA 1.079 57.149 56.100 -0.050 0.000 1.010 20 R CB 0.395 30.658 30.300 -0.062 0.000 1.516 20 R HN 0.781 nan 8.270 nan 0.000 0.621 21 G N 1.454 110.198 108.800 -0.094 0.000 2.225 21 G HA2 -0.269 3.691 3.960 -0.001 0.000 0.264 21 G HA3 -0.269 3.691 3.960 -0.001 0.000 0.264 21 G C -0.101 174.712 174.900 -0.144 0.000 1.060 21 G CA 0.638 45.681 45.100 -0.094 0.000 0.833 21 G HN 0.505 nan 8.290 nan 0.000 0.498 22 T N -3.582 110.817 114.554 -0.259 0.000 2.910 22 T HA 0.804 5.153 4.350 -0.001 0.000 0.287 22 T C 1.438 175.931 174.700 -0.345 0.000 1.050 22 T CA 0.139 62.007 62.100 -0.386 0.000 1.011 22 T CB 1.858 70.197 68.868 -0.882 0.000 1.195 22 T HN 1.246 nan 8.240 nan 0.000 0.540 23 A N -0.179 122.483 122.820 -0.263 0.000 2.119 23 A HA 0.238 4.558 4.320 -0.001 0.000 0.217 23 A C 0.487 178.027 177.584 -0.074 0.000 1.153 23 A CA 0.480 52.453 52.037 -0.107 0.000 0.692 23 A CB -1.006 17.994 19.000 -0.000 0.000 0.799 23 A HN 0.824 nan 8.150 nan 0.000 0.458 24 Y N -1.298 119.014 120.300 0.019 0.000 2.420 24 Y HA 0.736 5.286 4.550 -0.001 0.000 0.334 24 Y C -3.023 172.890 175.900 0.020 0.000 1.094 24 Y CA -4.685 53.427 58.100 0.020 0.000 1.126 24 Y CB 0.540 39.010 38.460 0.017 0.000 1.217 24 Y HN -0.104 nan 8.280 nan 0.000 0.462 25 P HA 0.084 nan 4.420 nan 0.000 0.278 25 P C -1.006 176.360 177.300 0.109 0.000 1.238 25 P CA -0.133 63.082 63.100 0.191 0.000 0.794 25 P CB 1.539 33.323 31.700 0.140 0.000 0.955 26 D N 2.780 123.244 120.400 0.107 0.000 2.274 26 D HA 0.188 4.827 4.640 -0.001 0.000 0.239 26 D C -1.631 174.708 176.300 0.065 0.000 1.104 26 D CA -2.246 51.801 54.000 0.077 0.000 0.840 26 D CB 1.290 42.143 40.800 0.088 0.000 1.100 26 D HN 0.059 nan 8.370 nan 0.000 0.477 27 P HA -0.142 nan 4.420 nan 0.000 0.218 27 P C 1.527 178.843 177.300 0.027 0.000 1.146 27 P CA 0.555 63.669 63.100 0.023 0.000 0.813 27 P CB 0.427 32.128 31.700 0.002 0.000 0.778 28 V N -0.166 119.776 119.914 0.047 0.000 2.490 28 V HA -0.271 3.848 4.120 -0.001 0.000 0.250 28 V C 2.638 178.831 176.094 0.165 0.000 1.061 28 V CA 1.963 64.301 62.300 0.064 0.000 1.064 28 V CB -1.226 30.660 31.823 0.104 0.000 0.670 28 V HN 0.228 nan 8.190 nan 0.000 0.461 29 Q N 0.152 120.056 119.800 0.174 0.000 2.049 29 Q HA -0.136 4.204 4.340 -0.001 0.000 0.198 29 Q C 2.304 178.406 176.000 0.170 0.000 0.971 29 Q CA 1.611 57.544 55.803 0.216 0.000 0.833 29 Q CB -0.296 28.522 28.738 0.132 0.000 0.896 29 Q HN 0.577 nan 8.270 nan 0.000 0.434 30 A N 1.045 123.923 122.820 0.097 0.000 1.917 30 A HA -0.205 4.115 4.320 -0.001 0.000 0.219 30 A C 2.289 179.900 177.584 0.044 0.000 1.182 30 A CA 1.935 54.009 52.037 0.062 0.000 0.633 30 A CB -1.065 17.957 19.000 0.035 0.000 0.819 30 A HN 0.587 nan 8.150 nan 0.000 0.448 31 A N -1.293 121.529 122.820 0.004 0.000 1.873 31 A HA 0.002 4.321 4.320 -0.001 0.000 0.215 31 A C 2.011 179.557 177.584 -0.064 0.000 1.186 31 A CA 1.403 53.396 52.037 -0.074 0.000 0.616 31 A CB -0.783 18.113 19.000 -0.174 0.000 0.823 31 A HN 0.490 nan 8.150 nan 0.000 0.442 32 F N 0.088 120.041 119.950 0.005 0.000 2.095 32 F HA -0.211 4.315 4.527 -0.001 0.000 0.298 32 F C 2.203 178.005 175.800 0.003 0.000 1.104 32 F CA 1.640 59.642 58.000 0.004 0.000 1.232 32 F CB -0.300 38.703 39.000 0.005 0.000 0.987 32 F HN 0.147 nan 8.300 nan 0.000 0.475 33 I N -0.366 120.321 120.570 0.195 0.000 2.142 33 I HA -0.330 3.839 4.170 -0.001 0.000 0.240 33 I C 2.680 178.840 176.117 0.070 0.000 1.078 33 I CA 1.258 62.624 61.300 0.110 0.000 1.343 33 I CB -0.841 37.208 38.000 0.081 0.000 1.046 33 I HN 0.102 nan 8.210 nan 0.000 0.405 34 A N 0.445 123.294 122.820 0.048 0.000 1.883 34 A HA -0.243 4.076 4.320 -0.001 0.000 0.217 34 A C 2.194 179.788 177.584 0.017 0.000 1.186 34 A CA 1.803 53.854 52.037 0.023 0.000 0.624 34 A CB -0.710 18.293 19.000 0.004 0.000 0.822 34 A HN 0.474 nan 8.150 nan 0.000 0.444 35 E N -0.632 119.575 120.200 0.012 0.000 2.209 35 E HA -0.220 4.129 4.350 -0.001 0.000 0.196 35 E C 1.766 178.383 176.600 0.029 0.000 0.993 35 E CA 1.291 57.694 56.400 0.006 0.000 0.819 35 E CB -0.127 29.563 29.700 -0.016 0.000 0.745 35 E HN 0.752 nan 8.360 nan 0.000 0.477 36 Q N -1.027 118.805 119.800 0.052 0.000 2.319 36 Q HA 0.189 4.528 4.340 -0.001 0.000 0.202 36 Q C 0.890 176.911 176.000 0.035 0.000 0.896 36 Q CA 0.103 55.936 55.803 0.051 0.000 0.942 36 Q CB 0.998 29.779 28.738 0.071 0.000 1.083 36 Q HN 0.101 nan 8.270 nan 0.000 0.510 37 A N -0.586 122.252 122.820 0.030 0.000 2.503 37 A HA 0.542 4.862 4.320 -0.001 0.000 0.263 37 A C 1.080 178.675 177.584 0.018 0.000 1.258 37 A CA 0.397 52.448 52.037 0.025 0.000 0.936 37 A CB 0.317 19.334 19.000 0.029 0.000 1.070 37 A HN 0.303 nan 8.150 nan 0.000 0.522 38 G N -1.800 107.007 108.800 0.012 0.000 2.205 38 G HA2 0.212 4.171 3.960 -0.001 0.000 0.180 38 G HA3 0.212 4.171 3.960 -0.001 0.000 0.180 38 G C 0.383 175.279 174.900 -0.006 0.000 1.004 38 G CA -0.041 45.061 45.100 0.003 0.000 0.670 38 G HN 1.478 nan 8.290 nan 0.000 0.496 39 A N 0.258 123.074 122.820 -0.006 0.000 2.354 39 A HA 0.627 4.946 4.320 -0.001 0.000 0.269 39 A C 0.834 178.405 177.584 -0.022 0.000 1.109 39 A CA 0.504 52.530 52.037 -0.018 0.000 0.800 39 A CB 0.455 19.444 19.000 -0.019 0.000 1.045 39 A HN 0.143 nan 8.150 nan 0.000 0.489 40 D N 0.799 121.181 120.400 -0.030 0.000 2.417 40 D HA 0.258 4.898 4.640 -0.001 0.000 0.207 40 D C 0.663 176.949 176.300 -0.024 0.000 1.075 40 D CA 1.205 55.188 54.000 -0.028 0.000 0.851 40 D CB 0.866 41.644 40.800 -0.036 0.000 0.976 40 D HN 0.723 nan 8.370 nan 0.000 0.505 41 G N 0.332 109.117 108.800 -0.026 0.000 2.646 41 G HA2 0.475 4.434 3.960 -0.001 0.000 0.291 41 G HA3 0.475 4.434 3.960 -0.001 0.000 0.291 41 G C -1.664 173.220 174.900 -0.027 0.000 1.445 41 G CA -0.490 44.602 45.100 -0.014 0.000 0.814 41 G HN -0.107 nan 8.290 nan 0.000 0.495 42 I N 0.964 121.520 120.570 -0.024 0.000 2.465 42 I HA 0.504 4.673 4.170 -0.001 0.000 0.291 42 I C -0.073 176.030 176.117 -0.023 0.000 1.014 42 I CA -0.501 60.778 61.300 -0.036 0.000 1.093 42 I CB 1.768 39.734 38.000 -0.056 0.000 1.267 42 I HN 0.359 nan 8.210 nan 0.000 0.431 43 T N 5.754 120.287 114.554 -0.035 0.000 2.855 43 T HA 0.713 5.062 4.350 -0.001 0.000 0.281 43 T C -0.315 174.365 174.700 -0.033 0.000 1.007 43 T CA -0.539 61.543 62.100 -0.030 0.000 1.009 43 T CB 2.106 70.945 68.868 -0.049 0.000 0.983 43 T HN 0.432 nan 8.240 nan 0.000 0.455 44 V N 0.660 120.569 119.914 -0.008 0.000 2.733 44 V HA 0.511 4.631 4.120 -0.001 0.000 0.306 44 V C -0.854 175.292 176.094 0.087 0.000 1.084 44 V CA -1.025 61.282 62.300 0.012 0.000 0.905 44 V CB 1.717 33.545 31.823 0.008 0.000 1.010 44 V HN 1.056 nan 8.190 nan 0.000 0.424 45 H N 5.389 124.454 119.070 -0.008 0.000 2.597 45 H HA 0.500 5.055 4.556 -0.001 0.000 0.303 45 H C -0.996 174.377 175.328 0.075 0.000 1.057 45 H CA -0.996 55.071 56.048 0.031 0.000 1.261 45 H CB 1.508 31.309 29.762 0.066 0.000 1.397 45 H HN 0.725 nan 8.280 nan 0.000 0.461 46 L N 7.014 128.396 121.223 0.265 0.000 2.295 46 L HA 0.306 4.646 4.340 -0.001 0.000 0.288 46 L C -0.248 176.639 176.870 0.029 0.000 1.079 46 L CA 0.213 55.113 54.840 0.099 0.000 0.830 46 L CB 0.086 42.194 42.059 0.081 0.000 1.200 46 L HN 0.807 nan 8.230 nan 0.000 0.438 47 R N 2.578 122.981 120.500 -0.162 0.000 2.532 47 R HA 0.153 4.492 4.340 -0.001 0.000 0.272 47 R C 0.925 177.168 176.300 -0.095 0.000 1.032 47 R CA -0.416 55.550 56.100 -0.223 0.000 1.089 47 R CB 1.348 31.390 30.300 -0.430 0.000 1.098 47 R HN 0.632 nan 8.270 nan 0.000 0.526 48 E N 1.029 121.190 120.200 -0.066 0.000 