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 1bkh_1_B DATA FIRST_RESID 4 DATA SEQUENCE ALIERIDAII VDLPTIRPXX XXXXXXQQQT LVVLRVRCSD GVEGIGEATT DATA SEQUENCE IGGLAYGYES PEGIKANIDA HLAPALIGLA ADNINAAMLK LDKLAKGNTF DATA SEQUENCE AKSGIESALL DAQGKRLGLP VSELLGGRVR DSLEVAWTLA SGDTARDIAE DATA SEQUENCE ARHMLEIRRH RVFKLKIGAN PVEQDLKHVV TIKRELGDSA SVRVDVNQYW DATA SEQUENCE DESQAIRACQ VLGDNGIDLI EQPISRINRG GQVRLNQRTP APIMADESIE DATA SEQUENCE SVEDAFSLAA DGAASIFALK IAKNGGPRAV LRTAQIAEAA GIGLYGGTML DATA SEQUENCE EGSIGTLASA HAFLTLRQLT WGTELFGPLL LTEEIVNEPP QYRDFQLHIP DATA SEQUENCE RTPGLGLTLD EQRLARFAR VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 4 A HA 0.000 nan 4.320 nan 0.000 0.244 4 A C 0.000 177.582 177.584 -0.003 0.000 1.274 4 A CA 0.000 52.035 52.037 -0.004 0.000 0.836 4 A CB 0.000 18.997 19.000 -0.005 0.000 0.831 5 L N 2.352 123.573 121.223 -0.003 0.000 2.360 5 L HA 0.553 4.897 4.340 0.006 0.000 0.271 5 L C 0.394 177.263 176.870 -0.002 0.000 1.057 5 L CA -0.498 54.341 54.840 -0.002 0.000 0.803 5 L CB 1.187 43.245 42.059 -0.001 0.000 1.207 5 L HN 0.697 nan 8.230 nan 0.000 0.445 6 I N 2.206 122.775 120.570 -0.001 0.000 2.421 6 I HA 0.034 4.208 4.170 0.006 0.000 0.291 6 I C 1.219 177.336 176.117 -0.000 0.000 1.089 6 I CA 0.121 61.421 61.300 -0.001 0.000 1.354 6 I CB 0.641 38.642 38.000 0.001 0.000 1.413 6 I HN 0.697 nan 8.210 nan 0.000 0.513 7 E N 5.407 125.606 120.200 -0.001 0.000 2.102 7 E HA 0.103 4.457 4.350 0.006 0.000 0.190 7 E C 0.788 177.388 176.600 -0.000 0.000 0.971 7 E CA 0.504 56.903 56.400 -0.001 0.000 0.821 7 E CB 0.543 30.242 29.700 -0.001 0.000 0.777 7 E HN 0.483 nan 8.360 nan 0.000 0.460 8 R N 0.165 120.665 120.500 0.000 0.000 2.680 8 R HA 0.472 4.816 4.340 0.006 0.000 0.269 8 R C -1.855 174.446 176.300 0.002 0.000 1.026 8 R CA -0.449 55.652 56.100 0.001 0.000 0.889 8 R CB 1.432 31.732 30.300 0.000 0.000 1.241 8 R HN -0.061 nan 8.270 nan 0.000 0.463 9 I N 2.951 123.523 120.570 0.003 0.000 2.500 9 I HA 0.278 4.452 4.170 0.006 0.000 0.286 9 I C -1.078 175.043 176.117 0.006 0.000 1.063 9 I CA -0.770 60.534 61.300 0.006 0.000 1.062 9 I CB 2.134 40.139 38.000 0.008 0.000 1.223 9 I HN 0.436 nan 8.210 nan 0.000 0.435 10 D N 5.830 126.235 120.400 0.008 0.000 2.185 10 D HA 0.577 5.221 4.640 0.006 0.000 0.247 10 D C -0.460 175.849 176.300 0.014 0.000 1.027 10 D CA -0.280 53.725 54.000 0.010 0.000 0.861 10 D CB 2.680 43.486 40.800 0.009 0.000 1.202 10 D HN 0.526 nan 8.370 nan 0.000 0.453 11 A N 3.019 125.849 122.820 0.016 0.000 2.323 11 A HA 0.544 4.868 4.320 0.006 0.000 0.305 11 A C -0.377 177.221 177.584 0.022 0.000 1.275 11 A CA -0.616 51.434 52.037 0.021 0.000 0.804 11 A CB 0.089 19.103 19.000 0.022 0.000 1.152 11 A HN 0.504 nan 8.150 nan 0.000 0.487 12 I N 3.665 124.251 120.570 0.027 0.000 2.355 12 I HA 0.324 4.498 4.170 0.006 0.000 0.288 12 I C -0.412 175.727 176.117 0.037 0.000 0.999 12 I CA -0.374 60.945 61.300 0.031 0.000 1.163 12 I CB 1.617 39.637 38.000 0.033 0.000 1.316 12 I HN 0.495 nan 8.210 nan 0.000 0.454 13 I N 6.946 127.538 120.570 0.036 0.000 2.352 13 I HA 0.280 4.454 4.170 0.006 0.000 0.290 13 I C -0.319 175.829 176.117 0.052 0.000 1.036 13 I CA -0.438 60.885 61.300 0.039 0.000 1.336 13 I CB 1.024 39.043 38.000 0.032 0.000 1.407 13 I HN 0.235 nan 8.210 nan 0.000 0.497 14 V N 5.588 125.536 119.914 0.057 0.000 2.604 14 V HA 0.354 4.477 4.120 0.006 0.000 0.305 14 V C -0.509 175.620 176.094 0.059 0.000 1.043 14 V CA -0.801 61.549 62.300 0.082 0.000 0.888 14 V CB 2.273 34.154 31.823 0.096 0.000 0.995 14 V HN 0.593 nan 8.190 nan 0.000 0.429 15 D N 3.956 124.402 120.400 0.077 0.000 2.344 15 D HA 0.511 5.154 4.640 0.006 0.000 0.239 15 D C -1.029 175.237 176.300 -0.056 0.000 1.064 15 D CA -0.313 53.704 54.000 0.028 0.000 0.829 15 D CB 2.482 43.314 40.800 0.053 0.000 1.129 15 D HN 0.125 nan 8.370 nan 0.000 0.506 16 L N 4.496 125.634 121.223 -0.141 0.000 2.341 16 L HA 0.374 4.718 4.340 0.006 0.000 0.278 16 L C -2.254 174.478 176.870 -0.231 0.000 1.005 16 L CA -2.193 52.450 54.840 -0.328 0.000 0.818 16 L CB 1.821 43.718 42.059 -0.269 0.000 1.259 16 L HN 0.085 nan 8.230 nan 0.000 0.418 17 P HA 0.168 nan 4.420 nan 0.000 0.271 17 P C -0.643 176.603 177.300 -0.091 0.000 1.216 17 P CA -0.269 62.754 63.100 -0.129 0.000 0.771 17 P CB 0.513 32.154 31.700 -0.099 0.000 0.864 18 T N -0.349 114.180 114.554 -0.041 0.000 2.902 18 T HA 0.345 4.699 4.350 0.006 0.000 0.280 18 T C 1.655 176.362 174.700 0.011 0.000 0.992 18 T CA -0.850 61.244 62.100 -0.010 0.000 1.015 18 T CB 0.526 69.394 68.868 0.001 0.000 1.044 18 T HN 0.449 nan 8.240 nan 0.000 0.520 19 I N -2.623 117.970 120.570 0.038 0.000 2.830 19 I HA 0.300 4.474 4.170 0.006 0.000 0.263 19 I C 1.006 177.152 176.117 0.048 0.000 1.230 19 I CA 0.077 61.408 61.300 0.053 0.000 1.480 19 I CB -0.720 37.334 38.000 0.091 0.000 1.095 19 I HN 0.781 nan 8.210 nan 0.000 0.455 20 R N 1.867 122.390 120.500 0.038 0.000 2.634 20 R HA 0.598 4.942 4.340 0.006 0.000 0.263 20 R C -3.103 173.205 176.300 0.014 0.000 1.060 20 R CA -1.091 55.026 56.100 0.029 0.000 0.898 20 R CB -0.872 29.450 30.300 0.037 0.000 1.253 20 R HN 0.067 nan 8.270 nan 0.000 0.461 31 Q N -0.525 119.267 119.800 -0.013 0.000 2.416 31 Q HA 0.711 5.054 4.340 0.006 0.000 0.281 31 Q C -1.190 174.794 176.000 -0.028 0.000 1.067 31 Q CA -1.105 54.682 55.803 -0.027 0.000 0.809 31 Q CB 1.859 30.586 28.738 -0.018 0.000 1.418 31 Q HN -0.058 nan 8.270 nan 0.000 0.411 32 Q N 1.011 120.787 119.800 -0.039 0.000 2.322 32 Q HA 0.429 4.773 4.340 0.006 0.000 0.265 32 Q C -1.432 174.552 176.000 -0.027 0.000 0.985 32 Q CA -0.134 55.650 55.803 -0.032 0.000 0.849 32 Q CB 2.331 31.049 28.738 -0.032 0.000 1.274 32 Q HN 0.720 nan 8.270 nan 0.000 0.449 33 T N 5.249 119.795 114.554 -0.013 0.000 2.744 33 T HA 0.573 4.926 4.350 0.006 0.000 0.291 33 T C -0.424 174.282 174.700 0.010 0.000 0.957 33 T CA -0.427 61.673 62.100 0.000 0.000 1.002 33 T CB 0.137 69.007 68.868 0.004 0.000 0.919 33 T HN 0.499 nan 8.240 nan 0.000 0.468 34 L N 2.360 123.593 121.223 0.018 0.000 2.319 34 L HA 0.784 5.128 4.340 0.006 0.000 0.267 34 L C -0.624 176.269 176.870 0.038 0.000 1.011 34 L CA -1.437 53.420 54.840 0.029 0.000 0.818 34 L CB 1.816 43.890 42.059 0.025 0.000 1.316 34 L HN 0.251 nan 8.230 nan 0.000 0.432 35 V N 2.303 122.244 119.914 0.046 0.000 2.326 35 V HA 0.303 4.427 4.120 0.006 0.000 0.281 35 V C -0.005 176.115 176.094 0.044 0.000 1.015 35 V CA -0.554 61.774 62.300 0.046 0.000 0.823 35 V CB 1.765 33.620 31.823 0.054 0.000 1.009 35 V HN 0.431 nan 8.190 nan 0.000 0.436 36 V N 6.719 126.656 119.914 0.039 0.000 2.509 36 V HA 0.476 4.600 4.120 0.006 0.000 0.284 36 V C -0.178 175.933 176.094 0.029 0.000 1.047 36 V CA -0.459 61.862 62.300 0.034 0.000 0.952 36 V CB 1.535 33.381 31.823 0.037 0.000 0.988 36 V HN 0.586 nan 8.190 nan 0.000 0.469 37 L N 5.928 127.165 121.223 