2.038 48 E HA -0.236 4.113 4.350 -0.001 0.000 0.195 48 E C 0.707 177.278 176.600 -0.048 0.000 1.000 48 E CA 1.999 58.377 56.400 -0.038 0.000 0.803 48 E CB 0.085 29.770 29.700 -0.024 0.000 0.750 48 E HN 0.665 nan 8.360 nan 0.000 0.448 49 D N -0.087 120.271 120.400 -0.069 0.000 2.378 49 D HA -0.154 4.485 4.640 -0.001 0.000 0.227 49 D C 0.122 176.384 176.300 -0.063 0.000 1.012 49 D CA 0.204 54.167 54.000 -0.063 0.000 0.905 49 D CB -0.205 40.552 40.800 -0.072 0.000 0.895 49 D HN 0.065 nan 8.370 nan 0.000 0.532 50 R N -0.072 120.386 120.500 -0.069 0.000 3.591 50 R HA -0.280 4.059 4.340 -0.001 0.000 0.268 50 R C 1.220 177.494 176.300 -0.043 0.000 1.102 50 R CA 1.138 57.209 56.100 -0.048 0.000 0.732 50 R CB -2.158 28.128 30.300 -0.023 0.000 1.117 50 R HN 0.597 nan 8.270 nan 0.000 0.472 51 R N 0.595 121.046 120.500 -0.081 0.000 2.070 51 R HA -0.162 4.178 4.340 -0.001 0.000 0.232 51 R C 2.072 178.378 176.300 0.010 0.000 1.138 51 R CA 2.140 58.204 56.100 -0.059 0.000 0.936 51 R CB -0.774 29.460 30.300 -0.110 0.000 0.839 51 R HN 0.772 nan 8.270 nan 0.000 0.429 52 H N -0.060 118.986 119.070 -0.040 0.000 2.591 52 H HA 0.222 4.777 4.556 -0.001 0.000 0.333 52 H C 0.503 175.817 175.328 -0.023 0.000 1.222 52 H CA -0.800 55.238 56.048 -0.017 0.000 1.819 52 H CB -0.338 29.431 29.762 0.012 0.000 1.581 52 H HN -0.059 nan 8.280 nan 0.000 0.682 53 I N 3.445 124.137 120.570 0.203 0.000 2.845 53 I HA -0.067 4.102 4.170 -0.001 0.000 0.296 53 I C 1.009 177.156 176.117 0.050 0.000 1.216 53 I CA 0.701 62.050 61.300 0.082 0.000 1.438 53 I CB 0.518 38.562 38.000 0.073 0.000 1.342 53 I HN 0.639 nan 8.210 nan 0.000 0.577 54 T N 1.229 115.800 114.554 0.028 0.000 2.927 54 T HA 0.327 4.677 4.350 -0.001 0.000 0.286 54 T C 0.846 175.554 174.700 0.013 0.000 1.040 54 T CA -0.787 61.323 62.100 0.016 0.000 1.010 54 T CB 2.001 70.875 68.868 0.010 0.000 1.177 54 T HN 0.489 nan 8.240 nan 0.000 0.546 55 D N -0.114 120.291 120.400 0.009 0.000 2.123 55 D HA -0.136 4.503 4.640 -0.001 0.000 0.196 55 D C 2.053 178.358 176.300 0.008 0.000 0.992 55 D CA 1.041 55.045 54.000 0.008 0.000 0.833 55 D CB -0.084 40.719 40.800 0.005 0.000 0.954 55 D HN 0.542 nan 8.370 nan 0.000 0.455 56 R N 0.914 121.419 120.500 0.007 0.000 2.083 56 R HA -0.158 4.181 4.340 -0.001 0.000 0.237 56 R C 1.485 177.791 176.300 0.009 0.000 1.137 56 R CA 1.554 57.659 56.100 0.008 0.000 0.951 56 R CB -0.107 30.198 30.300 0.009 0.000 0.851 56 R HN 0.083 nan 8.270 nan 0.000 0.434 57 D N 0.163 120.569 120.400 0.010 0.000 2.108 57 D HA -0.170 4.470 4.640 -0.001 0.000 0.190 57 D C 2.031 178.332 176.300 0.002 0.000 0.995 57 D CA 1.584 55.589 54.000 0.007 0.000 0.834 57 D CB -0.548 40.257 40.800 0.008 0.000 0.967 57 D HN 0.090 nan 8.370 nan 0.000 0.446 58 V N 0.997 120.915 119.914 0.005 0.000 2.324 58 V HA -0.288 3.832 4.120 -0.001 0.000 0.250 58 V C 2.610 178.703 176.094 -0.001 0.000 1.060 58 V CA 2.082 64.384 62.300 0.003 0.000 1.042 58 V CB -0.511 31.319 31.823 0.011 0.000 0.650 58 V HN 0.167 nan 8.190 nan 0.000 0.450 59 R N -0.104 120.397 120.500 0.003 0.000 2.081 59 R HA -0.125 4.214 4.340 -0.001 0.000 0.235 59 R C 2.180 178.481 176.300 0.002 0.000 1.131 59 R CA 1.943 58.044 56.100 0.003 0.000 0.960 59 R CB -0.247 30.056 30.300 0.006 0.000 0.856 59 R HN 0.516 nan 8.270 nan 0.000 0.436 60 I N 0.236 120.809 120.570 0.005 0.000 2.333 60 I HA -0.188 3.981 4.170 -0.001 0.000 0.246 60 I C 1.919 178.029 176.117 -0.012 0.000 1.106 60 I CA 0.235 61.540 61.300 0.008 0.000 1.411 60 I CB -0.228 37.786 38.000 0.023 0.000 1.082 60 I HN 0.178 nan 8.210 nan 0.000 0.420 61 L N 1.115 122.324 121.223 -0.024 0.000 2.043 61 L HA -0.226 4.114 4.340 -0.001 0.000 0.212 61 L C 2.619 179.453 176.870 -0.060 0.000 1.075 61 L CA 1.778 56.584 54.840 -0.058 0.000 0.752 61 L CB -1.115 40.916 42.059 -0.047 0.000 0.891 61 L HN 0.171 nan 8.230 nan 0.000 0.432 62 R N -0.292 120.189 120.500 -0.032 0.000 2.159 62 R HA -0.160 4.179 4.340 -0.001 0.000 0.237 62 R C 2.059 178.343 176.300 -0.027 0.000 1.131 62 R CA 1.486 57.570 56.100 -0.027 0.000 0.982 62 R CB -0.179 30.113 30.300 -0.013 0.000 0.868 62 R HN 0.551 nan 8.270 nan 0.000 0.453 63 Q N -1.862 117.925 119.800 -0.021 0.000 2.384 63 Q HA 0.072 4.412 4.340 -0.001 0.000 0.207 63 Q C 1.165 177.158 176.000 -0.011 0.000 0.904 63 Q CA 1.188 56.987 55.803 -0.007 0.000 0.933 63 Q CB 0.884 29.629 28.738 0.011 0.000 1.077 63 Q HN 0.506 nan 8.270 nan 0.000 0.522 64 T N -2.059 112.459 114.554 -0.060 0.000 3.034 64 T HA 0.212 4.561 4.350 -0.001 0.000 0.248 64 T C 0.843 175.361 174.700 -0.304 0.000 1.040 64 T CA -0.325 61.698 62.100 -0.128 0.000 1.107 64 T CB -0.039 68.724 68.868 -0.174 0.000 0.932 64 T HN -0.005 nan 8.240 nan 0.000 0.474 65 L N 2.437 123.508 121.223 -0.254 0.000 2.543 65 L HA 0.104 4.444 4.340 -0.001 0.000 0.285 65 L C 1.385 178.165 176.870 -0.149 0.000 1.236 65 L CA 0.418 55.118 54.840 -0.235 0.000 0.871 65 L CB 0.257 42.231 42.059 -0.141 0.000 1.121 65 L HN 0.236 nan 8.230 nan 0.000 0.501 66 D N -0.653 119.669 120.400 -0.129 0.000 2.423 66 D HA -0.047 4.592 4.640 -0.001 0.000 0.212 66 D C 1.367 177.641 176.300 -0.043 0.000 1.060 66 D CA 0.873 54.843 54.000 -0.051 0.000 0.872 66 D CB 0.537 41.334 40.800 -0.004 0.000 1.012 66 D HN 0.748 nan 8.370 nan 0.000 0.503 67 T N -2.142 112.376 114.554 -0.061 0.000 2.923 67 T HA 0.464 4.813 4.350 -0.001 0.000 0.180 67 T C -0.023 174.629 174.700 -0.080 0.000 0.706 67 T CA -0.315 61.748 62.100 -0.061 0.000 2.161 67 T CB 0.294 69.132 68.868 -0.050 0.000 2.518 67 T HN 0.054 nan 8.240 nan 0.000 0.399 68 R N -0.533 119.924 120.500 -0.072 0.000 2.692 68 R HA 0.633 4.973 4.340 -0.001 0.000 0.269 68 R C -1.114 175.191 176.300 0.008 0.000 1.030 68 R CA -0.765 55.297 56.100 -0.062 0.000 0.882 68 R CB 0.826 31.006 30.300 -0.200 0.000 1.250 68 R HN 0.656 nan 8.270 nan 0.000 0.465 69 M N 1.637 121.256 119.600 0.032 0.000 2.249 69 M HA 0.428 4.907 4.480 -0.001 0.000 0.351 69 M C -0.850 175.527 176.300 0.130 0.000 1.180 69 M CA -0.276 55.053 55.300 0.050 0.000 1.127 69 M CB 1.132 33.744 32.600 0.020 0.000 1.546 69 M HN 0.743 nan 8.290 nan 0.000 0.461 70 N N 5.176 123.939 118.700 0.106 0.000 2.569 70 N HA 0.302 5.042 4.740 -0.001 0.000 0.254 70 N C -1.977 173.561 175.510 0.048 0.000 1.004 70 N CA -0.419 52.706 53.050 0.125 0.000 0.904 70 N CB 0.955 39.476 38.487 0.056 0.000 1.165 70 N HN 0.812 nan 8.380 nan 0.000 0.513 71 L N 2.220 123.472 121.223 0.049 0.000 2.278 71 L HA 0.379 4.718 4.340 -0.001 0.000 0.287 71 L C -0.015 176.853 176.870 -0.003 0.000 1.072 71 L CA -0.360 54.495 54.840 0.026 0.000 0.819 71 L CB 0.562 42.638 42.059 0.028 0.000 1.176 71 L HN 0.582 nan 8.230 nan 0.000 0.435 72 E N 6.473 126.656 120.200 -0.029 0.000 2.200 72 E HA 0.513 4.862 4.350 -0.001 0.000 0.283 72 E C -0.746 175.785 176.600 -0.115 0.000 1.015 72 E CA -0.380 55.925 56.400 -0.159 0.000 0.819 72 E CB 1.038 30.559 29.700 -0.298 0.000 1.081 72 E HN 0.597 nan 8.360 nan 0.000 0.397 73 M N 1.266 120.781 119.600 -0.141 0.000 2.732 73 M HA 0.659 5.138 4.480 -0.001 0.000 0.272 73 M C -1.385 174.897 176.300 -0.030 0.000 1.203 73 M CA -1.096 54.197 55.300 -0.010 0.000 0.841 73 M CB 1.339 33.962 32.600 0.038 0.000 1.685 73 M HN 0.340 nan 8.290 nan 0.000 0.492 74 A N 1.079 123.920 122.820 0.035 0.000 2.271 74 A HA 0.695 5.014 4.320 -0.001 0.000 0.288 74 A C -0.239 177.358 177.584 0.022 0.000 1.094 74 A CA -0.719 51.333 52.037 0.025 0.000 0.828 74 A CB 0.728 19.756 19.000 0.046 0.000 1.091 74 A HN 0.704 nan 8.150 nan 0.000 0.493 75 V N 2.456 122.382 119.914 0.020 0.000 2.356 75 V HA 0.441 4.560 4.120 -0.001 0.000 0.258 75 V C 0.578 176.683 176.094 0.018 0.000 1.065 75 V CA 0.695 63.006 62.300 0.019 0.000 0.935 75 V CB -0.590 31.246 31.823 0.021 0.000 1.061 75 V HN 1.119 nan 8.190 nan 0.000 0.484 76 T N 0.192 114.756 114.554 0.017 0.000 2.816 76 T HA 0.444 4.794 4.350 -0.001 0.000 0.299 76 T C 0.531 175.238 174.700 0.012 0.000 1.230 76 T CA -0.526 61.583 62.100 0.014 0.000 1.007 76 T CB 2.165 71.042 68.868 0.015 0.000 1.289 76 T HN 0.305 nan 8.240 nan 0.000 0.508 77 E N 0.442 120.647 120.200 0.010 0.000 2.106 77 E HA -0.097 4.252 4.350 -0.001 0.000 0.192 77 E C 1.734 178.339 176.600 0.007 0.000 0.984 77 E CA 1.808 58.213 56.400 0.008 0.000 0.806 77 E CB -0.197 29.506 29.700 0.006 0.000 0.750 77 E HN 0.767 nan 8.360 nan 0.000 0.458 78 E N -0.574 119.631 120.200 0.008 0.000 2.012 78 E HA -0.212 4.137 4.350 -0.001 0.000 0.197 78 E C 1.864 178.470 176.600 0.010 0.000 1.007 78 E CA 1.659 58.064 56.400 0.008 0.000 0.816 78 E CB -0.094 29.611 29.700 0.008 0.000 0.762 78 E HN 0.229 nan 8.360 nan 0.000 0.451 79 M N 0.470 120.078 119.600 0.015 0.000 2.080 79 M HA -0.170 4.310 4.480 -0.001 0.000 0.260 79 M C 2.540 178.849 176.300 0.014 0.000 1.068 79 M CA 1.292 56.603 55.300 0.019 0.000 1.109 79 M CB -1.119 31.497 32.600 0.027 0.000 1.342 79 M HN 0.231 nan 8.290 nan 0.000 0.405 80 L N -0.321 120.909 121.223 0.012 0.000 2.083 80 L HA -0.181 4.158 4.340 -0.001 0.000 0.209 80 L C 2.714 179.587 176.870 0.005 0.000 1.083 80 L CA 1.163 56.008 54.840 0.008 0.000 0.752 80 L CB -0.812 41.252 42.059 0.008 0.000 0.899 80 L HN 0.289 nan 8.230 nan 0.000 0.433 81 A N 0.387 123.210 122.820 0.005 0.000 1.877 81 A HA -0.202 4.117 4.320 -0.001 0.000 0.216 81 A C 2.193 179.778 177.584 0.002 0.000 1.186 81 A CA 1.712 53.750 52.037 0.002 0.000 0.620 81 A CB -0.725 18.277 19.000 0.003 0.000 0.822 81 A HN 0.370 nan 8.150 nan 0.000 0.443 82 I N -0.214 120.359 120.570 0.005 0.000 2.286 82 I HA -0.282 3.888 4.170 -0.001 0.000 0.248 82 I C 2.956 179.075 176.117 0.003 0.000 1.115 82 I CA 0.980 62.283 61.300 0.005 0.000 1.392 82 I CB -0.441 37.564 38.000 0.010 0.000 1.065 82 I HN 0.369 nan 8.210 nan 0.000 0.418 83 A N 0.778 123.600 122.820 0.004 0.000 1.865 83 A HA -0.160 4.160 4.320 -0.001 0.000 0.217 83 A C 2.404 179.982 177.584 -0.009 0.000 1.191 83 A CA 1.944 53.981 52.037 -0.001 0.000 0.623 83 A CB -1.041 17.959 19.000 0.001 0.000 0.826 83 A HN 0.243 nan 8.150 nan 0.000 0.444 84 V N 0.124 120.033 119.914 -0.009 0.000 2.594 84 V HA -0.199 3.920 4.120 -0.001 0.000 0.253 84 V C 2.566 178.651 176.094 -0.014 0.000 1.069 84 V CA 2.066 64.357 62.300 -0.014 0.000 1.082 84 V CB -0.682 31.134 31.823 -0.011 0.000 0.680 84 V HN 0.544 nan 8.190 nan 0.000 0.469 85 E N 0.480 120.675 120.200 -0.009 0.000 2.028 85 E HA -0.134 4.216 4.350 -0.001 0.000 0.190 85 E C 2.382 178.976 176.600 -0.010 0.000 0.984 85 E CA 1.812 58.208 56.400 -0.008 0.000 0.800 85 E CB -0.251 29.447 29.700 -0.004 0.000 0.758 85 E HN 0.606 nan 8.360 nan 0.000 0.448 86 T N 0.549 115.098 114.554 -0.008 0.000 2.777 86 T HA -0.120 4.229 4.350 -0.001 0.000 0.266 86 T C 0.601 175.291 174.700 -0.017 0.000 1.040 86 T CA 1.209 63.304 62.100 -0.009 0.000 1.141 86 T CB -0.024 68.842 68.868 -0.004 0.000 0.868 86 T HN 0.051 nan 8.240 nan 0.000 0.444 87 K N 0.680 121.065 120.400 -0.024 0.000 3.203 87 K HA -0.092 4.228 4.320 -0.001 0.000 0.270 87 K C -2.785 173.787 176.600 -0.046 0.000 1.132 87 K CA 0.213 56.475 56.287 -0.041 0.000 0.794 87 K CB -1.208 31.267 32.500 -0.040 0.000 1.270 87 K HN 0.363 nan 8.250 nan 0.000 0.491 88 P HA -0.018 nan 4.420 nan 0.000 0.272 88 P C 0.486 177.746 177.300 -0.067 0.000 1.223 88 P CA 0.005 63.093 63.100 -0.020 0.000 0.784 88 P CB 0.914 32.617 31.700 0.005 0.000 0.923 89 H N 1.309 120.273 119.070 -0.178 0.000 2.353 89 H HA 0.034 4.590 4.556 -0.001 0.000 0.300 89 H C 0.116 175.085 175.328 -0.598 0.000 1.090 89 H CA 1.619 57.428 56.048 -0.399 0.000 1.327 89 H CB -0.097 29.370 29.762 -0.492 0.000 1.383 89 H HN 0.310 nan 8.280 nan 0.000 0.508 90 F N -1.727 118.250 119.950 0.045 0.000 2.598 90 F HA 0.470 4.996 4.527 -0.001 0.000 0.327 90 F C -0.685 175.076 175.800 -0.064 0.000 1.057 90 F CA -0.978 56.984 58.000 -0.064 0.000 0.957 90 F CB 1.710 40.638 39.000 -0.121 0.000 1.278 90 F HN -0.107 nan 8.300 nan 0.000 0.484 91 C N 1.408 120.794 119.300 0.144 0.000 2.642 91 C HA 0.519 4.978 4.460 -0.001 0.000 0.344 91 C C -1.045 173.968 174.990 0.038 0.000 1.110 91 C CA -1.135 57.919 59.018 0.059 0.000 1.298 91 C CB 0.627 28.386 27.740 0.031 0.000 1.827 91 C HN 0.913 nan 8.230 nan 0.000 0.467 92 C N 7.437 126.736 119.300 -0.003 0.000 2.291 92 C HA 0.558 5.018 4.460 -0.001 0.000 0.322 92 C C -0.163 174.805 174.990 -0.038 0.000 1.205 92 C CA -0.605 58.401 59.018 -0.019 0.000 1.495 92 C CB -1.229 26.476 27.740 -0.058 0.000 2.127 92 C HN 0.841 nan 8.230 nan 0.000 0.452 93 L N 6.594 127.823 121.223 0.010 0.000 2.462 93 L HA 0.474 4.814 4.340 -0.001 0.000 0.272 93 L C 0.068 176.946 176.870 0.013 0.000 1.166 93 L CA 0.176 55.020 54.840 0.006 0.000 0.880 93 L CB 0.431 42.511 42.059 0.034 0.000 1.142 93 L HN 0.391 nan 8.230 nan 0.000 0.473 94 V N 4.267 124.147 119.914 -0.056 0.000 3.007 94 V HA 0.450 4.569 4.120 -0.001 0.000 0.311 94 V C -2.276 173.799 176.094 -0.032 0.000 1.120 94 V CA -1.660 60.587 62.300 -0.089 0.000 0.980 94 V CB 2.645 34.237 31.823 -0.385 0.000 1.033 94 V HN 0.594 nan 8.190 nan 0.000 0.429 95 P HA 0.416 nan 4.420 nan 0.000 0.275 95 P C -0.699 176.617 177.300 0.026 0.000 1.228 95 P CA -0.104 63.019 63.100 0.039 0.000 0.786 95 P CB 0.892 32.637 31.700 0.075 0.000 0.927 105 G N 0.365 109.236 108.800 0.119 0.000 2.284 105 G HA2 -0.181 3.779 3.960 -0.001 0.000 0.201 105 G HA3 -0.181 3.779 3.960 -0.001 0.000 0.201 105 G C 0.603 175.700 174.900 0.328 0.000 0.998 105 G CA -0.005 45.250 45.100 0.258 0.000 0.651 105 G HN 0.474 nan 8.290 nan 0.000 0.489 106 G N -0.110 108.819 108.800 0.215 0.000 2.667 106 G HA2 0.492 4.452 3.960 -0.001 0.000 0.250 106 G HA3 0.492 4.452 3.960 -0.001 0.000 0.250 106 G C 0.259 175.227 174.900 0.115 0.000 1.212 106 G CA -0.191 44.959 45.100 0.083 0.000 0.874 106 G HN 0.743 nan 8.290 nan 0.000 0.561 107 L N 0.263 121.548 121.223 0.104 0.000 2.371 107 L HA 0.186 4.525 4.340 -0.001 0.000 0.272 107 L C -0.349 176.549 176.870 0.047 0.000 1.124 107 L CA -0.552 54.345 54.840 0.095 0.000 0.816 107 L CB 1.255 43.380 42.059 0.110 0.000 1.129 107 L HN 0.453 nan 8.230 nan 0.000 0.448 108 D N 3.531 123.956 120.400 0.043 0.000 2.441 108 D HA 0.138 4.778 4.640 -0.001 0.000 0.221 108 D C 0.608 176.924 176.300 0.027 0.000 1.156 108 D CA -0.300 53.717 54.000 0.028 0.000 0.896 108 D CB 1.300 42.115 40.800 0.025 0.000 1.028 108 D HN 0.262 nan 8.370 nan 0.000 0.509 109 V N 3.873 123.802 119.914 0.024 0.000 2.500 109 V HA -0.023 4.096 4.120 -0.001 0.000 0.243 109 V C 2.400 178.507 176.094 0.021 0.000 1.039 109 V CA 1.392 63.707 62.300 0.025 0.000 1.053 109 V CB -0.529 31.310 31.823 0.027 0.000 0.695 109 V HN 0.620 nan 8.190 nan 0.000 0.463 110 A N 1.102 123.934 122.820 0.019 0.000 1.865 110 A HA -0.141 4.178 4.320 -0.001 0.000 0.217 110 A C 2.209 179.802 177.584 0.015 0.000 1.191 110 A CA 2.015 54.062 52.037 0.017 0.000 0.623 110 A CB -1.309 17.700 19.000 0.014 0.000 0.826 110 A HN 0.567 nan 8.150 nan 0.000 0.444 111 G N -1.646 107.162 108.800 0.014 0.000 3.094 111 G HA2 0.230 4.189 3.960 -0.001 0.000 0.208 111 G HA3 0.230 4.189 3.960 -0.001 0.000 