0.023 0.000 2.346 37 L HA 0.641 4.985 4.340 0.006 0.000 0.276 37 L C 0.094 176.972 176.870 0.013 0.000 1.006 37 L CA -0.247 54.605 54.840 0.019 0.000 0.817 37 L CB 1.770 43.840 42.059 0.018 0.000 1.272 37 L HN 0.521 nan 8.230 nan 0.000 0.421 38 R N 2.500 123.007 120.500 0.011 0.000 2.409 38 R HA 0.651 4.995 4.340 0.006 0.000 0.313 38 R C -1.469 174.833 176.300 0.004 0.000 0.953 38 R CA -0.747 55.357 56.100 0.007 0.000 0.849 38 R CB 2.099 32.404 30.300 0.009 0.000 1.171 38 R HN 0.276 nan 8.270 nan 0.000 0.458 39 V N 4.507 124.421 119.914 0.001 0.000 2.313 39 V HA 0.343 4.467 4.120 0.006 0.000 0.278 39 V C 0.307 176.399 176.094 -0.002 0.000 1.017 39 V CA -0.713 61.587 62.300 -0.001 0.000 0.823 39 V CB 1.220 33.042 31.823 -0.003 0.000 1.010 39 V HN 0.571 nan 8.190 nan 0.000 0.443 40 R N 2.980 123.480 120.500 -0.001 0.000 2.297 40 R HA 0.567 4.911 4.340 0.006 0.000 0.308 40 R C -0.850 175.448 176.300 -0.003 0.000 1.029 40 R CA -0.316 55.783 56.100 -0.002 0.000 0.929 40 R CB 1.408 31.708 30.300 -0.001 0.000 1.046 40 R HN 0.647 nan 8.270 nan 0.000 0.461 41 C N 0.709 120.006 119.300 -0.004 0.000 2.470 41 C HA 0.224 4.688 4.460 0.006 0.000 0.341 41 C C 2.107 177.095 174.990 -0.003 0.000 1.190 41 C CA -0.648 58.367 59.018 -0.004 0.000 1.904 41 C CB 1.913 29.650 27.740 -0.006 0.000 2.354 41 C HN 0.872 nan 8.230 nan 0.000 0.509 42 S N 1.869 117.567 115.700 -0.003 0.000 2.387 42 S HA -0.194 4.280 4.470 0.006 0.000 0.230 42 S C 1.307 175.905 174.600 -0.003 0.000 1.035 42 S CA 2.218 60.417 58.200 -0.003 0.000 1.014 42 S CB -0.380 62.819 63.200 -0.002 0.000 0.836 42 S HN 0.962 nan 8.310 nan 0.000 0.466 43 D N 0.378 120.776 120.400 -0.004 0.000 2.332 43 D HA 0.202 4.846 4.640 0.006 0.000 0.244 43 D C 1.189 177.487 176.300 -0.004 0.000 1.136 43 D CA 0.672 54.670 54.000 -0.004 0.000 0.884 43 D CB -0.893 39.904 40.800 -0.005 0.000 0.906 43 D HN 0.421 nan 8.370 nan 0.000 0.520 44 G N -0.681 108.117 108.800 -0.004 0.000 2.184 44 G HA2 -0.286 3.677 3.960 0.006 0.000 0.264 44 G HA3 -0.286 3.677 3.960 0.006 0.000 0.264 44 G C 0.231 175.128 174.900 -0.005 0.000 0.975 44 G CA 0.325 45.423 45.100 -0.004 0.000 0.642 44 G HN 0.416 nan 8.290 nan 0.000 0.536 45 V N 0.874 120.785 119.914 -0.006 0.000 2.583 45 V HA 0.567 4.691 4.120 0.006 0.000 0.287 45 V C 0.451 176.540 176.094 -0.008 0.000 1.051 45 V CA 0.076 62.371 62.300 -0.008 0.000 1.010 45 V CB 1.731 33.548 31.823 -0.010 0.000 0.988 45 V HN 0.456 nan 8.190 nan 0.000 0.478 46 E N 2.812 123.007 120.200 -0.008 0.000 2.222 46 E HA 0.675 5.029 4.350 0.006 0.000 0.267 46 E C -0.318 176.275 176.600 -0.011 0.000 0.884 46 E CA -0.600 55.796 56.400 -0.007 0.000 0.764 46 E CB 2.081 31.779 29.700 -0.004 0.000 1.169 46 E HN 0.791 nan 8.360 nan 0.000 0.413 47 G N 3.332 112.125 108.800 -0.012 0.000 2.453 47 G HA2 0.617 4.581 3.960 0.006 0.000 0.323 47 G HA3 0.617 4.581 3.960 0.006 0.000 0.323 47 G C -0.626 174.266 174.900 -0.013 0.000 1.198 47 G CA -0.843 44.246 45.100 -0.018 0.000 0.959 47 G HN 0.599 nan 8.290 nan 0.000 0.482 48 I N -0.545 120.016 120.570 -0.016 0.000 2.545 48 I HA 0.913 5.087 4.170 0.006 0.000 0.292 48 I C 0.101 176.210 176.117 -0.013 0.000 1.040 48 I CA -1.017 60.279 61.300 -0.008 0.000 1.068 48 I CB 2.332 40.332 38.000 -0.001 0.000 1.251 48 I HN 0.679 nan 8.210 nan 0.000 0.424 49 G N 3.646 112.443 108.800 -0.005 0.000 2.818 49 G HA2 0.635 4.598 3.960 0.006 0.000 0.286 49 G HA3 0.635 4.598 3.960 0.006 0.000 0.286 49 G C -1.992 172.910 174.900 0.004 0.000 1.364 49 G CA -0.591 44.504 45.100 -0.009 0.000 0.938 49 G HN 0.838 nan 8.290 nan 0.000 0.490 50 E N -0.928 119.273 120.200 0.002 0.000 2.290 50 E HA 0.573 4.926 4.350 0.006 0.000 0.274 50 E C -1.170 175.448 176.600 0.030 0.000 0.889 50 E CA -1.012 55.398 56.400 0.017 0.000 0.760 50 E CB 2.000 31.706 29.700 0.011 0.000 1.206 50 E HN 0.711 nan 8.360 nan 0.000 0.419 51 A N 3.506 126.365 122.820 0.065 0.000 2.360 51 A HA 0.520 4.844 4.320 0.006 0.000 0.309 51 A C -0.775 176.906 177.584 0.161 0.000 1.311 51 A CA -0.421 51.693 52.037 0.128 0.000 0.805 51 A CB 1.213 20.303 19.000 0.151 0.000 1.144 51 A HN 0.443 nan 8.150 nan 0.000 0.486 52 T N 1.540 116.206 114.554 0.186 0.000 2.841 52 T HA 0.657 5.011 4.350 0.006 0.000 0.283 52 T C 0.121 174.996 174.700 0.291 0.000 1.000 52 T CA -0.218 61.980 62.100 0.164 0.000 0.977 52 T CB 1.671 70.585 68.868 0.075 0.000 0.979 52 T HN 0.665 nan 8.240 nan 0.000 0.446 53 T N 1.785 116.440 114.554 0.168 0.000 2.762 53 T HA 0.801 5.155 4.350 0.006 0.000 0.272 53 T C -1.175 173.543 174.700 0.030 0.000 0.982 53 T CA -0.734 61.450 62.100 0.140 0.000 1.013 53 T CB 0.667 69.429 68.868 -0.177 0.000 1.309 53 T HN 0.462 nan 8.240 nan 0.000 0.572 54 I N 1.074 121.637 120.570 -0.012 0.000 2.465 54 I HA 0.484 4.658 4.170 0.006 0.000 0.291 54 I C 0.814 176.915 176.117 -0.028 0.000 1.014 54 I CA -0.746 60.480 61.300 -0.123 0.000 1.093 54 I CB 1.706 39.449 38.000 -0.429 0.000 1.267 54 I HN 0.959 nan 8.210 nan 0.000 0.431 55 G N 4.897 113.681 108.800 -0.026 0.000 2.334 55 G HA2 -0.035 3.929 3.960 0.006 0.000 0.279 55 G HA3 -0.035 3.929 3.960 0.006 0.000 0.279 55 G C 0.907 175.845 174.900 0.063 0.000 0.918 55 G CA 0.658 45.786 45.100 0.046 0.000 1.314 55 G HN 1.447 nan 8.290 nan 0.000 0.463 56 G N 0.114 108.925 108.800 0.017 0.000 2.646 56 G HA2 -0.319 3.645 3.960 0.006 0.000 0.324 56 G HA3 -0.319 3.645 3.960 0.006 0.000 0.324 56 G C 1.025 175.914 174.900 -0.019 0.000 1.195 56 G CA 0.904 46.004 45.100 -0.001 0.000 0.976 56 G HN 1.479 nan 8.290 nan 0.000 0.546 57 L N 1.753 122.972 121.223 -0.006 0.000 2.857 57 L HA 0.536 4.880 4.340 0.006 0.000 0.249 57 L C 2.670 179.526 176.870 -0.023 0.000 1.172 57 L CA 0.700 55.523 54.840 -0.028 0.000 0.980 57 L CB 0.371 42.421 42.059 -0.015 0.000 1.299 57 L HN 0.626 nan 8.230 nan 0.000 0.535 58 A N -0.511 122.330 122.820 0.035 0.000 2.014 58 A HA -0.087 4.237 4.320 0.006 0.000 0.218 58 A C 1.201 178.634 177.584 -0.252 0.000 1.163 58 A CA 1.304 53.318 52.037 -0.039 0.000 0.652 58 A CB -0.272 18.787 19.000 0.099 0.000 0.808 58 A HN 0.444 nan 8.150 nan 0.000 0.449 59 Y N -0.909 119.334 120.300 -0.095 0.000 2.696 59 Y HA 0.486 5.040 4.550 0.006 0.000 0.260 59 Y C 0.945 176.760 175.900 -0.142 0.000 1.165 59 Y CA -0.162 57.883 58.100 -0.093 0.000 1.189 59 Y CB 0.489 38.927 38.460 -0.036 0.000 1.180 59 Y HN 0.361 nan 8.280 nan 0.000 0.538 60 G N -2.038 106.668 108.800 -0.157 0.000 2.322 60 G HA2 0.117 4.080 3.960 0.006 0.000 0.295 60 G HA3 0.117 4.080 3.960 0.006 0.000 0.295 60 G C -0.947 173.773 174.900 -0.300 0.000 1.369 60 G CA -0.754 44.139 45.100 -0.346 0.000 0.821 60 G HN -0.125 nan 8.290 nan 0.000 0.536 61 Y N 0.146 120.372 120.300 -0.124 0.000 2.475 61 Y HA 0.269 4.822 4.550 0.005 0.000 0.289 61 Y C 1.475 177.285 175.900 -0.150 0.000 1.121 61 Y CA 0.267 58.305 58.100 -0.102 0.000 1.257 61 Y CB 0.207 38.638 38.460 -0.049 0.000 1.026 61 Y HN 0.394 nan 8.280 nan 0.000 0.555 62 E N 0.587 120.684 120.200 -0.172 0.000 2.197 62 E HA 0.392 4.746 4.350 0.006 0.000 0.281 62 E C -0.146 176.291 176.600 -0.272 0.000 0.995 62 E CA -0.467 55.793 56.400 -0.234 0.000 0.808 62 E CB 1.234 30.732 29.700 -0.337 0.000 1.093 62 E HN 0.105 nan 8.360 nan 0.000 0.394 63 S N 1.924 117.543 115.700 -0.136 0.000 2.664 63 S HA 0.417 4.890 4.470 0.006 0.000 0.304 63 S C -2.172 172.387 174.600 -0.067 0.000 1.099 63 S CA -1.535 56.606 58.200 -0.098 0.000 1.003 63 S CB 1.878 65.050 63.200 -0.047 0.000 1.092 63 S HN 0.126 nan 8.310 nan 0.000 0.525 64 P HA -0.044 nan 4.420 nan 0.000 0.215 64 P C 0.908 178.209 177.300 0.001 0.000 1.153 64 P CA 1.238 64.333 63.100 -0.009 0.000 0.853 64 P CB 0.021 31.721 31.700 0.001 0.000 0.788 65 E N -0.622 119.577 120.200 -0.001 0.000 2.047 65 E HA -0.090 4.264 4.350 0.006 0.000 0.191 65 E C 2.312 178.918 176.600 0.009 0.000 0.987 65 E CA 1.597 58.000 56.400 0.006 0.000 0.799 65 E CB -1.419 28.284 29.700 0.005 0.000 0.752 65 E HN 0.203 nan 8.360 nan 0.000 0.449 66 G N 0.567 109.369 108.800 0.003 0.000 2.408 66 G HA2 -0.216 3.748 3.960 0.006 0.000 0.217 66 G HA3 -0.216 3.748 3.960 0.006 0.000 0.217 66 G C 1.625 176.538 174.900 0.023 0.000 1.150 66 G CA 0.667 45.774 45.100 0.012 0.000 0.776 66 G HN 0.149 nan 8.290 nan 0.000 0.542 67 I N 0.272 120.851 120.570 0.015 0.000 2.142 67 I HA -0.175 3.999 4.170 0.006 0.000 0.240 67 I C 2.749 178.892 176.117 0.043 0.000 1.078 67 I CA 1.486 62.808 61.300 0.037 0.000 1.343 67 I CB -0.181 37.843 38.000 0.041 0.000 1.046 67 I HN 0.113 nan 8.210 nan 0.000 0.405 68 K N 1.177 121.596 120.400 0.032 0.000 2.057 68 K HA -0.188 4.136 4.320 0.006 0.000 0.207 68 K C 2.207 178.821 176.600 0.024 0.000 1.049 68 K CA 1.530 57.833 56.287 0.028 0.000 0.931 68 K CB -0.117 32.396 32.500 0.021 0.000 0.714 68 K HN 0.301 nan 8.250 nan 0.000 0.440 69 A N 1.773 124.607 122.820 0.024 0.000 1.940 69 A HA -0.189 4.135 4.320 0.006 0.000 0.219 69 A C 1.828 179.433 177.584 0.035 0.000 1.176 69 A CA 1.723 53.772 52.037 0.020 0.000 0.631 69 A CB -0.514 18.501 19.000 0.026 0.000 0.814 69 A HN 0.378 nan 8.150 nan 0.000 0.446 70 N N -0.193 118.549 118.700 0.071 0.000 2.216 70 N HA -0.005 4.739 4.740 0.006 0.000 0.183 70 N C 1.684 177.255 175.510 0.102 0.000 1.017 70 N CA 1.217 54.347 53.050 0.132 0.000 0.861 70 N CB -0.279 38.285 38.487 0.128 0.000 0.986 70 N HN 0.563 nan 8.380 nan 0.000 0.428 71 I N 1.152 121.759 120.570 0.062 0.000 2.252 71 I HA -0.215 3.959 4.170 0.006 0.000 0.245 71 I C 1.490 177.619 176.117 0.019 0.000 1.102 71 I CA 1.050 62.379 61.300 0.048 0.000 1.385 71 I CB -0.159 37.865 38.000 0.040 0.000 1.064 71 I HN -0.046 nan 8.210 nan 0.000 0.414 72 D N 1.169 121.568 120.400 -0.002 0.000 2.097 72 D HA -0.108 4.535 4.640 0.006 0.000 0.197 72 D C 2.174 178.425 176.300 -0.081 0.000 0.984 72 D CA 1.627 55.610 54.000 -0.029 0.000 0.826 72 D CB -0.083 40.701 40.800 -0.027 0.000 0.973 72 D HN 0.329 nan 8.370 nan 0.000 0.460 73 A N -0.793 121.936 122.820 -0.152 0.000 2.072 73 A HA -0.017 4.307 4.320 0.006 0.000 0.216 73 A C 1.258 178.501 177.584 -0.568 0.000 1.156 73 A CA 1.094 52.903 52.037 -0.380 0.000 0.701 73 A CB -0.200 18.492 19.000 -0.514 0.000 0.816 73 A HN 0.299 nan 8.150 nan 0.000 0.458 74 H N -2.133 116.943 119.070 0.009 0.000 2.089 74 H HA 0.311 4.871 4.556 0.007 0.000 0.206 74 H C 1.737 177.072 175.328 0.011 0.000 0.872 74 H CA 0.116 56.169 56.048 0.009 0.000 0.979 74 H CB 0.130 29.898 29.762 0.010 0.000 1.266 74 H HN 0.174 nan 8.280 nan 0.000 0.389 75 L N 0.627 121.934 121.223 0.141 0.000 2.005 75 L HA -0.033 4.311 4.340 0.006 0.000 0.207 75 L C 2.665 179.566 176.870 0.051 0.000 1.072 75 L CA 1.277 56.167 54.840 0.083 0.000 0.744 75 L CB -0.575 41.528 42.059 0.073 0.000 0.895 75 L HN 0.320 nan 8.230 nan 0.000 0.433 76 A N 0.734 123.576 122.820 0.036 0.000 1.883 76 A HA -0.110 4.213 4.320 0.006 0.000 0.217 76 A C 0.068 177.661 177.584 0.015 0.000 1.186 76 A CA 1.763 53.812 52.037 0.021 0.000 0.624 76 A CB -1.868 17.139 19.000 0.012 0.000 0.822 76 A HN 0.328 nan 8.150 nan 0.000 0.444 77 P HA -0.089 nan 4.420 nan 0.000 0.220 77 P C 1.332 178.642 177.300 0.018 0.000 1.148 77 P CA 1.702 64.807 63.100 0.008 0.000 0.803 77 P CB -0.142 31.556 31.700 -0.003 0.000 0.782 78 A N -0.550 122.287 122.820 0.030 0.000 2.119 78 A HA -0.002 4.322 4.320 0.006 0.000 0.217 78 A C 2.186 179.782 177.584 0.020 0.000 1.153 78 A CA 0.840 52.894 52.037 0.029 0.000 0.692 78 A CB -1.154 17.870 19.000 0.039 0.000 0.799 78 A HN 0.169 nan 8.150 nan 0.000 0.458 79 L N -0.167 121.067 121.223 0.018 0.000 2.515 79 L HA 0.175 4.519 4.340 0.006 0.000 0.223 79 L C -0.108 176.767 176.870 0.009 0.000 1.079 79 L CA -0.366 54.482 54.840 0.013 0.000 0.857 79 L CB -0.040 42.027 42.059 0.013 0.000 1.050 79 L HN 0.166 nan 8.230 nan 0.000 0.476 80 I N 1.683 122.258 120.570 0.008 0.000 2.664 80 I HA 0.052 4.226 4.170 0.006 0.000 0.284 80 I C 1.391 177.511 176.117 0.004 0.000 1.154 80 I CA 1.195 62.498 61.300 0.005 0.000 1.402 80 I CB -0.381 37.620 38.000 0.003 0.000 1.395 80 I HN 0.395 nan 8.210 nan 0.000 0.545 81 G N 5.623 114.425 108.800 0.003 0.000 2.238 81 G HA2 -0.185 3.779 3.960 0.006 0.000 0.217 81 G HA3 -0.185 3.779 3.960 0.006 0.000 0.217 81 G C 0.288 175.190 174.900 0.002 0.000 0.996 81 G CA -0.529 44.573 45.100 0.002 0.000 0.632 81 G HN 0.442 nan 8.290 nan 0.000 0.503 82 L N 1.565 122.789 121.223 0.003 0.000 2.453 82 L HA 0.609 4.953 4.340 0.006 0.000 0.261 82 L C 1.407 178.277 176.870 0.001 0.000 1.179 82 L CA -0.226 54.616 54.840 0.002 0.000 0.813 82 L CB 0.840 42.902 42.059 0.004 0.000 1.110 82 L HN 0.376 nan 8.230 nan 0.000 0.466 83 A N 1.420 124.241 122.820 0.000 0.000 2.488 83 A HA 0.358 4.681 4.320 0.006 0.000 0.249 83 A C 0.992 178.575 177.584 -0.002 0.000 1.083 83 A CA 0.363 52.399 52.037 -0.001 0.000 0.768 83 A CB 0.547 19.546 19.000 -0.001 0.000 1.017 83 A HN 0.935 nan 8.150 nan 0.000 0.496 84 A N 2.132 124.950 122.820 -0.004 0.000 2.014 84 A HA -0.048 4.275 4.320 0.006 0.000 0.218 84 A C 1.450 179.030 177.584 -0.007 0.000 1.163 84 A CA 1.558 53.592 52.037 -0.005 0.000 0.652 84 A CB -0.341 18.655 19.000 -0.006 0.000 0.808 84 A HN 0.865 nan 8.150 nan 0.000 0.449 85 D N -0.739 119.657 120.400 -0.007 0.000 2.355 85 D HA -0.058 4.586 4.640 0.006 0.000 0.218 85 D C 0.350 176.646 176.300 -0.006 0.000 1.004 85 D CA 0.209 54.204 54.000 -0.008 0.000 0.880 85 D CB -0.483 40.313 40.800 -0.007 0.000 0.911 85 D HN 0.236 nan 8.370 nan 0.000 0.528 86 N N 0.892 119.589 118.700 -0.005 0.000 2.955 86 N HA 0.180 4.923 4.740 0.006 0.000 0.242 86 N C 0.814 176.322 175.510 -0.003 0.000 1.123 86 N CA -0.310 52.738 53.050 -0.003 0.000 0.949 86 N CB 0.122 38.608 38.487 -0.002 0.000 1.214 86 N HN 0.085 nan 8.380 nan 0.000 0.504 87 I N 0.912 121.479 