0.208 111 G C 0.641 175.549 174.900 0.014 0.000 1.189 111 G CA 0.640 45.748 45.100 0.013 0.000 0.856 111 G HN 0.662 nan 8.290 nan 0.000 0.510 112 Q N -1.302 118.508 119.800 0.016 0.000 1.956 112 Q HA 0.171 4.511 4.340 -0.001 0.000 0.217 112 Q C 1.440 177.450 176.000 0.016 0.000 0.835 112 Q CA -0.499 55.314 55.803 0.016 0.000 0.974 112 Q CB 0.314 29.063 28.738 0.018 0.000 1.258 112 Q HN 0.284 nan 8.270 nan 0.000 0.406 113 R N 1.096 121.605 120.500 0.015 0.000 2.228 113 R HA -0.241 4.099 4.340 -0.001 0.000 0.264 113 R C 1.105 177.413 176.300 0.013 0.000 1.179 113 R CA 2.232 58.341 56.100 0.015 0.000 0.998 113 R CB -0.081 30.227 30.300 0.013 0.000 0.885 113 R HN 0.375 nan 8.270 nan 0.000 0.466 114 D N -0.216 120.191 120.400 0.012 0.000 2.091 114 D HA -0.138 4.502 4.640 -0.001 0.000 0.199 114 D C 1.700 178.007 176.300 0.012 0.000 0.980 114 D CA 0.837 54.843 54.000 0.011 0.000 0.831 114 D CB -0.159 40.646 40.800 0.009 0.000 0.987 114 D HN 0.223 nan 8.370 nan 0.000 0.460 115 K N 0.396 120.804 120.400 0.013 0.000 2.001 115 K HA -0.161 4.158 4.320 -0.001 0.000 0.214 115 K C 2.143 178.752 176.600 0.016 0.000 1.050 115 K CA 1.238 57.533 56.287 0.014 0.000 0.934 115 K CB 0.029 32.539 32.500 0.015 0.000 0.718 115 K HN -0.070 nan 8.250 nan 0.000 0.443 116 M N 0.658 120.270 119.600 0.019 0.000 2.149 116 M HA -0.159 4.321 4.480 -0.001 0.000 0.261 116 M C 2.190 178.501 176.300 0.020 0.000 1.064 116 M CA 1.493 56.806 55.300 0.022 0.000 1.102 116 M CB -1.230 31.385 32.600 0.025 0.000 1.369 116 M HN 0.242 nan 8.290 nan 0.000 0.408 117 R N 0.469 120.979 120.500 0.016 0.000 2.083 117 R HA -0.185 4.154 4.340 -0.001 0.000 0.237 117 R C 1.566 177.873 176.300 0.012 0.000 1.137 117 R CA 1.911 58.019 56.100 0.013 0.000 0.951 117 R CB -0.072 30.235 30.300 0.011 0.000 0.851 117 R HN 0.297 nan 8.270 nan 0.000 0.434 118 D N 0.110 120.517 120.400 0.011 0.000 2.123 118 D HA -0.074 4.566 4.640 -0.001 0.000 0.200 118 D C 1.780 178.086 176.300 0.010 0.000 0.976 118 D CA 1.396 55.401 54.000 0.009 0.000 0.831 118 D CB -0.386 40.419 40.800 0.008 0.000 0.974 118 D HN 0.355 nan 8.370 nan 0.000 0.469 119 A N 0.763 123.591 122.820 0.013 0.000 1.859 119 A HA -0.249 4.070 4.320 -0.001 0.000 0.217 119 A C 2.592 180.185 177.584 0.015 0.000 1.198 119 A CA 1.849 53.895 52.037 0.014 0.000 0.629 119 A CB -1.189 17.822 19.000 0.018 0.000 0.830 119 A HN 0.374 nan 8.150 nan 0.000 0.446 120 C N -0.674 118.638 119.300 0.020 0.000 2.393 120 C HA -0.141 4.318 4.460 -0.001 0.000 0.276 120 C C 2.757 177.756 174.990 0.015 0.000 1.215 120 C CA 1.514 60.546 59.018 0.024 0.000 1.743 120 C CB -1.146 26.611 27.740 0.029 0.000 2.044 120 C HN 0.763 nan 8.230 nan 0.000 0.464 121 K N 0.674 121.080 120.400 0.011 0.000 2.097 121 K HA -0.202 4.118 4.320 -0.001 0.000 0.206 121 K C 2.350 178.950 176.600 0.000 0.000 1.049 121 K CA 1.450 57.740 56.287 0.005 0.000 0.933 121 K CB -0.268 32.235 32.500 0.004 0.000 0.717 121 K HN 0.442 nan 8.250 nan 0.000 0.442 122 R N 0.645 121.146 120.500 0.002 0.000 2.070 122 R HA -0.085 4.255 4.340 -0.001 0.000 0.232 122 R C 2.374 178.671 176.300 -0.006 0.000 1.138 122 R CA 1.604 57.703 56.100 -0.002 0.000 0.936 122 R CB -0.319 29.981 30.300 0.000 0.000 0.839 122 R HN 0.205 nan 8.270 nan 0.000 0.429 123 L N 0.299 121.520 121.223 -0.004 0.000 2.042 123 L HA -0.164 4.175 4.340 -0.001 0.000 0.210 123 L C 2.726 179.584 176.870 -0.020 0.000 1.076 123 L CA 1.345 56.179 54.840 -0.010 0.000 0.749 123 L CB -0.691 41.368 42.059 -0.001 0.000 0.893 123 L HN 0.370 nan 8.230 nan 0.000 0.432 124 A N -0.218 122.595 122.820 -0.011 0.000 1.940 124 A HA -0.230 4.089 4.320 -0.001 0.000 0.219 124 A C 1.934 179.503 177.584 -0.026 0.000 1.176 124 A CA 1.945 53.972 52.037 -0.016 0.000 0.631 124 A CB -0.473 18.526 19.000 -0.003 0.000 0.814 124 A HN 0.384 nan 8.150 nan 0.000 0.446 125 D N -0.241 120.147 120.400 -0.020 0.000 2.312 125 D HA 0.055 4.694 4.640 -0.001 0.000 0.211 125 D C 1.778 178.061 176.300 -0.029 0.000 0.964 125 D CA 1.132 55.120 54.000 -0.021 0.000 0.877 125 D CB -0.078 40.714 40.800 -0.015 0.000 0.924 125 D HN 0.460 nan 8.370 nan 0.000 0.515 126 A N -0.185 122.615 122.820 -0.033 0.000 2.251 126 A HA 0.406 4.725 4.320 -0.001 0.000 0.209 126 A C 1.724 179.271 177.584 -0.062 0.000 1.187 126 A CA 0.913 52.926 52.037 -0.040 0.000 0.823 126 A CB -0.003 18.976 19.000 -0.034 0.000 0.846 126 A HN 0.212 nan 8.150 nan 0.000 0.486 127 G N -0.700 108.057 108.800 -0.072 0.000 2.157 127 G HA2 -0.215 3.745 3.960 -0.001 0.000 0.248 127 G HA3 -0.215 3.745 3.960 -0.001 0.000 0.248 127 G C 0.064 174.863 174.900 -0.168 0.000 0.979 127 G CA 0.219 45.253 45.100 -0.110 0.000 0.650 127 G HN 0.507 nan 8.290 nan 0.000 0.529 128 I N 1.293 121.785 120.570 -0.130 0.000 2.352 128 I HA 0.226 4.395 4.170 -0.001 0.000 0.290 128 I C 0.750 176.797 176.117 -0.116 0.000 1.036 128 I CA -0.404 60.804 61.300 -0.153 0.000 1.336 128 I CB 1.091 39.042 38.000 -0.082 0.000 1.407 128 I HN 0.078 nan 8.210 nan 0.000 0.497 129 Q N 5.458 125.147 119.800 -0.184 0.000 2.296 129 Q HA 0.283 4.623 4.340 -0.001 0.000 0.263 129 Q C -0.658 175.413 176.000 0.118 0.000 1.026 129 Q CA -0.346 55.455 55.803 -0.003 0.000 0.912 129 Q CB 1.606 30.342 28.738 -0.003 0.000 1.198 129 Q HN 0.464 nan 8.270 nan 0.000 0.407 130 V N 2.123 122.118 119.914 0.135 0.000 2.567 130 V HA 0.323 4.442 4.120 -0.001 0.000 0.289 130 V C 0.163 176.360 176.094 0.170 0.000 1.049 130 V CA -0.329 62.044 62.300 0.122 0.000 0.969 130 V CB 1.629 33.504 31.823 0.086 0.000 0.995 130 V HN 0.708 nan 8.190 nan 0.000 0.471 131 S N 4.700 120.465 115.700 0.108 0.000 2.538 131 S HA 0.693 5.162 4.470 -0.001 0.000 0.288 131 S C -1.066 173.599 174.600 0.108 0.000 1.108 131 S CA -0.707 57.572 58.200 0.133 0.000 0.971 131 S CB 0.973 64.190 63.200 0.029 0.000 1.041 131 S HN 0.562 nan 8.310 nan 0.000 0.483 132 L N 4.726 126.019 121.223 0.117 0.000 2.272 132 L HA 0.494 4.833 4.340 -0.001 0.000 0.289 132 L C -0.426 176.515 176.870 0.117 0.000 1.032 132 L CA -0.711 54.190 54.840 0.101 0.000 0.810 132 L CB 0.881 42.983 42.059 0.072 0.000 1.205 132 L HN 0.720 nan 8.230 nan 0.000 0.422 133 F N 6.539 126.477 119.950 -0.020 0.000 2.468 133 F HA 0.422 4.948 4.527 -0.001 0.000 0.356 133 F C 0.214 176.006 175.800 -0.013 0.000 1.167 133 F CA -0.474 57.501 58.000 -0.042 0.000 1.135 133 F CB 0.161 39.098 39.000 -0.106 0.000 1.197 133 F HN 0.325 nan 8.300 nan 0.000 0.569 134 I N 1.828 122.162 120.570 -0.394 0.000 3.145 134 I HA 0.565 4.735 4.170 -0.001 0.000 0.313 134 I C -0.935 174.991 176.117 -0.319 0.000 1.122 134 I CA -1.209 59.920 61.300 -0.284 0.000 0.987 134 I CB 1.765 39.706 38.000 -0.099 0.000 1.236 134 I HN 0.171 nan 8.210 nan 0.000 0.453 135 D N 2.007 122.303 120.400 -0.173 0.000 2.354 135 D HA 0.308 4.947 4.640 -0.001 0.000 0.247 135 D C 0.149 176.399 176.300 -0.083 0.000 1.138 135 D CA -0.217 53.709 54.000 -0.123 0.000 0.958 135 D CB 1.728 42.476 40.800 -0.086 0.000 1.144 135 D HN 0.745 nan 8.370 nan 0.000 0.458 136 A N 1.315 124.095 122.820 -0.066 0.000 3.046 136 A HA 0.113 4.432 4.320 -0.001 0.000 0.259 136 A C -0.046 177.510 177.584 -0.047 0.000 1.843 136 A CA -0.028 51.983 52.037 -0.043 0.000 1.451 136 A CB -0.870 18.107 19.000 -0.038 0.000 1.025 136 A HN 0.414 nan 8.150 nan 0.000 0.625 137 D N -0.249 120.125 120.400 -0.044 0.000 2.492 137 D HA 0.263 4.903 4.640 -0.001 0.000 0.248 137 D C 0.908 177.174 176.300 -0.056 0.000 1.101 137 D CA -0.514 53.452 54.000 -0.056 0.000 0.840 137 D CB 0.958 41.730 40.800 -0.046 0.000 1.209 137 D HN 0.179 nan 8.370 nan 0.000 0.524 138 E N 2.512 122.627 120.200 -0.142 0.000 2.114 138 E HA -0.292 4.058 4.350 -0.001 0.000 0.199 138 E C 1.205 177.771 176.600 -0.057 0.000 1.008 138 E CA 1.199 57.450 56.400 -0.249 0.000 0.810 138 E CB 0.130 29.556 29.700 -0.456 0.000 0.739 138 E HN 0.789 nan 8.360 nan 0.000 0.456 139 E N 0.389 120.562 120.200 -0.046 0.000 2.023 139 E HA -0.229 4.120 4.350 -0.001 0.000 0.196 139 E C 2.140 178.761 176.600 0.035 0.000 1.003 139 E CA 1.206 57.605 56.400 -0.000 0.000 0.809 139 E CB 0.146 29.837 29.700 -0.014 0.000 0.755 139 E HN 0.147 nan 8.360 nan 0.000 0.449 140 Q N 0.229 120.043 119.800 0.023 0.000 2.096 140 Q HA -0.168 4.172 4.340 -0.001 0.000 0.204 140 Q C 2.422 178.456 176.000 0.057 0.000 0.982 140 Q CA 1.225 57.045 55.803 0.029 0.000 0.850 140 Q CB -0.325 28.417 28.738 0.006 0.000 0.901 140 Q HN 0.495 nan 8.270 nan 0.000 0.422 141 I N 0.811 121.441 120.570 0.100 0.000 2.163 141 I HA -0.303 3.866 4.170 -0.001 0.000 0.243 141 I C 2.373 178.572 176.117 0.137 0.000 1.085 141 I CA 1.303 62.690 61.300 0.145 0.000 1.347 141 I CB -0.308 37.876 38.000 0.306 0.000 1.044 141 I HN 0.176 nan 8.210 nan 0.000 0.408 142 K N 0.852 121.378 120.400 0.210 0.000 2.063 142 K HA -0.176 4.144 4.320 -0.001 0.000 0.208 142 K C 2.286 178.926 176.600 0.066 0.000 1.048 142 K CA 1.544 57.919 56.287 0.147 0.000 0.928 142 K CB -0.271 32.338 32.500 0.181 0.000 0.713 142 K HN 0.337 nan 8.250 nan 0.000 0.442 143 A N 1.560 124.415 122.820 0.059 0.000 1.877 143 A HA -0.158 4.161 4.320 -0.001 0.000 0.216 143 A C 2.391 179.992 177.584 0.028 0.000 1.186 143 A CA 1.975 54.034 52.037 0.036 0.000 0.620 143 A CB -0.764 18.256 19.000 0.032 0.000 0.822 143 A HN 0.350 nan 8.150 nan 0.000 0.443 144 A N -0.230 122.608 122.820 0.030 0.000 1.908 144 A HA 0.120 4.439 4.320 -0.001 0.000 0.218 144 A C 2.504 180.094 177.584 0.009 0.000 1.181 144 A CA 2.281 54.332 52.037 0.024 0.000 0.627 144 A CB -1.016 18.000 19.000 0.027 0.000 0.818 144 A HN 1.065 nan 8.150 nan 0.000 0.445 145 A N -0.485 122.332 122.820 -0.005 0.000 1.855 145 A HA -0.179 4.140 4.320 -0.001 0.000 0.215 145 A C 2.100 179.674 177.584 -0.017 0.000 1.191 145 A CA 1.781 53.800 52.037 -0.030 0.000 0.613 145 A CB -0.548 18.414 19.000 -0.062 0.000 0.829 145 A HN 0.535 nan 8.150 nan 0.000 0.442 146 E N 0.299 120.497 120.200 -0.005 0.000 2.118 146 E HA -0.135 4.215 4.350 -0.001 0.000 0.195 146 E C 1.858 178.460 176.600 0.003 0.000 0.992 146 E CA 1.592 57.992 56.400 -0.000 0.000 0.804 146 E CB -0.201 29.504 29.700 0.009 0.000 0.741 146 E HN 0.293 nan 8.360 nan 0.000 0.458 147 V N -0.077 119.842 119.914 0.009 0.000 2.970 147 V HA -0.060 4.060 4.120 -0.001 0.000 0.260 147 V C 1.760 177.861 176.094 0.012 0.000 1.100 147 V CA 1.308 63.615 62.300 0.012 0.000 1.122 147 V CB -0.139 31.695 31.823 0.019 0.000 0.721 147 V HN 0.592 nan 8.190 nan 0.000 0.483 148 G N -0.555 108.249 108.800 0.008 0.000 2.179 148 G HA2 -0.131 3.829 3.960 -0.001 0.000 0.220 148 G HA3 -0.131 3.829 3.960 -0.001 0.000 0.220 148 G C 0.286 175.199 174.900 0.022 0.000 0.990 148 G CA 0.045 45.150 45.100 0.009 0.000 0.646 148 G HN 1.017 nan 8.290 nan 0.000 0.517 149 A N 0.651 123.491 122.820 0.033 0.000 2.450 149 A HA 0.672 4.991 4.320 -0.001 0.000 0.255 149 A C -0.259 177.364 177.584 0.066 0.000 1.096 149 A CA -0.124 51.952 52.037 0.066 0.000 0.778 149 A CB 0.615 19.661 19.000 0.077 0.000 1.031 149 A HN 0.105 nan 8.150 nan 0.000 0.494 150 P HA 0.028 nan 4.420 nan 0.000 0.219 150 P C -0.308 176.971 177.300 -0.035 0.000 1.150 150 P CA 1.086 64.231 63.100 0.074 0.000 0.814 150 P CB 0.118 31.965 31.700 0.244 0.000 0.787 151 F N -0.752 119.197 119.950 -0.002 0.000 2.579 151 F HA 0.485 5.011 4.527 -0.001 0.000 0.324 151 F C 0.423 176.216 175.800 -0.010 0.000 1.058 151 F CA -1.406 56.581 58.000 -0.021 0.000 0.944 151 F CB 1.333 40.316 39.000 -0.028 0.000 1.245 151 F HN -0.318 nan 8.300 nan 0.000 0.477 152 I N -1.083 119.603 120.570 0.194 0.000 2.828 152 I HA 0.695 4.865 4.170 -0.001 0.000 0.302 152 I C -1.431 174.756 176.117 0.117 0.000 1.101 152 I CA -0.806 60.561 61.300 0.111 0.000 1.031 152 I CB 2.503 40.529 38.000 0.042 0.000 1.231 152 I HN 0.656 nan 8.210 nan 0.000 0.427 153 E N 5.222 125.468 120.200 0.077 0.000 2.220 153 E HA 0.476 4.825 4.350 -0.001 0.000 0.256 153 E C -1.370 175.203 176.600 -0.046 0.000 0.881 153 E CA -0.711 55.738 56.400 0.081 0.000 0.766 153 E CB 1.592 31.401 29.700 0.182 0.000 1.187 153 E HN 0.684 nan 8.360 nan 0.000 0.419 154 I N 4.226 124.778 120.570 -0.030 0.000 2.517 154 I HA 0.039 4.208 4.170 -0.001 0.000 0.285 154 I C 0.649 176.732 176.117 -0.057 0.000 1.106 154 I CA -0.148 61.104 61.300 -0.080 0.000 1.402 154 I CB 0.321 38.306 38.000 -0.025 0.000 1.399 154 I HN 0.582 nan 8.210 nan 0.000 0.535 155 H N 5.646 124.509 119.070 -0.344 0.000 3.091 155 H HA 0.007 4.563 4.556 -0.001 0.000 0.289 155 H C 0.980 176.314 175.328 0.010 0.000 0.995 155 H CA -0.209 55.700 56.048 -0.232 0.000 1.461 155 H CB 0.779 30.289 29.762 -0.420 0.000 1.510 155 H HN 0.761 nan 8.280 nan 0.000 0.546 156 T N 0.522 115.346 114.554 0.450 0.000 3.086 156 T HA 0.101 4.450 4.350 -0.001 0.000 0.250 156 T C 2.150 177.095 174.700 0.409 0.000 1.074 156 T CA 0.094 62.401 62.100 0.345 0.000 0.988 156 T CB 0.356 69.399 68.868 0.291 0.000 0.988 156 T HN 0.673 nan 8.240 nan 0.000 0.530 157 G N 1.205 110.363 108.800 0.597 0.000 2.513 157 G HA2 -0.292 3.667 3.960 -0.001 0.000 0.219 157 G HA3 -0.292 3.667 3.960 -0.001 0.000 0.219 157 G C 1.739 176.724 174.900 0.142 0.000 1.160 157 G CA 1.144 46.492 45.100 0.415 0.000 0.767 157 G HN 0.594 nan 8.290 nan 0.000 0.571 158 C N -0.751 118.542 119.300 -0.012 0.000 2.413 158 C HA -0.046 4.414 4.460 -0.001 0.000 0.277 158 C C 2.456 177.494 174.990 0.080 0.000 1.265 158 C CA 0.826 59.843 59.018 -0.001 0.000 1.752 158 C CB -1.074 26.633 27.740 -0.055 0.000 1.998 158 C HN 0.609 nan 8.230 nan 0.000 0.489 159 Y N 1.622 121.932 120.300 0.018 0.000 2.293 159 Y HA -0.016 4.533 4.550 -0.001 0.000 0.291 159 Y C 2.304 178.232 175.900 0.047 0.000 1.137 159 Y CA 1.494 59.613 58.100 0.031 0.000 1.202 159 Y CB -0.372 38.111 38.460 0.039 0.000 0.990 159 Y HN 0.203 nan 8.280 nan 0.000 0.537 160 A N 0.152 122.926 122.820 -0.077 0.000 1.929 160 A HA -0.119 4.200 4.320 -0.001 0.000 0.216 160 A C 1.688 179.202 177.584 -0.115 0.000 1.176 160 A CA 1.672 53.609 52.037 -0.167 0.000 0.628 160 A CB -0.560 18.463 19.000 0.038 0.000 0.816 160 A HN 0.554 nan 8.150 nan 0.000 0.444 161 D N 0.480 120.859 120.400 -0.035 0.000 2.347 161 D HA 0.178 4.818 4.640 -0.001 0.000 0.213 161 D C 0.938 177.215 176.300 -0.039 0.000 0.985 161 D CA 0.788 54.776 54.000 -0.020 0.000 0.879 161 D CB -0.378 40.431 40.800 0.015 0.000 0.919 161 D HN 0.393 nan 8.370 nan 0.000 0.526 162 A N 1.417 124.198 122.820 -0.065 0.000 2.553 162 A HA -0.109 4.211 4.320 -0.001 0.000 0.258 162 A C 1.390 178.943 177.584 -0.052 0.000 1.069 162 A CA 0.200 52.207 52.037 -0.050 0.000 0.767 162 A CB 0.152 19.119 19.000 -0.056 0.000 0.997 162 A HN 0.029 nan 8.150 nan 0.000 0.512 163 K N 1.020 121.402 120.400 -0.029 0.000 2.057 163 K HA -0.076 4.244 4.320 -0.001 0.000 0.207 163 K C 1.077 177.662 176.600 -0.025 0.000 1.049 163 K CA 1.741 58.013 56.287 -0.025 0.000 0.931 163 K CB -0.181 32.310 32.500 -0.015 0.000 0.714 163 K HN 0.910 nan 8.250 nan 0.000 0.440 164 T N -1.382 113.161 114.554 -0.018 0.000 2.945 164 T HA 0.151 4.500 4.350 -0.001 0.000 0.286 164 T C 0.554 175.249 174.700 -0.009 0.000 1.025 