120.570 -0.005 0.000 2.252 87 I HA -0.226 3.947 4.170 0.006 0.000 0.245 87 I C 2.283 178.398 176.117 -0.002 0.000 1.102 87 I CA 0.688 61.985 61.300 -0.005 0.000 1.385 87 I CB -0.144 37.850 38.000 -0.010 0.000 1.064 87 I HN 0.560 nan 8.210 nan 0.000 0.414 88 N N 1.256 119.955 118.700 -0.001 0.000 2.069 88 N HA -0.224 4.520 4.740 0.006 0.000 0.191 88 N C 2.004 177.515 175.510 0.002 0.000 1.031 88 N CA 1.543 54.594 53.050 0.001 0.000 0.852 88 N CB 0.042 38.529 38.487 0.001 0.000 1.018 88 N HN 0.338 nan 8.380 nan 0.000 0.423 89 A N 0.938 123.758 122.820 0.001 0.000 1.902 89 A HA -0.001 4.323 4.320 0.006 0.000 0.217 89 A C 2.397 179.983 177.584 0.003 0.000 1.181 89 A CA 1.748 53.787 52.037 0.002 0.000 0.623 89 A CB -0.967 18.034 19.000 0.001 0.000 0.818 89 A HN 0.517 nan 8.150 nan 0.000 0.443 90 A N -0.723 122.098 122.820 0.003 0.000 1.883 90 A HA -0.157 4.167 4.320 0.006 0.000 0.217 90 A C 2.155 179.743 177.584 0.007 0.000 1.186 90 A CA 2.184 54.224 52.037 0.005 0.000 0.624 90 A CB -0.497 18.505 19.000 0.003 0.000 0.822 90 A HN 0.425 nan 8.150 nan 0.000 0.444 91 M N -1.101 118.502 119.600 0.006 0.000 2.175 91 M HA -0.013 4.471 4.480 0.006 0.000 0.264 91 M C 1.940 178.245 176.300 0.009 0.000 1.063 91 M CA 0.939 56.244 55.300 0.008 0.000 1.119 91 M CB -1.425 31.178 32.600 0.005 0.000 1.377 91 M HN 0.293 nan 8.290 nan 0.000 0.415 92 L N 0.439 121.666 121.223 0.006 0.000 2.083 92 L HA -0.133 4.211 4.340 0.006 0.000 0.209 92 L C 2.395 179.269 176.870 0.006 0.000 1.083 92 L CA 1.703 56.547 54.840 0.006 0.000 0.752 92 L CB -1.118 40.943 42.059 0.003 0.000 0.899 92 L HN 0.330 nan 8.230 nan 0.000 0.433 93 K N -0.605 119.800 120.400 0.008 0.000 2.057 93 K HA -0.154 4.170 4.320 0.006 0.000 0.207 93 K C 2.118 178.725 176.600 0.012 0.000 1.049 93 K CA 1.190 57.483 56.287 0.009 0.000 0.931 93 K CB -0.072 32.434 32.500 0.010 0.000 0.714 93 K HN 0.264 nan 8.250 nan 0.000 0.440 94 L N 0.873 122.105 121.223 0.015 0.000 2.083 94 L HA -0.212 4.131 4.340 0.006 0.000 0.209 94 L C 1.980 178.860 176.870 0.016 0.000 1.083 94 L CA 1.093 55.945 54.840 0.020 0.000 0.752 94 L CB -0.458 41.616 42.059 0.024 0.000 0.899 94 L HN 0.195 nan 8.230 nan 0.000 0.433 95 D N 0.078 120.486 120.400 0.013 0.000 2.144 95 D HA -0.183 4.461 4.640 0.006 0.000 0.199 95 D C 2.155 178.458 176.300 0.005 0.000 0.984 95 D CA 1.098 55.105 54.000 0.011 0.000 0.834 95 D CB 0.006 40.812 40.800 0.009 0.000 0.955 95 D HN 0.194 nan 8.370 nan 0.000 0.465 96 K N 0.130 120.533 120.400 0.004 0.000 2.097 96 K HA -0.061 4.262 4.320 0.006 0.000 0.205 96 K C 1.938 178.536 176.600 -0.003 0.000 1.050 96 K CA 0.425 56.712 56.287 -0.000 0.000 0.938 96 K CB 0.102 32.603 32.500 0.001 0.000 0.718 96 K HN 0.053 nan 8.250 nan 0.000 0.442 97 L N 0.180 121.404 121.223 0.001 0.000 2.131 97 L HA 0.076 4.420 4.340 0.006 0.000 0.206 97 L C 0.655 177.514 176.870 -0.019 0.000 1.087 97 L CA 0.885 55.723 54.840 -0.003 0.000 0.767 97 L CB -0.341 41.726 42.059 0.013 0.000 0.917 97 L HN 0.101 nan 8.230 nan 0.000 0.441 98 A N -0.391 122.422 122.820 -0.011 0.000 2.427 98 A HA 0.515 4.839 4.320 0.006 0.000 0.298 98 A C -0.603 176.977 177.584 -0.006 0.000 1.036 98 A CA -0.648 51.377 52.037 -0.020 0.000 0.701 98 A CB 1.281 20.274 19.000 -0.012 0.000 1.250 98 A HN -0.071 nan 8.150 nan 0.000 0.412 99 K N 1.181 121.572 120.400 -0.015 0.000 2.270 99 K HA 0.584 4.908 4.320 0.006 0.000 0.276 99 K C 1.208 177.817 176.600 0.014 0.000 1.023 99 K CA 1.688 57.972 56.287 -0.005 0.000 0.955 99 K CB 0.777 33.264 32.500 -0.021 0.000 0.975 99 K HN 1.827 nan 8.250 nan 0.000 0.471 100 G N 2.989 111.812 108.800 0.039 0.000 2.583 100 G HA2 -0.388 3.576 3.960 0.006 0.000 0.292 100 G HA3 -0.388 3.576 3.960 0.006 0.000 0.292 100 G C -0.455 174.504 174.900 0.100 0.000 1.203 100 G CA 0.164 45.313 45.100 0.082 0.000 0.987 100 G HN 0.820 nan 8.290 nan 0.000 0.554 101 N N 0.125 118.907 118.700 0.137 0.000 2.727 101 N HA -0.250 4.493 4.740 0.006 0.000 0.249 101 N C 1.544 177.158 175.510 0.173 0.000 1.048 101 N CA 2.024 55.164 53.050 0.151 0.000 0.714 101 N CB -1.381 37.164 38.487 0.096 0.000 0.959 101 N HN 1.568 nan 8.380 nan 0.000 0.544 102 T N -3.550 111.130 114.554 0.210 0.000 2.833 102 T HA -0.110 4.243 4.350 0.006 0.000 0.269 102 T C 1.567 176.341 174.700 0.124 0.000 1.054 102 T CA 0.925 63.105 62.100 0.134 0.000 1.135 102 T CB -0.266 68.648 68.868 0.077 0.000 0.869 102 T HN 0.225 nan 8.240 nan 0.000 0.466 103 F N 2.417 122.384 119.950 0.029 0.000 2.113 103 F HA 0.237 4.767 4.527 0.006 0.000 0.297 103 F C 3.007 178.819 175.800 0.019 0.000 1.103 103 F CA 0.651 58.663 58.000 0.019 0.000 1.248 103 F CB -1.149 37.863 39.000 0.020 0.000 0.999 103 F HN 0.260 nan 8.300 nan 0.000 0.475 104 A N 0.092 123.048 122.820 0.228 0.000 1.902 104 A HA -0.217 4.107 4.320 0.006 0.000 0.217 104 A C 2.213 179.848 177.584 0.085 0.000 1.181 104 A CA 1.802 53.917 52.037 0.130 0.000 0.623 104 A CB -0.668 18.397 19.000 0.108 0.000 0.818 104 A HN 0.357 nan 8.150 nan 0.000 0.443 105 K N -0.508 119.938 120.400 0.077 0.000 2.097 105 K HA -0.097 4.227 4.320 0.006 0.000 0.206 105 K C 2.408 179.018 176.600 0.017 0.000 1.049 105 K CA 1.309 57.621 56.287 0.042 0.000 0.933 105 K CB -0.246 32.277 32.500 0.039 0.000 0.717 105 K HN 0.423 nan 8.250 nan 0.000 0.442 106 S N 0.334 116.036 115.700 0.003 0.000 2.368 106 S HA -0.111 4.363 4.470 0.006 0.000 0.225 106 S C 2.088 176.675 174.600 -0.021 0.000 1.030 106 S CA 1.485 59.663 58.200 -0.037 0.000 0.999 106 S CB -0.495 62.642 63.200 -0.104 0.000 0.844 106 S HN 0.499 nan 8.310 nan 0.000 0.459 107 G N 1.330 110.136 108.800 0.010 0.000 2.421 107 G HA2 -0.124 3.840 3.960 0.006 0.000 0.216 107 G HA3 -0.124 3.840 3.960 0.006 0.000 0.216 107 G C 1.404 176.307 174.900 0.006 0.000 1.171 107 G CA 0.941 46.049 45.100 0.014 0.000 0.775 107 G HN 0.563 nan 8.290 nan 0.000 0.543 108 I N 0.286 120.864 120.570 0.013 0.000 2.202 108 I HA -0.119 4.055 4.170 0.006 0.000 0.242 108 I C 2.662 178.776 176.117 -0.005 0.000 1.091 108 I CA 1.419 62.724 61.300 0.008 0.000 1.368 108 I CB -0.199 37.811 38.000 0.017 0.000 1.058 108 I HN 0.273 nan 8.210 nan 0.000 0.410 109 E N 0.702 120.897 120.200 -0.009 0.000 2.110 109 E HA -0.196 4.158 4.350 0.006 0.000 0.193 109 E C 2.235 178.817 176.600 -0.031 0.000 0.988 109 E CA 1.497 57.886 56.400 -0.018 0.000 0.804 109 E CB 0.137 29.826 29.700 -0.019 0.000 0.745 109 E HN 0.378 nan 8.360 nan 0.000 0.458 110 S N 0.483 116.161 115.700 -0.037 0.000 2.356 110 S HA -0.179 4.295 4.470 0.006 0.000 0.223 110 S C 2.065 176.636 174.600 -0.048 0.000 1.032 110 S CA 1.050 59.219 58.200 -0.051 0.000 1.005 110 S CB -0.304 62.865 63.200 -0.051 0.000 0.867 110 S HN 0.486 nan 8.310 nan 0.000 0.449 111 A N 1.484 124.286 122.820 -0.031 0.000 1.908 111 A HA -0.057 4.267 4.320 0.006 0.000 0.218 111 A C 2.047 179.614 177.584 -0.029 0.000 1.181 111 