164 T CA -1.023 61.069 62.100 -0.013 0.000 1.039 164 T CB 1.630 70.495 68.868 -0.005 0.000 1.068 164 T HN -0.073 nan 8.240 nan 0.000 0.497 165 D N 1.212 121.610 120.400 -0.003 0.000 2.116 165 D HA -0.163 4.476 4.640 -0.001 0.000 0.193 165 D C 2.267 178.578 176.300 0.019 0.000 0.998 165 D CA 1.702 55.707 54.000 0.007 0.000 0.836 165 D CB -0.560 40.246 40.800 0.010 0.000 0.951 165 D HN 0.739 nan 8.370 nan 0.000 0.449 166 A N 1.064 123.893 122.820 0.015 0.000 1.898 166 A HA -0.192 4.128 4.320 -0.001 0.000 0.216 166 A C 2.107 179.706 177.584 0.024 0.000 1.181 166 A CA 1.536 53.585 52.037 0.019 0.000 0.620 166 A CB -0.597 18.411 19.000 0.013 0.000 0.819 166 A HN 0.250 nan 8.150 nan 0.000 0.442 167 E N -0.697 119.513 120.200 0.017 0.000 2.333 167 E HA -0.236 4.114 4.350 -0.001 0.000 0.198 167 E C 2.030 178.653 176.600 0.038 0.000 1.007 167 E CA 1.191 57.602 56.400 0.019 0.000 0.845 167 E CB -0.056 29.648 29.700 0.006 0.000 0.766 167 E HN 0.800 nan 8.360 nan 0.000 0.507 168 Q N -0.469 119.357 119.800 0.042 0.000 2.134 168 Q HA 0.021 4.360 4.340 -0.001 0.000 0.195 168 Q C 2.026 178.122 176.000 0.161 0.000 0.958 168 Q CA 0.909 56.764 55.803 0.086 0.000 0.840 168 Q CB -0.080 28.669 28.738 0.019 0.000 0.918 168 Q HN 0.288 nan 8.270 nan 0.000 0.467 169 A N 0.639 123.522 122.820 0.106 0.000 2.070 169 A HA -0.242 4.078 4.320 -0.001 0.000 0.220 169 A C 1.878 179.505 177.584 0.072 0.000 1.159 169 A CA 1.570 53.663 52.037 0.093 0.000 0.656 169 A CB -0.491 18.544 19.000 0.059 0.000 0.800 169 A HN 0.574 nan 8.150 nan 0.000 0.453 170 Q N -0.635 119.205 119.800 0.066 0.000 2.008 170 Q HA -0.140 4.200 4.340 -0.001 0.000 0.196 170 Q C 1.757 177.789 176.000 0.053 0.000 0.973 170 Q CA 1.185 57.015 55.803 0.045 0.000 0.826 170 Q CB -0.116 28.642 28.738 0.033 0.000 0.894 170 Q HN 0.582 nan 8.270 nan 0.000 0.439 171 E N 0.867 121.122 120.200 0.091 0.000 2.153 171 E HA -0.190 4.159 4.350 -0.001 0.000 0.194 171 E C 2.048 178.693 176.600 0.075 0.000 0.988 171 E CA 0.641 57.105 56.400 0.106 0.000 0.811 171 E CB -0.226 29.586 29.700 0.187 0.000 0.746 171 E HN 0.435 nan 8.360 nan 0.000 0.466 172 L N 0.380 121.659 121.223 0.092 0.000 2.056 172 L HA -0.149 4.191 4.340 -0.001 0.000 0.207 172 L C 2.282 179.122 176.870 -0.049 0.000 1.078 172 L CA 1.290 56.096 54.840 -0.057 0.000 0.749 172 L CB -0.308 41.754 42.059 0.005 0.000 0.901 172 L HN 0.055 nan 8.230 nan 0.000 0.433 173 A N 0.031 122.848 122.820 -0.006 0.000 1.877 173 A HA -0.276 4.044 4.320 -0.001 0.000 0.216 173 A C 2.379 179.952 177.584 -0.019 0.000 1.186 173 A CA 1.783 53.814 52.037 -0.010 0.000 0.620 173 A CB -0.617 18.384 19.000 0.002 0.000 0.822 173 A HN 0.466 nan 8.150 nan 0.000 0.443 174 R N -0.238 120.252 120.500 -0.016 0.000 2.073 174 R HA -0.098 4.242 4.340 -0.001 0.000 0.234 174 R C 1.970 178.252 176.300 -0.030 0.000 1.134 174 R CA 1.805 57.890 56.100 -0.024 0.000 0.952 174 R CB -0.402 29.886 30.300 -0.019 0.000 0.850 174 R HN 0.562 nan 8.270 nan 0.000 0.433 175 I N 0.633 121.178 120.570 -0.042 0.000 2.179 175 I HA -0.248 3.921 4.170 -0.001 0.000 0.242 175 I C 2.584 178.677 176.117 -0.040 0.000 1.088 175 I CA 1.335 62.603 61.300 -0.052 0.000 1.357 175 I CB -0.488 37.448 38.000 -0.106 0.000 1.051 175 I HN 0.312 nan 8.210 nan 0.000 0.409 176 A N 0.773 123.565 122.820 -0.047 0.000 1.940 176 A HA -0.237 4.083 4.320 -0.001 0.000 0.219 176 A C 2.294 179.877 177.584 -0.001 0.000 1.176 176 A CA 1.759 53.778 52.037 -0.029 0.000 0.631 176 A CB -0.431 18.550 19.000 -0.031 0.000 0.814 176 A HN 0.346 nan 8.150 nan 0.000 0.446 177 K N -0.492 119.909 120.400 0.001 0.000 2.062 177 K HA 0.073 4.393 4.320 -0.001 0.000 0.205 177 K C 2.286 178.923 176.600 0.062 0.000 1.051 177 K CA 0.962 57.262 56.287 0.021 0.000 0.941 177 K CB -0.272 32.224 32.500 -0.006 0.000 0.719 177 K HN 0.416 nan 8.250 nan 0.000 0.440 178 A N 1.346 124.191 122.820 0.042 0.000 1.972 178 A HA -0.099 4.221 4.320 -0.001 0.000 0.219 178 A C 2.306 179.959 177.584 0.116 0.000 1.169 178 A CA 1.811 53.901 52.037 0.089 0.000 0.635 178 A CB -0.599 18.420 19.000 0.032 0.000 0.810 178 A HN 0.326 nan 8.150 nan 0.000 0.446 179 A N -1.068 121.785 122.820 0.054 0.000 1.897 179 A HA -0.025 4.294 4.320 -0.001 0.000 0.215 179 A C 2.284 179.887 177.584 0.031 0.000 1.181 179 A CA 2.098 54.154 52.037 0.031 0.000 0.620 179 A CB -1.134 17.870 19.000 0.006 0.000 0.821 179 A HN 0.405 nan 8.150 nan 0.000 0.443 180 T N -0.666 113.916 114.554 0.047 0.000 2.788 180 T HA -0.106 4.243 4.350 -0.001 0.000 0.268 180 T C 1.601 176.337 174.700 0.059 0.000 1.044 180 T CA 1.496 63.619 62.100 0.039 0.000 1.139 180 T CB -0.370 68.526 68.868 0.046 0.000 0.867 180 T HN 0.446 nan 8.240 nan 0.000 0.454 181 F N 2.437 122.370 119.950 -0.028 0.000 2.075 181 F HA 0.015 4.542 4.527 -0.001 0.000 0.297 181 F C 2.495 178.275 175.800 -0.032 0.000 1.113 181 F CA 0.944 58.927 58.000 -0.028 0.000 1.218 181 F CB -0.944 38.040 39.000 -0.027 0.000 0.984 181 F HN 0.142 nan 8.300 nan 0.000 0.472 182 A N 0.616 123.399 122.820 -0.063 0.000 1.892 182 A HA -0.188 4.131 4.320 -0.001 0.000 0.218 182 A C 2.455 179.913 177.584 -0.210 0.000 1.188 182 A CA 2.446 54.388 52.037 -0.158 0.000 0.631 182 A CB -1.714 17.266 19.000 -0.034 0.000 0.822 182 A HN 0.567 nan 8.150 nan 0.000 0.447 183 A N 0.221 122.958 122.820 -0.140 0.000 1.908 183 A HA -0.132 4.188 4.320 -0.001 0.000 0.218 183 A C 2.503 179.991 177.584 -0.161 0.000 1.181 183 A CA 2.567 54.524 52.037 -0.132 0.000 0.627 183 A CB -1.118 17.834 19.000 -0.081 0.000 0.818 183 A HN 1.191 nan 8.150 nan 0.000 0.445 184 S N -0.924 114.663 115.700 -0.188 0.000 2.442 184 S HA -0.054 4.416 4.470 -0.001 0.000 0.236 184 S C 1.241 175.698 174.600 -0.238 0.000 1.007 184 S CA 1.380 59.467 58.200 -0.188 0.000 0.965 184 S CB -0.340 62.756 63.200 -0.173 0.000 0.773 184 S HN 0.208 nan 8.310 nan 0.000 0.504 185 L N 1.533 122.559 121.223 -0.328 0.000 2.611 185 L HA 0.422 4.761 4.340 -0.001 0.000 0.229 185 L C 1.813 178.569 176.870 -0.190 0.000 1.137 185 L CA 0.638 55.306 54.840 -0.287 0.000 0.901 185 L CB -0.684 41.147 42.059 -0.380 0.000 1.098 185 L HN 0.584 nan 8.230 nan 0.000 0.456 186 G N -0.811 107.887 108.800 -0.170 0.000 2.159 186 G HA2 -0.274 3.685 3.960 -0.001 0.000 0.256 186 G HA3 -0.274 3.685 3.960 -0.001 0.000 0.256 186 G C 0.375 175.176 174.900 -0.166 0.000 0.977 186 G CA 0.161 45.175 45.100 -0.144 0.000 0.652 186 G HN 0.277 nan 8.290 nan 0.000 0.531 187 L N 0.305 121.419 121.223 -0.181 0.000 2.375 187 L HA 0.476 4.815 4.340 -0.001 0.000 0.271 187 L C 0.850 177.564 176.870 -0.259 0.000 1.107 187 L CA -0.525 54.195 54.840 -0.200 0.000 0.806 187 L CB 0.997 42.968 42.059 -0.147 0.000 1.146 187 L HN 0.003 nan 8.230 nan 0.000 0.447 188 K N 1.839 121.980 120.400 -0.432 0.000 2.156 188 K HA 0.495 4.815 4.320 -0.001 0.000 0.271 188 K C -0.971 175.443 176.600 -0.310 0.000 0.995 188 K CA -0.496 55.459 56.287 -0.553 0.000 0.890 188 K CB 2.248 33.982 32.500 -1.277 0.000 1.073 188 K HN 0.328 nan 8.250 nan 0.000 0.454 189 V N 3.298 123.150 119.914 -0.103 0.000 2.540 189 V HA 0.464 4.584 4.120 -0.001 0.000 0.302 189 V C -1.219 174.951 176.094 0.127 0.000 1.035 189 V CA -0.575 61.743 62.300 0.030 0.000 0.873 189 V CB 1.485 33.310 31.823 0.003 0.000 0.992 189 V HN 0.719 nan 8.190 nan 0.000 0.428 190 N N 4.011 122.803 118.700 0.153 0.000 2.531 190 N HA 0.983 5.722 4.740 -0.001 0.000 0.290 190 N C -0.182 175.378 175.510 0.083 0.000 1.257 190 N CA 0.164 53.292 53.050 0.131 0.000 0.863 190 N CB 2.146 40.707 38.487 0.124 