A CA 1.233 53.254 52.037 -0.026 0.000 0.627 111 A CB -0.703 18.290 19.000 -0.012 0.000 0.818 111 A HN 0.363 nan 8.150 nan 0.000 0.445 112 L N -0.539 120.669 121.223 -0.025 0.000 2.046 112 L HA -0.100 4.244 4.340 0.006 0.000 0.208 112 L C 2.476 179.326 176.870 -0.034 0.000 1.077 112 L CA 1.464 56.290 54.840 -0.024 0.000 0.747 112 L CB -1.091 40.957 42.059 -0.017 0.000 0.896 112 L HN 0.381 nan 8.230 nan 0.000 0.432 113 L N -1.015 120.181 121.223 -0.046 0.000 2.093 113 L HA -0.206 4.138 4.340 0.006 0.000 0.208 113 L C 2.214 179.036 176.870 -0.080 0.000 1.085 113 L CA 1.160 55.963 54.840 -0.062 0.000 0.755 113 L CB -0.399 41.615 42.059 -0.074 0.000 0.904 113 L HN 0.273 nan 8.230 nan 0.000 0.435 114 D N 0.110 120.461 120.400 -0.082 0.000 2.084 114 D HA -0.203 4.441 4.640 0.006 0.000 0.194 114 D C 2.184 178.447 176.300 -0.062 0.000 0.990 114 D CA 1.537 55.485 54.000 -0.087 0.000 0.826 114 D CB 0.095 40.853 40.800 -0.070 0.000 0.971 114 D HN 0.222 nan 8.370 nan 0.000 0.453 115 A N -0.166 122.628 122.820 -0.044 0.000 1.902 115 A HA -0.220 4.104 4.320 0.006 0.000 0.217 115 A C 2.201 179.766 177.584 -0.031 0.000 1.181 115 A CA 2.050 54.068 52.037 -0.031 0.000 0.623 115 A CB -0.941 18.045 19.000 -0.023 0.000 0.818 115 A HN 0.337 nan 8.150 nan 0.000 0.443 116 Q N -0.033 119.747 119.800 -0.035 0.000 2.170 116 Q HA -0.018 4.326 4.340 0.006 0.000 0.203 116 Q C 1.872 177.851 176.000 -0.035 0.000 0.976 116 Q CA 2.065 57.850 55.803 -0.031 0.000 0.858 116 Q CB -0.918 27.802 28.738 -0.030 0.000 0.907 116 Q HN 0.494 nan 8.270 nan 0.000 0.433 117 G N 0.100 108.870 108.800 -0.050 0.000 2.394 117 G HA2 -0.202 3.762 3.960 0.006 0.000 0.215 117 G HA3 -0.202 3.762 3.960 0.006 0.000 0.215 117 G C 1.297 176.173 174.900 -0.040 0.000 1.165 117 G CA 0.620 45.688 45.100 -0.054 0.000 0.784 117 G HN 0.343 nan 8.290 nan 0.000 0.535 118 K N -0.002 120.375 120.400 -0.039 0.000 2.026 118 K HA -0.051 4.272 4.320 0.006 0.000 0.208 118 K C 2.534 179.122 176.600 -0.020 0.000 1.048 118 K CA 1.074 57.345 56.287 -0.027 0.000 0.929 118 K CB -0.182 32.303 32.500 -0.025 0.000 0.713 118 K HN 0.171 nan 8.250 nan 0.000 0.439 119 R N 0.717 121.206 120.500 -0.020 0.000 2.096 119 R HA -0.173 4.170 4.340 0.006 0.000 0.240 119 R C 1.556 177.848 176.300 -0.013 0.000 1.139 119 R CA 1.497 57.588 56.100 -0.015 0.000 0.952 119 R CB -0.069 30.223 30.300 -0.015 0.000 0.854 119 R HN 0.050 nan 8.270 nan 0.000 0.436 120 L N -0.311 120.903 121.223 -0.015 0.000 2.567 120 L HA 0.287 4.631 4.340 0.006 0.000 0.225 120 L C 1.067 177.931 176.870 -0.010 0.000 1.119 120 L CA 1.302 56.135 54.840 -0.012 0.000 0.871 120 L CB 0.070 42.122 42.059 -0.012 0.000 1.036 120 L HN 0.534 nan 8.230 nan 0.000 0.459 121 G N 0.366 109.159 108.800 -0.013 0.000 2.225 121 G HA2 -0.258 3.706 3.960 0.006 0.000 0.264 121 G HA3 -0.258 3.706 3.960 0.006 0.000 0.264 121 G C -0.073 174.822 174.900 -0.008 0.000 1.060 121 G CA 0.346 45.440 45.100 -0.010 0.000 0.833 121 G HN 0.266 nan 8.290 nan 0.000 0.498 122 L N 0.284 121.499 121.223 -0.014 0.000 2.388 122 L HA 0.594 4.938 4.340 0.006 0.000 0.264 122 L C -2.059 174.799 176.870 -0.021 0.000 0.998 122 L CA -2.656 52.178 54.840 -0.009 0.000 0.817 122 L CB 2.859 44.912 42.059 -0.009 0.000 1.338 122 L HN -0.093 nan 8.230 nan 0.000 0.414 123 P HA 0.055 nan 4.420 nan 0.000 0.275 123 P C 0.859 178.125 177.300 -0.056 0.000 1.228 123 P CA -0.289 62.808 63.100 -0.004 0.000 0.786 123 P CB 1.429 33.198 31.700 0.116 0.000 0.927 124 V N 2.238 122.003 119.914 -0.248 0.000 2.453 124 V HA -0.271 3.853 4.120 0.006 0.000 0.252 124 V C 2.635 178.716 176.094 -0.022 0.000 1.068 124 V CA 2.834 65.005 62.300 -0.215 0.000 1.070 124 V CB -1.660 29.914 31.823 -0.416 0.000 0.664 124 V HN 0.722 nan 8.190 nan 0.000 0.461 125 S N -0.797 115.008 115.700 0.174 0.000 2.419 125 S HA -0.226 4.247 4.470 0.006 0.000 0.233 125 S C 1.879 176.523 174.600 0.074 0.000 1.016 125 S CA 1.406 59.703 58.200 0.163 0.000 0.974 125 S CB -0.316 62.997 63.200 0.189 0.000 0.786 125 S HN 0.645 nan 8.310 nan 0.000 0.492 126 E N 0.868 121.101 120.200 0.055 0.000 2.112 126 E HA 0.035 4.389 4.350 0.006 0.000 0.190 126 E C 1.842 178.450 176.600 0.013 0.000 0.979 126 E CA 0.576 56.993 56.400 0.029 0.000 0.814 126 E CB -0.204 29.509 29.700 0.021 0.000 0.762 126 E HN 0.425 nan 8.360 nan 0.000 0.460 127 L N 0.528 121.751 121.223 0.000 0.000 2.131 127 L HA -0.139 4.205 4.340 0.006 0.000 0.210 127 L C 2.285 179.155 176.870 0.000 0.000 1.092 127 L CA 1.172 56.007 54.840 -0.008 0.000 0.759 127 L CB -0.543 41.499 42.059 -0.028 0.000 0.903 127 L HN 0.118 nan 8.230 nan 0.000 0.435 128 L N -1.752 119.477 121.223 0.009 0.000 2.599 128 L HA 0.219 4.562 4.340 0.006 0.000 0.230 128 L C 1.572 178.457 176.870 0.024 0.000 1.141 128 L CA 0.698 55.548 54.840 0.017 0.000 0.877 128 L CB -0.335 41.739 42.059 0.025 0.000 1.009 128 L HN 0.480 nan 8.230 nan 0.000 0.447 129 G N -0.951 107.862 108.800 0.022 0.000 2.705 129 G HA2 0.071 4.035 3.960 0.006 0.000 0.193 129 G HA3 0.071 4.035 3.960 0.006 0.000 0.193 129 G C 0.468 175.382 174.900 0.023 0.000 1.015 129 G CA -0.319 44.794 45.100 0.022 0.000 0.743 129 G HN 0.658 nan 8.290 nan 0.000 0.476 130 G N -0.046 108.771 108.800 0.029 0.000 2.931 130 G HA2 0.496 4.460 3.960 0.006 0.000 0.675 130 G HA3 0.496 4.460 3.960 0.006 0.000 0.675 130 G C -0.285 174.631 174.900 0.028 0.000 1.339 130 G CA 0.337 45.453 45.100 0.027 0.000 0.866 130 G HN 1.395 nan 8.290 nan 0.000 0.616 131 R N 0.199 120.715 120.500 0.026 0.000 2.582 131 R HA 0.645 4.989 4.340 0.006 0.000 0.271 131 R C 1.000 177.307 176.300 0.012 0.000 1.078 131 R CA -0.108 56.003 56.100 0.018 0.000 1.127 131 R CB 1.254 31.558 30.300 0.006 0.000 1.038 131 R HN 1.284 nan 8.270 nan 0.000 0.500 132 V N -1.578 118.342 119.914 0.010 0.000 3.477 132 V HA 0.293 4.416 4.120 0.006 0.000 0.297 132 V C 0.145 176.239 176.094 -0.000 0.000 1.433 132 V CA -0.089 62.215 62.300 0.006 0.000 1.052 132 V CB -1.233 30.594 31.823 0.008 0.000 0.895 132 V HN 0.955 nan 8.190 nan 0.000 0.438 133 R N -1.644 118.854 120.500 -0.005 0.000 2.712 133 R HA 0.476 4.819 4.340 0.006 0.000 0.272 133 R C -1.212 175.074 176.300 -0.024 0.000 1.032 133 R CA -0.414 55.678 56.100 -0.013 0.000 0.874 133 R CB 0.914 31.204 30.300 -0.016 0.000 1.256 133 R HN -0.030 nan 8.270 nan 0.000 0.468 134 D N 0.185 120.568 120.400 -0.028 0.000 2.441 134 D HA 0.102 4.746 4.640 0.006 0.000 0.210 134 D C -0.400 175.855 176.300 -0.074 0.000 1.102 134 D CA 0.558 54.535 54.000 -0.038 0.000 0.840 134 D CB 1.072 41.872 40.800 -0.001 0.000 0.990 134 D HN 0.564 nan 8.370 nan 0.000 0.505 135 S N 0.080 115.717 115.700 -0.104 0.000 2.564 135 S HA 0.678 5.152 4.470 0.006 0.000 0.274 135 S C -0.899 173.614 174.600 -0.145 0.000 1.124 135 S CA -0.845 57.225 58.200 -0.216 0.000 0.869 135 S CB 2.194 65.141 63.200 -0.422 0.000 1.105 135 S HN -0.008 