0.000 1.320 190 N HN 1.101 nan 8.380 nan 0.000 0.538 191 A N -1.203 121.660 122.820 0.072 0.000 3.201 191 A HA 0.913 5.233 4.320 -0.001 0.000 0.303 191 A C -0.433 177.209 177.584 0.098 0.000 1.173 191 A CA 0.006 52.093 52.037 0.083 0.000 0.621 191 A CB 0.601 19.631 19.000 0.050 0.000 1.468 191 A HN 1.200 nan 8.150 nan 0.000 0.632 192 G N -1.642 107.229 108.800 0.119 0.000 2.619 192 G HA2 0.492 4.451 3.960 -0.001 0.000 0.686 192 G HA3 0.492 4.451 3.960 -0.001 0.000 0.686 192 G C -0.439 174.607 174.900 0.242 0.000 1.256 192 G CA 0.689 45.862 45.100 0.122 0.000 0.826 192 G HN 2.978 nan 8.290 nan 0.000 0.619 193 H N -0.600 118.535 119.070 0.109 0.000 4.245 193 H HA 0.217 4.772 4.556 -0.001 0.000 0.463 193 H C 1.121 176.560 175.328 0.185 0.000 1.234 193 H CA 2.357 58.475 56.048 0.117 0.000 1.390 193 H CB -1.085 28.744 29.762 0.111 0.000 1.828 193 H HN 2.959 nan 8.280 nan 0.000 0.452 194 G N 3.217 111.970 108.800 -0.079 0.000 2.232 194 G HA2 -0.247 3.713 3.960 -0.001 0.000 0.226 194 G HA3 -0.247 3.713 3.960 -0.001 0.000 0.226 194 G C 0.534 175.489 174.900 0.090 0.000 0.996 194 G CA 0.039 45.167 45.100 0.047 0.000 0.626 194 G HN 0.522 nan 8.290 nan 0.000 0.509 195 L N 2.096 123.375 121.223 0.094 0.000 2.483 195 L HA 0.490 4.830 4.340 -0.001 0.000 0.276 195 L C 1.368 178.240 176.870 0.004 0.000 1.213 195 L CA 0.965 55.855 54.840 0.083 0.000 0.843 195 L CB 0.666 42.761 42.059 0.060 0.000 1.107 195 L HN 0.536 nan 8.230 nan 0.000 0.487 196 T N -2.087 112.469 114.554 0.003 0.000 2.858 196 T HA 0.321 4.671 4.350 -0.001 0.000 0.285 196 T C 0.724 175.350 174.700 -0.123 0.000 1.052 196 T CA -0.597 61.484 62.100 -0.032 0.000 1.009 196 T CB 0.592 69.524 68.868 0.106 0.000 1.241 196 T HN 0.346 nan 8.240 nan 0.000 0.542 197 Y N -0.452 119.828 120.300 -0.033 0.000 2.421 197 Y HA 0.047 4.597 4.550 0.000 0.000 0.292 197 Y C 2.371 178.114 175.900 -0.262 0.000 1.136 197 Y CA 1.356 59.363 58.100 -0.156 0.000 1.255 197 Y CB -0.468 37.851 38.460 -0.236 0.000 0.991 197 Y HN 0.774 nan 8.280 nan 0.000 0.552 198 H N -1.380 117.778 119.070 0.146 0.000 2.592 198 H HA 0.080 4.635 4.556 -0.001 0.000 0.265 198 H C 1.337 176.707 175.328 0.070 0.000 0.955 198 H CA 0.841 56.947 56.048 0.096 0.000 1.175 198 H CB 0.176 29.981 29.762 0.073 0.000 1.433 198 H HN 0.482 nan 8.280 nan 0.000 0.537 199 N N -0.603 118.186 118.700 0.149 0.000 2.166 199 N HA -0.027 4.712 4.740 -0.001 0.000 0.213 199 N C 1.248 176.896 175.510 0.229 0.000 1.222 199 N CA 0.223 53.376 53.050 0.172 0.000 0.900 199 N CB 0.258 38.776 38.487 0.050 0.000 1.055 199 N HN 0.047 nan 8.380 nan 0.000 0.515 200 V N 2.078 122.061 119.914 0.115 0.000 2.392 200 V HA -0.231 3.889 4.120 -0.001 0.000 0.249 200 V C 2.238 178.365 176.094 0.056 0.000 1.059 200 V CA 1.884 64.225 62.300 0.068 0.000 1.051 200 V CB -0.481 31.322 31.823 -0.035 0.000 0.658 200 V HN 0.238 nan 8.190 nan 0.000 0.455 201 K N -0.002 120.433 120.400 0.058 0.000 2.032 201 K HA -0.164 4.156 4.320 -0.001 0.000 0.209 201 K C 2.279 178.901 176.600 0.036 0.000 1.048 201 K CA 1.577 57.889 56.287 0.041 0.000 0.927 201 K CB -0.513 32.014 32.500 0.046 0.000 0.712 201 K HN 0.577 nan 8.250 nan 0.000 0.441 202 A N 1.440 124.300 122.820 0.067 0.000 1.940 202 A HA -0.163 4.157 4.320 -0.001 0.000 0.219 202 A C 2.017 179.568 177.584 -0.054 0.000 1.176 202 A CA 1.299 53.354 52.037 0.030 0.000 0.631 202 A CB -0.400 18.657 19.000 0.095 0.000 0.814 202 A HN 0.126 nan 8.150 nan 0.000 0.446 203 I N -0.379 120.143 120.570 -0.079 0.000 2.406 203 I HA -0.129 4.041 4.170 -0.001 0.000 0.249 203 I C 2.858 178.939 176.117 -0.060 0.000 1.122 203 I CA 1.217 62.440 61.300 -0.129 0.000 1.431 203 I CB -1.571 36.352 38.000 -0.128 0.000 1.087 203 I HN 0.349 nan 8.210 nan 0.000 0.424 204 A N 0.951 123.753 122.820 -0.029 0.000 1.969 204 A HA -0.056 4.264 4.320 -0.001 0.000 0.218 204 A C 2.464 180.036 177.584 -0.020 0.000 1.169 204 A CA 1.586 53.610 52.037 -0.022 0.000 0.635 204 A CB -0.616 18.374 19.000 -0.016 0.000 0.810 204 A HN 0.381 nan 8.150 nan 0.000 0.445 205 A N -0.379 122.431 122.820 -0.017 0.000 2.172 205 A HA 0.147 4.467 4.320 -0.001 0.000 0.216 205 A C 0.975 178.549 177.584 -0.017 0.000 1.154 205 A CA 0.215 52.244 52.037 -0.012 0.000 0.701 205 A CB -0.605 18.391 19.000 -0.005 0.000 0.789 205 A HN 0.477 nan 8.150 nan 0.000 0.465 206 I N 1.147 121.701 120.570 -0.027 0.000 2.576 206 I HA 0.011 4.181 4.170 -0.001 0.000 0.288 206 I C -1.354 174.755 176.117 -0.014 0.000 1.126 206 I CA -1.356 59.928 61.300 -0.026 0.000 1.362 206 I CB 0.834 38.810 38.000 -0.039 0.000 1.419 206 I HN 0.116 nan 8.210 nan 0.000 0.533 207 P HA -0.250 nan 4.420 nan 0.000 0.219 207 P C 1.065 178.365 177.300 0.001 0.000 1.158 207 P CA 1.520 64.617 63.100 -0.004 0.000 0.895 207 P CB 0.211 31.909 31.700 -0.003 0.000 0.792 208 E N -1.779 118.421 120.200 -0.000 0.000 2.268 208 E HA -0.061 4.288 4.350 -0.001 0.000 0.195 208 E C 0.605 177.219 176.600 0.023 0.000 0.995 208 E CA 0.500 56.902 56.400 0.003 0.000 0.836 208 E CB -0.636 29.060 29.700 -0.006 0.000 0.763 208 E HN 0.183 nan 8.360 nan 0.000 0.491 209 M N 0.868 120.480 119.600 0.020 0.000 2.284 209 M HA -0.076 4.404 4.480 -0.001 0.000 0.351 209 M C 1.232 177.573 176.300 0.069 0.000 1.443 209 M CA 0.959 56.281 55.300 0.037 0.000 1.031 209 M CB 0.104 32.708 32.600 0.007 0.000 1.893 209 M HN 0.202 nan 8.290 nan 0.000 0.456 210 H N 2.196 121.275 119.070 0.016 0.000 2.379 210 H HA 0.258 4.814 4.556 -0.001 0.000 0.308 210 H C -0.255 175.095 175.328 0.036 0.000 1.047 210 H CA 0.767 56.839 56.048 0.041 0.000 1.371 210 H CB 0.981 30.797 29.762 0.090 0.000 1.449 210 H HN 0.743 nan 8.280 nan 0.000 0.564 211 E N 0.576 120.794 120.200 0.030 0.000 2.321 211 E HA 0.327 4.677 4.350 -0.001 0.000 0.278 211 E C -1.542 175.047 176.600 -0.018 0.000 0.902 211 E CA -0.539 55.823 56.400 -0.064 0.000 0.758 211 E CB 2.128 31.781 29.700 -0.077 0.000 1.213 211 E HN 0.217 nan 8.360 nan 0.000 0.426 212 L N 3.765 124.965 121.223 -0.039 0.000 2.272 212 L HA 0.467 4.807 4.340 -0.001 0.000 0.289 212 L C -0.402 176.449 176.870 -0.032 0.000 1.032 212 L CA -0.957 53.871 54.840 -0.019 0.000 0.810 212 L CB 1.172 43.217 42.059 -0.023 0.000 1.205 212 L HN 0.391 nan 8.230 nan 0.000 0.422 213 N N 5.521 124.213 118.700 -0.015 0.000 2.437 213 N HA 0.571 5.310 4.740 -0.001 0.000 0.259 213 N C -0.744 174.755 175.510 -0.019 0.000 0.983 213 N CA -0.175 52.858 53.050 -0.030 0.000 0.937 213 N CB 2.124 40.590 38.487 -0.035 0.000 1.122 213 N HN 0.453 nan 8.380 nan 0.000 0.499 214 I N -0.209 120.334 120.570 -0.045 0.000 2.608 214 I HA 0.502 4.671 4.170 -0.001 0.000 0.295 214 I C 0.997 177.074 176.117 -0.067 0.000 1.049 214 I CA -0.734 60.532 61.300 -0.057 0.000 1.063 214 I CB 2.396 40.346 38.000 -0.085 0.000 1.248 214 I HN 0.505 nan 8.210 nan 0.000 0.424 215 G N 1.674 110.434 108.800 -0.066 0.000 2.467 215 G HA2 -0.004 3.955 3.960 -0.001 0.000 0.178 215 G HA3 -0.004 3.955 3.960 -0.001 0.000 0.178 215 G C 1.222 176.126 174.900 0.007 0.000 1.461 215 G CA 0.154 45.215 45.100 -0.066 0.000 0.675 215 G HN 0.696 nan 8.290 nan 0.000 0.659 216 H N 1.169 120.231 119.070 -0.014 0.000 2.292 216 H HA -0.225 4.330 4.556 -0.001 0.000 0.292 216 H C 2.726 178.120 175.328 0.109 0.000 1.100 216 H CA 2.301 58.448 56.048 0.164 0.000 1.238 216 H CB -0.146 29.730 29.762 0.191 0.000 1.355 216 H HN 0.294 nan 8.280 nan 0.000 0.484 217 A N 1.118 123.917 122.820 -0.035 0.000 1.908 217 A HA -0.155 4.165 4.320 -0.001 0.000 0.218 217 A C 2.776 180.391 177.584 0.051 0.000 1.181 217 A CA 1.683 53.701 52.037 -0.032 0.000 0.627 217 A CB -0.779 18.206 19.000 -0.025 0.000 0.818 217 A HN 0.492 nan 8.150 nan 0.000 0.445 218 I N -0.184 120.390 120.570 0.006 0.000 2.202 218 I HA -0.212 3.957 4.170 -0.001 0.000 0.242 218 I C 2.044 178.200 176.117 0.065 0.000 1.091 218 I CA 0.927 62.281 61.300 0.090 0.000 1.368 218 I CB -0.323 37.683 38.000 0.010 0.000 1.058 218 I HN 0.231 nan 8.210 nan 0.000 0.410 219 I N 1.019 121.590 120.570 0.002 0.000 2.394 219 I HA -0.133 4.036 4.170 -0.001 0.000 0.251 219 I C 2.661 178.753 176.117 -0.042 0.000 1.136 219 I CA 1.441 62.742 61.300 0.002 0.000 1.425 219 I CB -2.078 35.951 38.000 0.048 0.000 1.079 219 I HN 0.192 nan 8.210 nan 0.000 0.425 220 G N 0.549 109.266 108.800 -0.139 0.000 2.421 220 G HA2 -0.263 3.697 3.960 -0.001 0.000 0.217 220 G HA3 -0.263 3.697 3.960 -0.001 0.000 0.217 220 G C 1.877 176.749 174.900 -0.047 0.000 1.143 220 G CA 0.615 45.628 45.100 -0.145 0.000 0.784 220 G HN 0.255 nan 8.290 nan 0.000 0.541 221 R N 1.090 121.593 120.500 0.006 0.000 2.093 221 R HA 0.245 4.585 4.340 -0.001 0.000 0.224 221 R C 2.677 178.957 176.300 -0.032 0.000 1.101 221 R CA 1.619 57.698 56.100 -0.035 0.000 0.979 221 R CB -0.845 29.410 30.300 -0.075 0.000 0.877 221 R HN 0.164 nan 8.270 nan 0.000 0.441 222 A N 0.536 123.359 122.820 0.004 0.000 1.940 222 A HA -0.143 4.177 4.320 -0.001 0.000 0.219 222 A C 2.181 179.762 177.584 -0.004 0.000 1.176 222 A CA 1.945 53.985 52.037 0.004 0.000 0.631 222 A CB -1.016 17.997 19.000 0.022 0.000 0.814 222 A HN 0.314 nan 8.150 nan 0.000 0.446 223 V N -3.253 116.658 119.914 -0.006 0.000 2.867 223 V HA -0.220 3.900 4.120 -0.001 0.000 0.260 223 V C 2.096 178.183 176.094 -0.011 0.000 1.099 223 V CA 1.850 64.148 62.300 -0.004 0.000 1.122 223 V CB -0.917 30.906 31.823 -0.001 0.000 0.708 223 V HN 0.431 nan 8.190 nan 0.000 0.490 224 M N 1.782 121.369 119.600 -0.022 0.000 2.384 224 M HA 0.072 4.551 4.480 -0.001 0.000 0.258 224 M C 2.371 178.652 176.300 -0.032 0.000 1.130 224 M CA 2.187 57.470 55.300 -0.028 0.000 1.187 224 M CB -1.386 31.191 32.600 -0.039 0.000 1.307 224 M HN 0.657 nan 8.290 nan 0.000 0.468 225 T N -1.856 112.674 114.554 -0.041 0.000 3.044 225 T HA 0.444 4.793 4.350 -0.001 0.000 0.250 225 T C 0.857 175.542 174.700 -0.025 0.000 1.081 225 T CA 0.544 62.620 62.100 -0.041 0.000 1.040 225 T CB 0.007 68.836 68.868 -0.066 0.000 0.962 225 T HN 0.601 nan 8.240 nan 0.000 0.506 226 G N 0.686 109.477 108.800 -0.015 0.000 2.788 226 G HA2 -0.097 3.862 3.960 -0.001 0.000 0.686 226 G HA3 -0.097 3.862 3.960 -0.001 0.000 0.686 226 G C 0.137 175.042 174.900 0.007 0.000 1.147 226 G CA -0.242 44.857 45.100 -0.002 0.000 0.755 226 G HN 0.272 nan 8.290 nan 0.000 0.634 227 L N 1.040 122.274 121.223 0.018 0.000 2.043 227 L HA -0.121 4.218 4.340 -0.001 0.000 0.212 227 L C 3.032 179.922 176.870 0.032 0.000 1.075 227 L CA 2.763 57.620 54.840 0.029 0.000 0.752 227 L CB -0.270 41.809 42.059 0.034 0.000 0.891 227 L HN 0.881 nan 8.230 nan 0.000 0.432 228 K N -0.187 120.229 120.400 0.026 0.000 2.009 228 K HA -0.236 4.083 4.320 -0.001 0.000 0.210 228 K C 1.617 178.233 176.600 0.025 0.000 1.049 228 K CA 2.079 58.382 56.287 0.026 0.000 0.929 228 K CB -0.067 32.446 32.500 0.021 0.000 0.714 228 K HN 0.334 nan 8.250 nan 0.000 0.440 229 D N 0.209 120.617 120.400 0.014 0.000 2.178 229 D HA -0.106 4.533 4.640 -0.001 0.000 0.202 229 D C 1.743 178.056 176.300 0.023 0.000 0.974 229 D CA 1.124 55.129 54.000 0.007 0.000 0.841 229 D CB -0.157 40.634 40.800 -0.015 0.000 0.953 229 D HN 0.358 nan 8.370 nan 0.000 0.478 230 A N 0.627 123.467 122.820 0.034 0.000 1.877 230 A HA -0.141 4.178 4.320 -0.001 0.000 0.216 230 A C 2.520 180.209 177.584 0.176 0.000 1.186 230 A CA 1.255 53.353 52.037 0.101 0.000 0.620 230 A CB -0.757 18.301 19.000 0.097 0.000 0.822 230 A HN 0.149 nan 8.150 nan 0.000 0.443 231 V N -0.281 119.691 119.914 0.097 0.000 2.358 231 V HA -0.183 3.936 4.120 -0.001 0.000 0.246 231 V C 3.029 179.161 176.094 0.062 0.000 1.047 231 V CA 1.786 64.127 62.300 0.068 0.000 1.035 231 V CB -1.082 30.762 31.823 0.037 0.000 0.658 231 V HN 0.614 nan 8.190 nan 0.000 0.452 232 A N -0.775 122.079 122.820 0.055 0.000 1.933 232 A HA -0.197 4.122 4.320 -0.001 0.000 0.218 232 A C 2.255 179.875 177.584 0.060 0.000 1.175 232 A CA 1.588 53.651 52.037 0.043 0.000 0.628 232 A CB -0.405 18.613 19.000 0.029 0.000 0.814 232 A HN 0.463 nan 8.150 nan 0.000 0.444 233 E N -0.717 119.542 120.200 0.098 0.000 2.031 233 E HA -0.210 4.139 4.350 -0.001 0.000 0.193 233 E C 1.945 178.648 176.600 0.173 0.000 0.994 233 E CA 1.659 58.140 56.400 0.135 0.000 0.800 233 E CB -0.386 29.411 29.700 0.160 0.000 0.752 233 E HN 0.526 nan 8.360 nan 0.000 0.447 234 M N 1.063 120.785 119.600 0.203 0.000 2.108 234 M HA -0.184 4.295 4.480 -0.001 0.000 0.261 234 M C 1.989 178.284 176.300 -0.008 0.000 1.066 234 M CA 1.683 56.989 55.300 0.009 0.000 1.107 234 M CB -0.272 32.243 32.600 -0.141 0.000 1.356 234 M HN -0.149 nan 8.290 nan 0.000 0.406 235 K N -0.231 120.174 120.400 0.008 0.000 2.097 235 K HA -0.132 4.187 4.320 -0.001 0.000 0.206 235 K C 2.202 178.804 176.600 0.002 0.000 1.049 235 K CA 1.660 57.944 56.287 -0.005 0.000 0.933 235 K CB -0.407 32.092 32.500 -0.001 0.000 0.717 235 K HN 0.427 nan 8.250 nan 0.000 0.442 236 R N -0.008 120.503 120.500 0.018 0.000 2.092 236 R HA -0.040 4.299 4.340 -0.001 0.000 0.231 236 R C 2.136 178.445 176.300 0.016 0.000 1.119 236 R CA 1.363 57.474 56.100 0.017 0.000 0.970 236 R CB -0.246 30.068 30.300 0.024 0.000 0.864 236 R HN 0.211 nan 8.270 nan 0.000 0.440 237 L N 0.119 121.356 121.223 0.023 0.000 2.017 237 L HA -0.201 4.138 4.340 -0.001 0.000 0.208 237 L C 2.639 179.511 176.870 0.002 0.000 1.073 237 L CA 1.457 56.307 54.840 0.017 0.000 0.745 237 L CB -0.356 41.716 42.059 0.022 0.000 0.894 237 L HN 0.285 nan 8.230 nan 0.000 0.432 238 M N -0.434 119.160 119.600 -0.010 0.000 2.065 238 M HA -0.252 4.228 4.480 -0.001 0.000 0.259 238 M C 2.289 178.582 176.300 -0.012 0.000 1.069 238 M CA 1.885 57.175 55.300 -0.017 0.000 1.110 238 M CB -0.440 32.141 32.600 -0.030 0.000 1.328 238 M HN 0.201 nan 8.290 nan 0.000 0.405 239 L N -0.453 120.764 121.223 -0.009 0.000 2.083 239 L HA -0.203 4.136 4.340 -0.001 0.000 0.209 239 L C 2.236 179.105 176.870 -0.002 0.000 1.083 239 L CA 1.318 56.154 54.840 -0.007 0.000 0.752 239 L CB -0.900 41.156 42.059 -0.006 0.000 0.899 239 L HN 0.398 nan 8.230 nan 0.000 0.433 240 E N 0.505 120.706 120.200 0.003 0.000 2.077 240 E HA -0.210 4.139 4.350 -0.001 0.000 0.193 240 E C 2.355 178.959 176.600 0.006 0.000 0.989 240 E CA 1.150 57.554 56.400 0.006 0.000 0.800 240 E CB -0.175 29.531 29.700 0.011 0.000 0.746 240 E HN 0.499 nan 8.360 nan 0.000 0.452 241 A N 1.538 124.361 122.820 0.006 0.000 1.940 241 A HA -0.184 4.135 4.320 -0.001 0.000 0.219 241 A C 2.063 179.649 177.584 0.002 0.000 1.176 241 A CA 1.230 53.271 52.037 0.006 0.000 0.631 241 A CB -0.246 18.756 19.000 0.004 0.000 0.814 241 A HN 0.021 nan 8.150 nan 0.000 0.446 242 R N -0.253 120.246 120.500 -0.002 0.000 2.240 242 R HA 0.048 4.387 4.340 -0.001 0.000 0.203 242 R C 1.332 177.631 176.300 -0.001 0.000 1.011 242 R CA 0.627 56.725 56.100 -0.003 0.000 1.007 242 R CB -0.803 29.493 30.300 -0.008 0.000 0.911 242 R HN 0.474 nan 8.270 nan 0.000 0.468 243 G N 0.000 108.801 108.800 0.001 0.000 5.446 243 G HA2 0.000 3.959 3.960 -0.001 0.000 0.244 243 G HA3 0.000 3.959 3.960 -0.001 0.000 0.244 243 G CA 0.000 45.102 45.100 0.002 0.000 0.502 243 G HN 0.000 nan 8.290 nan 0.000 0.925