nan 8.310 nan 0.000 0.472 136 L N 1.335 122.474 121.223 -0.140 0.000 2.362 136 L HA 0.631 4.974 4.340 0.006 0.000 0.271 136 L C -0.107 176.753 176.870 -0.016 0.000 1.002 136 L CA -0.853 53.960 54.840 -0.045 0.000 0.818 136 L CB 1.787 43.856 42.059 0.017 0.000 1.298 136 L HN 0.786 nan 8.230 nan 0.000 0.420 137 E N 1.600 121.813 120.200 0.020 0.000 2.384 137 E HA 0.272 4.626 4.350 0.006 0.000 0.266 137 E C -1.269 175.412 176.600 0.135 0.000 1.012 137 E CA -0.012 56.432 56.400 0.073 0.000 0.901 137 E CB 0.993 30.724 29.700 0.052 0.000 0.967 137 E HN 0.273 nan 8.360 nan 0.000 0.435 138 V N 4.421 124.471 119.914 0.228 0.000 2.407 138 V HA 0.611 4.735 4.120 0.006 0.000 0.291 138 V C 0.279 176.619 176.094 0.409 0.000 1.018 138 V CA -0.521 61.990 62.300 0.350 0.000 0.842 138 V CB 1.094 33.223 31.823 0.510 0.000 0.996 138 V HN 0.901 nan 8.190 nan 0.000 0.426 139 A N 5.241 128.250 122.820 0.316 0.000 2.280 139 A HA 0.675 4.999 4.320 0.006 0.000 0.268 139 A C -0.586 177.045 177.584 0.079 0.000 1.111 139 A CA -0.427 51.723 52.037 0.188 0.000 0.814 139 A CB 0.813 19.964 19.000 0.251 0.000 1.093 139 A HN 0.995 nan 8.150 nan 0.000 0.498 140 W N 0.442 121.473 121.300 -0.448 0.000 3.097 140 W HA 0.388 5.052 4.660 0.006 0.000 0.335 140 W C -1.461 174.816 176.519 -0.404 0.000 1.114 140 W CA -0.380 56.491 57.345 -0.790 0.000 1.231 140 W CB 1.857 30.748 29.460 -0.948 0.000 1.388 140 W HN 0.640 nan 8.180 nan 0.000 0.485 141 T N 6.275 120.111 114.554 -1.196 0.000 2.749 141 T HA 0.312 4.666 4.350 0.006 0.000 0.295 141 T C 0.250 174.440 174.700 -0.850 0.000 0.936 141 T CA -0.178 61.478 62.100 -0.739 0.000 1.060 141 T CB 0.669 69.221 68.868 -0.528 0.000 0.904 141 T HN 0.223 nan 8.240 nan 0.000 0.500 142 L N 3.215 124.243 121.223 -0.325 0.000 2.295 142 L HA 0.386 4.730 4.340 0.006 0.000 0.288 142 L C 1.108 177.892 176.870 -0.143 0.000 1.079 142 L CA -0.514 54.228 54.840 -0.163 0.000 0.830 142 L CB 0.451 42.495 42.059 -0.025 0.000 1.200 142 L HN 0.782 nan 8.230 nan 0.000 0.438 143 A N 1.391 124.105 122.820 -0.176 0.000 2.465 143 A HA 0.066 4.390 4.320 0.006 0.000 0.255 143 A C 1.838 179.393 177.584 -0.049 0.000 1.274 143 A CA 0.408 52.375 52.037 -0.117 0.000 0.920 143 A CB 0.024 18.921 19.000 -0.172 0.000 1.033 143 A HN 0.732 nan 8.150 nan 0.000 0.516 144 S N -1.150 114.544 115.700 -0.011 0.000 2.436 144 S HA 0.271 4.745 4.470 0.006 0.000 0.228 144 S C 1.725 176.311 174.600 -0.023 0.000 1.014 144 S CA 1.451 59.650 58.200 -0.002 0.000 0.950 144 S CB -0.354 62.859 63.200 0.021 0.000 0.784 144 S HN 1.820 nan 8.310 nan 0.000 0.504 145 G N 0.939 109.726 108.800 -0.023 0.000 2.205 145 G HA2 -0.246 3.718 3.960 0.006 0.000 0.261 145 G HA3 -0.246 3.718 3.960 0.006 0.000 0.261 145 G C -0.187 174.597 174.900 -0.192 0.000 0.980 145 G CA 0.372 45.386 45.100 -0.143 0.000 0.632 145 G HN 0.668 nan 8.290 nan 0.000 0.533 146 D N 0.597 120.971 120.400 -0.044 0.000 2.373 146 D HA 0.492 5.136 4.640 0.006 0.000 0.227 146 D C 1.687 178.042 176.300 0.093 0.000 1.091 146 D CA 0.337 54.329 54.000 -0.013 0.000 0.840 146 D CB 0.911 41.710 40.800 -0.002 0.000 1.060 146 D HN 0.048 nan 8.370 nan 0.000 0.502 147 T N 2.831 117.471 114.554 0.144 0.000 2.607 147 T HA -0.207 4.147 4.350 0.006 0.000 0.267 147 T C 1.838 176.587 174.700 0.081 0.000 1.049 147 T CA 1.871 64.099 62.100 0.213 0.000 1.162 147 T CB -0.094 68.905 68.868 0.218 0.000 0.863 147 T HN 0.591 nan 8.240 nan 0.000 0.424 148 A N 1.190 124.039 122.820 0.049 0.000 1.933 148 A HA -0.097 4.227 4.320 0.006 0.000 0.218 148 A C 2.388 179.981 177.584 0.016 0.000 1.175 148 A CA 1.685 53.735 52.037 0.021 0.000 0.628 148 A CB -0.528 18.480 19.000 0.015 0.000 0.814 148 A HN 0.387 nan 8.150 nan 0.000 0.444 149 R N -0.454 120.061 120.500 0.025 0.000 2.075 149 R HA -0.090 4.254 4.340 0.006 0.000 0.232 149 R C 1.653 177.968 176.300 0.026 0.000 1.126 149 R CA 1.472 57.586 56.100 0.022 0.000 0.963 149 R CB -0.225 30.089 30.300 0.023 0.000 0.858 149 R HN 0.472 nan 8.270 nan 0.000 0.435 150 D N 0.393 120.815 120.400 0.036 0.000 2.097 150 D HA -0.152 4.492 4.640 0.006 0.000 0.195 150 D C 1.852 178.119 176.300 -0.055 0.000 0.989 150 D CA 1.224 55.232 54.000 0.014 0.000 0.827 150 D CB -0.126 40.696 40.800 0.037 0.000 0.966 150 D HN 0.215 nan 8.370 nan 0.000 0.456 151 I N 1.136 121.672 120.570 -0.058 0.000 2.208 151 I HA -0.267 3.907 4.170 0.006 0.000 0.245 151 I C 2.455 178.528 176.117 -0.074 0.000 1.097 151 I CA 1.054 62.299 61.300 -0.093 0.000 1.363 151 I CB -0.175 37.791 38.000 -0.057 0.000 1.051 151 I HN -0.073 nan 8.210 nan 0.000 0.413 152 A N 0.168 122.971 122.820 -0.028 0.000 1.898 152 A HA -0.253 4.071 4.320 0.006 0.000 0.216 152 A C 2.308 179.906 177.584 0.023 0.000 1.181 152 A CA 1.837 53.872 52.037 -0.003 0.000 0.620 152 A CB -0.581 18.420 19.000 0.003 0.000 0.819 152 A HN 0.492 nan 8.150 nan 0.000 0.442 153 E N -0.094 120.122 120.200 0.027 0.000 2.051 153 E HA -0.114 4.240 4.350 0.006 0.000 0.192 153 E C 2.127 178.755 176.600 0.048 0.000 0.991 153 E CA 1.061 57.518 56.400 0.095 0.000 0.799 153 E CB -0.268 29.520 29.700 0.146 0.000 0.748 153 E HN 0.522 nan 8.360 nan 0.000 0.449 154 A N 1.089 123.804 122.820 -0.176 0.000 1.902 154 A HA -0.175 4.149 4.320 0.006 0.000 0.217 154 A C 2.172 179.638 177.584 -0.197 0.000 1.181 154 A CA 1.513 53.208 52.037 -0.570 0.000 0.623 154 A CB -0.478 17.806 19.000 -1.193 0.000 0.818 154 A HN 0.175 nan 8.150 nan 0.000 0.443 155 R N -1.830 118.615 120.500 -0.092 0.000 2.120 155 R HA -0.155 4.189 4.340 0.006 0.000 0.234 155 R C 2.209 178.558 176.300 0.082 0.000 1.123 155 R CA 1.543 57.649 56.100 0.010 0.000 0.975 155 R CB -0.376 29.930 30.300 0.011 0.000 0.866 155 R HN 0.826 nan 8.270 nan 0.000 0.446 156 H N 0.062 119.136 119.070 0.007 0.000 2.363 156 H HA 0.004 4.563 4.556 0.006 0.000 0.301 156 H C 1.827 177.180 175.328 0.043 0.000 1.074 156 H CA 1.524 57.583 56.048 0.018 0.000 1.354 156 H CB 0.124 29.888 29.762 0.002 0.000 1.397 156 H HN -0.045 nan 8.280 nan 0.000 0.516 157 M N -0.041 119.482 119.600 -0.128 0.000 2.159 157 M HA -0.089 4.395 4.480 0.006 0.000 0.263 157 M C 2.408 178.755 176.300 0.078 0.000 1.063 157 M CA 1.037 56.280 55.300 -0.095 0.000 1.110 157 M CB -0.879 31.834 32.600 0.189 0.000 1.374 157 M HN 0.347 nan 8.290 nan 0.000 0.411 158 L N -0.402 120.951 121.223 0.217 0.000 2.093 158 L HA -0.207 4.136 4.340 0.006 0.000 0.208 158 L C 2.515 179.491 176.870 0.177 0.000 1.085 158 L CA 1.091 56.106 54.840 0.293 0.000 0.755 158 L CB -0.458 41.743 42.059 0.237 0.000 0.904 158 L HN 0.237 nan 8.230 nan 0.000 0.435 159 E N 1.082 121.316 120.200 0.057 0.000 2.047 159 E HA -0.209 4.145 4.350 0.006 0.000 0.191 159 E C 1.858 178.431 176.600 -0.045 0.000 0.987 159 E CA 1.369 57.782 56.400 0.022 0.000 0.799 159 E CB -0.229 29.494 29.700 0.037 0.000 0.752 159 E HN 0.590 nan 8.360 nan 0.000 0.449 160 I N -2.041 118.439 120.570 -0.151 0.000 3.646 160 I HA 0.198 4.372 4.170 0.006 0.000 0.301 160 I C -0.116 175.863 176.117 -0.231 0.000 1.276 160 I CA 0.123 61.312 61.300 -0.185 0.000 1.254 160 I CB -0.269 37.574 38.000 -0.263 0.000 1.020 160 I HN -0.025 nan 8.210 nan 0.000 0.473 161 R N 0.950 121.323 120.500 -0.212 0.000 3.422 161 R HA -0.170 4.173 4.340 0.006 0.000 0.267 161 R C 1.253 177.159 176.300 -0.657 0.000 1.074 161 R CA 0.510 56.286 56.100 -0.540 0.000 0.718 161 R CB -1.657 28.231 30.300 -0.687 0.000 1.157 161 R HN 0.552 nan 8.270 nan 0.000 0.440 162 R N 0.115 120.422 120.500 -0.320 0.000 2.105 162 R HA 0.100 4.443 4.340 0.006 0.000 0.214 162 R C 0.270 176.222 176.300 -0.580 0.000 1.091 162 R CA 0.994 56.799 56.100 -0.492 0.000 1.007 162 R CB 0.463 30.425 30.300 -0.563 0.000 0.912 162 R HN 0.324 nan 8.270 nan 0.000 0.450 163 H N -0.842 118.374 119.070 0.243 0.000 3.012 163 H HA 0.254 4.814 4.556 0.006 0.000 0.367 163 H C -0.154 175.158 175.328 -0.028 0.000 1.211 163 H CA -0.519 55.600 56.048 0.118 0.000 1.139 163 H CB 1.793 31.460 29.762 -0.159 0.000 1.838 163 H HN 0.099 nan 8.280 nan 0.000 0.550 164 R N 0.030 120.338 120.500 -0.320 0.000 2.539 164 R HA 0.379 4.722 4.340 0.006 0.000 0.342 164 R C -1.067 174.945 176.300 -0.479 0.000 0.941 164 R CA -0.070 55.773 56.100 -0.428 0.000 1.146 164 R CB 0.571 30.395 30.300 -0.794 0.000 1.541 164 R HN 0.091 nan 8.270 nan 0.000 0.525 165 V N 2.132 121.642 119.914 -0.672 0.000 2.487 165 V HA 0.534 4.658 4.120 0.006 0.000 0.298 165 V C -1.245 174.410 176.094 -0.731 0.000 1.028 165 V CA -0.579 61.468 62.300 -0.421 0.000 0.860 165 V CB 1.396 33.153 31.823 -0.111 0.000 0.991 165 V HN 0.074 nan 8.190 nan 0.000 0.427 166 F N 3.043 123.049 119.950 0.094 0.000 2.551 166 F HA 0.696 5.227 4.527 0.006 0.000 0.316 166 F C 0.005 175.819 175.800 0.024 0.000 1.089 166 F CA -0.796 57.243 58.000 0.066 0.000 0.915 166 F CB 2.099 41.136 39.000 0.062 0.000 1.186 166 F HN 0.335 nan 8.300 nan 0.000 0.456 167 K N 2.490 122.969 120.400 0.131 0.000 2.328 167 K HA 0.854 5.178 4.320 0.006 0.000 0.246 167 K C -1.980 174.629 176.600 0.014 0.000 0.955 167 K CA -0.607 55.715 56.287 0.059 0.000 0.817 167 K CB 1.696 34.235 32.500 0.065 0.000 1.208 167 K HN 0.745 nan 8.250 nan 0.000 0.432 168 L N 3.337 124.558 121.223 -0.003 0.000 2.409 168 L HA 0.433 4.776 4.340 0.006 0.000 0.272 168 L C -0.831 176.025 176.870 -0.022 0.000 0.980 168 L CA -0.695 54.136 54.840 -0.015 0.000 0.826 168 L CB 2.099 44.143 42.059 -0.026 0.000 1.268 168 L HN 0.549 nan 8.230 nan 0.000 0.407 169 K N 5.579 125.966 120.400 -0.021 0.000 2.262 169 K HA 0.614 4.938 4.320 0.006 0.000 0.282 169 K C -0.660 175.902 176.600 -0.064 0.000 1.066 169 K CA -0.288 55.977 56.287 -0.036 0.000 0.901 169 K CB 1.307 33.800 32.500 -0.011 0.000 1.089 169 K HN 0.520 nan 8.250 nan 0.000 0.476 170 I N -2.715 117.775 120.570 -0.134 0.000 3.239 170 I HA 0.749 4.923 4.170 0.006 0.000 0.314 170 I C 0.555 176.441 176.117 -0.385 0.000 1.126 170 I CA -0.690 60.501 61.300 -0.182 0.000 0.973 170 I CB 2.334 40.284 38.000 -0.083 0.000 1.252 170 I HN 0.664 nan 8.210 nan 0.000 0.463 171 G N 1.166 109.729 108.800 -0.395 0.000 2.380 171 G HA2 -0.169 3.794 3.960 0.006 0.000 0.197 171 G HA3 -0.169 3.794 3.960 0.006 0.000 0.197 171 G C 0.848 175.323 174.900 -0.708 0.000 1.001 171 G CA 0.403 45.157 45.100 -0.575 0.000 0.668 171 G HN 1.212 nan 8.290 nan 0.000 0.483 172 A N 0.072 122.444 122.820 -0.748 0.000 2.072 172 A HA 0.365 4.689 4.320 0.006 0.000 0.216 172 A C 1.145 178.620 177.584 -0.182 0.000 1.156 172 A CA 1.316 53.035 52.037 -0.529 0.000 0.701 172 A CB -0.157 18.599 19.000 -0.407 0.000 0.816 172 A HN 0.455 nan 8.150 nan 0.000 0.458 173 N N -0.357 118.278 118.700 -0.110 0.000 2.592 173 N HA 0.407 5.151 4.740 0.006 0.000 0.292 173 N C -3.051 172.481 175.510 0.037 0.000 1.260 173 N CA -1.705 51.327 53.050 -0.029 0.000 0.910 173 N CB -0.134 38.331 38.487 -0.036 0.000 1.257 173 N HN -0.151 nan 8.380 nan 0.000 0.569 174 P HA 0.016 nan 4.420 nan 0.000 0.265 174 P C 1.134 178.472 177.300 0.063 0.000 1.193 174 P CA -0.128 62.996 63.100 0.040 0.000 0.765 174 P CB 0.704 32.413 31.700 0.015 0.000 0.823 175 V N 2.916 122.859 119.914 0.049 0.000 2.317 175 V HA -0.312 3.811 4.120 0.006 0.000 0.251 175 V C 1.885 177.991 176.094 0.021 0.000 1.065 175 V CA 2.108 64.422 62.300 0.023 0.000 1.049 175 V CB -1.142 30.570 31.823 -0.186 0.000 0.651 175 V HN 0.588 nan 8.190 nan 0.000 0.450 176 E N 0.063 120.261 120.200 -0.003 0.000 2.058 176 E HA -0.255 4.099 4.350 0.006 0.000 0.194 176 E C 2.226 178.843 176.600 0.028 0.000 0.997 176 E CA 1.538 57.939 56.400 0.001 0.000 0.801 176 E CB -0.405 29.290 29.700 -0.008 0.000 0.746 176 E HN 0.665 nan 8.360 nan 0.000 0.450 177 Q N 0.235 120.054 119.800 0.033 0.000 2.046 177 Q HA -0.161 4.182 4.340 0.006 0.000 0.200 177 Q C 1.717 177.762 176.000 0.075 0.000 0.975 177 Q CA 1.361 57.186 55.803 0.037 0.000 0.836 177 Q CB -0.038 28.707 28.738 0.011 0.000 0.896 177 Q HN 0.292 nan 8.270 nan 0.000 0.428 178 D N 0.343 120.805 120.400 0.102 0.000 2.097 178 D HA -0.145 4.498 4.640 0.006 0.000 0.195 178 D C 1.901 178.308 176.300 0.179 0.000 0.989 178 D CA 0.844 54.939 54.000 0.159 0.000 0.827 178 D CB -0.056 40.864 40.800 0.200 0.000 0.966 178 D HN 0.088 nan 8.370 nan 0.000 0.456 179 L N 1.261 122.572 121.223 0.147 0.000 2.012 179 L HA -0.155 4.188 4.340 0.006 0.000 0.210 179 L C 2.291 179.210 176.870 0.081 0.000 1.073 179 L CA 1.575 56.480 54.840 0.108 0.000 0.748 179 L CB -0.613 41.479 42.059 0.056 0.000 0.891 179 L HN -0.038 nan 8.230 nan 0.000 0.431 180 K N -1.675 118.773 120.400 0.079 0.000 2.057 180 K HA -0.225 4.099 4.320 0.006 0.000 0.207 180 K C 2.295 178.956 176.600 0.101 0.000 1.049 180 K CA 1.309 57.637 56.287 0.069 0.000 0.931 180 K CB -0.222 32.312 32.500 0.057 0.000 0.714 180 K HN 0.497 nan 8.250 nan 0.000 0.440 181 H N -0.051 119.028 119.070 0.015 0.000 2.293 181 H HA -0.118 4.441 4.556 0.006 0.000 0.300 181 H C 1.925 177.259 175.328 0.009 0.000 1.082 181 H CA 1.894 57.946 56.048 0.007 0.000 1.308 181 H CB 0.124 29.888 29.762 0.003 0.000 1.375 181 H HN 0.016 nan 8.280 nan 0.000 0.495 182 V N 0.786 120.646 119.914 -0.090 0.000 2.261 182 V HA -0.240 3.884 4.120 0.006 0.000 0.246 182 V C 2.933 178.974 176.094 -0.087 0.000 1.047 182 V CA 1.516 63.728 62.300 -0.148 0.000 1.015 182 V CB -0.660 31.148 31.823 -0.024 0.000 0.642 182 V HN 0.281 nan 8.190 nan 0.000 0.446 183 V N 0.006 119.905 119.914 -0.025 0.000 2.392 183 V HA -0.295 3.829 4.120 0.006 0.000 0.249 183 V C 2.572 178.653 176.094 -0.021 0.000 1.059 183 V CA 2.659 64.952 62.300 -0.012 0.000 1.051 183 V CB -1.020 30.807 31.823 0.007 0.000 0.658 183 V HN 0.631 nan 8.190 nan 0.000 0.455 184 T N -0.055 114.484 114.554 -0.025 0.000 2.821 184 T HA -0.048 4.305 4.350 0.006 0.000 0.267 184 T C 1.807 176.479 174.700 -0.047 0.000 1.046 184 T CA 1.458 63.545 62.100 -0.021 0.000 1.139 184 T CB -0.215 68.654 68.868 0.002 0.000 0.871 184 T HN 0.353 nan 8.240 nan 0.000 0.454 185 I N 0.823 121.335 120.570 -0.097 0.000 2.226 185 I HA -0.157 4.017 4.170 0.006 0.000 0.245 185 I C 2.549 178.626 176.117 -0.068 0.000 1.100 185 I CA 1.078 62.311 61.300 -0.112 0.000 1.374 185 I CB -0.217 37.666 38.000 -0.194 0.000 1.057 185 I HN 0.105 nan 8.210 nan 0.000 0.413 186 K N 1.494 121.865 120.400 -0.047 0.000 2.025 186 K HA -0.187 4.137 4.320 0.006 0.000 0.207 186 K C 2.203 178.798 176.600 -0.007 0.000 1.049 186 K CA 1.545 57.824 56.287 -0.013 0.000 0.933 186 K CB -0.336 32.163 32.500 -0.002 0.000 0.714 186 K HN 0.065 nan 8.250 nan 0.000 0.438 187 R N 0.236 120.730 120.500 -0.011 0.000 2.081 187 R HA -0.105 4.239 4.340 0.006 0.000 0.235 187 R C 1.796 178.092 176.300 -0.006 0.000 1.131 187 R CA 1.637 57.734 56.100 -0.005 0.000 0.960 187 R CB -0.105 30.193 30.300 -0.004 0.000 0.856 187 R HN 0.195 nan 8.270 nan 0.000 0.436 188 E N 0.513 120.704 120.200 -0.015 0.000 2.106 188 E HA -0.160 4.194 4.350 0.006 0.000 0.192 188 E C 2.010 178.600 176.600 -0.016 0.000 0.984 188 E CA 1.004 57.394 56.400 -0.016 0.000 0.806 188 E CB -0.015 29.671 29.700 -0.025 0.000 0.750 188 E HN 0.438 nan 8.360 nan 0.000 0.458 189 L N -0.403 120.808 121.223 -0.019 0.000 2.375 189 L HA 0.079 4.422 4.340 0.006 0.000 0.215 189 L C 1.527 178.406 176.870 0.014 0.000 1.108 189 L CA 0.413 55.248 54.840 -0.009 0.000 0.830 189 L CB -0.595 41.453 42.059 -0.018 0.000 0.959 189 L HN 0.158 nan 8.230 nan 0.000 0.457 190 G N 1.844 110.652 108.800 0.013 0.000 2.574 190 G HA2 -0.406 3.558 3.960 0.006 0.000 0.282 190 G HA3 -0.406 3.558 3.960 0.006 0.000 0.282 190 G C 0.272 175.190 174.900 0.029 0.000 1.257 190 G CA 0.415 45.526 45.100 0.019 0.000 0.956 190 G HN 0.528 nan 8.290 nan 0.000 0.560 191 D N 0.302 120.717 120.400 0.026 0.000 2.323 191 D HA 0.153 4.796 4.640 0.006 0.000 0.239 191 D C 1.994 178.310 176.300 0.027 0.000 1.129 191 D CA 1.275 55.291 54.000 0.026 0.000 0.865 191 D CB -0.427 40.384 40.800 0.018 0.000 0.913 191 D HN 0.791 nan 8.370 nan 0.000 0.517 192 S N -1.314 114.409 115.700 0.038 0.000 2.501 192 S HA 0.448 4.922 4.470 0.006 0.000 0.220 192 S C 0.871 175.510 174.600 0.064 0.000 0.997 192 S CA -0.010 58.215 58.200 0.043 0.000 0.919 192 S CB 0.191 63.421 63.200 0.051 0.000 0.778 192 S HN 0.451 nan 8.310 nan 0.000 0.523 193 A N 0.790 123.668 122.820 0.097 0.000 2.572 193 A HA 0.743 5.067 4.320 0.006 0.000 0.295 193 A C -0.557 177.106 177.584 0.132 0.000 1.072 193 A CA -0.527 51.607 52.037 0.162 0.000 0.691 193 A CB 1.414 20.667 19.000 0.422 0.000 1.291 193 A HN 0.230 nan 8.150 nan 0.000 0.404 194 S N 0.385 116.149 115.700 0.106 0.000 2.499 194 S HA 0.586 5.059 4.470 0.006 0.000 0.279 194 S C -0.669 174.021 174.600 0.150 0.000 1.219 194 S CA -0.328 57.935 58.200 0.105 0.000 1.062 194 S CB 0.297 63.549 63.200 0.087 0.000 0.978 194 S HN 0.997 nan 8.310 nan 0.000 0.489 195 V N 6.398 126.388 119.914 0.127 0.000 2.448 195 V HA 0.617 4.741 4.120 0.006 0.000 0.295 195 V C -0.130 175.999 176.094 0.058 0.000 1.025 195 V CA -0.753 61.619 62.300 0.119 0.000 0.859 195 V CB 1.568 33.441 31.823 0.083 0.000 0.988 195 V HN 0.914 nan 8.190 nan 0.000 0.431 196 R N 2.366 122.890 120.500 0.039 0.000 2.888 196 R HA 0.887 5.230 4.340 0.006 0.000 0.266 196 R C -0.948 175.334 176.300 -0.029 0.000 1.020 196 R CA -0.753 55.332 56.100 -0.024 0.000 0.963 196 R CB 2.395 32.656 30.300 -0.066 0.000 1.197 196 R HN 0.650 nan 8.270 nan 0.000 0.481 197 V N -2.004 117.872 119.914 -0.063 0.000 2.914 197 V HA 0.691 4.814 4.120 0.006 0.000 0.314 197 V C -1.286 174.749 176.094 -0.099 0.000 1.084 197 V CA -0.736 61.525 62.300 -0.065 0.000 0.963 197 V CB 2.164 33.956 31.823 -0.052 0.000 1.025 197 V HN 0.710 nan 8.190 nan 0.000 0.432 198 D N 1.730 122.072 120.400 -0.097 0.000 2.620 198 D HA 0.531 5.175 4.640 0.006 0.000 0.252 198 D C 0.249 176.462 176.300 -0.144 0.000 1.207 198 D CA -0.304 53.639 54.000 -0.094 0.000 0.884 198 D CB 2.101 42.886 40.800 -0.026 0.000 1.262 198 D HN 0.366 nan 8.370 nan 0.000 0.552 199 V N 2.867 122.649 119.914 -0.219 0.000 3.590 199 V HA 0.068 4.192 4.120 0.006 0.000 0.265 199 V C 0.545 176.587 176.094 -0.087 0.000 1.239 199 V CA 0.097 62.189 62.300 -0.346 0.000 1.117 199 V CB -1.401 30.005 31.823 -0.695 0.000 0.818 199 V HN 0.762 nan 8.190 nan 0.000 0.451 200 N N 1.187 119.865 118.700 -0.036 0.000 2.714 200 N HA -0.301 4.442 4.740 0.006 0.000 0.252 200 N C 0.468 175.899 175.510 -0.131 0.000 1.014 200 N CA 0.830 53.873 53.050 -0.012 0.000 0.735 200 N CB -1.139 37.413 38.487 0.107 0.000 0.924 200 N HN 0.746 nan 8.380 nan 0.000 0.540 201 Q N -4.902 114.828 119.800 -0.116 0.000 2.362 201 Q HA -0.343 4.000 4.340 0.006 0.000 0.220 201 Q C 0.222 176.151 176.000 -0.118 0.000 0.713 201 Q CA 1.471 57.200 55.803 -0.123 0.000 1.345 201 Q CB -1.654 26.983 28.738 -0.169 0.000 1.570 201 Q HN 0.689 nan 8.270 nan 0.000 0.701 202 Y N -0.813 119.393 120.300 -0.156 0.000 2.274 202 Y HA -0.144 4.410 4.550 0.006 0.000 0.290 202 Y C 1.192 177.132 175.900 0.067 0.000 1.145 202 Y CA 1.311 59.344 58.100 -0.111 0.000 1.203 202 Y CB 0.277 38.606 38.460 -0.217 0.000 0.984 202 Y HN 0.209 nan 8.280 nan 0.000 0.533 203 W N 1.511 122.892 121.300 0.135 0.000 2.375 203 W HA 0.274 4.937 4.660 0.004 0.000 0.336 203 W C -0.074 176.466 176.519 0.036 0.000 1.160 203 W CA -1.618 55.771 57.345 0.073 0.000 1.266 203 W CB 0.226 29.716 29.460 0.050 0.000 1.195 203 W HN 0.029 nan 8.180 nan 0.000 0.599 204 D N -1.050 119.496 120.400 0.243 0.000 2.387 204 D HA 0.074 4.717 4.640 0.006 0.000 0.255 204 D C 0.795 177.156 176.300 0.102 0.000 1.081 204 D CA -0.511 53.565 54.000 0.127 0.000 0.994 204 D CB 0.816 41.660 40.800 0.074 0.000 1.127 204 D HN 0.526 nan 8.370 nan 0.000 0.513 205 E N -0.203 120.036 120.200 0.064 0.000 2.118 205 E HA -0.256 4.098 4.350 0.006 0.000 0.195 205 E C 1.695 178.296 176.600 0.002 0.000 0.992 205 E CA 1.673 58.098 56.400 0.042 0.000 0.804 205 E CB -0.017 29.701 29.700 0.029 0.000 0.741 205 E HN 0.550 nan 8.360 nan 0.000 0.458 206 S N 0.138 115.832 115.700 -0.010 0.000 2.383 206 S HA -0.246 4.228 4.470 0.006 0.000 0.229 206 S C 1.928 176.473 174.600 -0.091 0.000 1.030 206 S CA 1.329 59.505 58.200 -0.040 0.000 1.002 206 S CB -0.331 62.850 63.200 -0.032 0.000 0.829 206 S HN 0.325 nan 8.310 nan 0.000 0.467 207 Q N 1.097 120.826 119.800 -0.118 0.000 2.123 207 Q HA 0.196 4.540 4.340 0.006 0.000 0.199 207 Q C 2.602 178.349 176.000 -0.421 0.000 0.966 207 Q CA 1.175 56.807 55.803 -0.285 0.000 0.845 207 Q CB -0.488 28.041 28.738 -0.349 0.000 0.907 207 Q HN 0.760 nan 8.270 nan 0.000 0.439 208 A N 0.889 123.576 122.820 -0.223 0.000 1.972 208 A HA -0.159 4.165 4.320 0.006 0.000 0.219 208 A C 2.005 179.518 177.584 -0.118 0.000 1.169 208 A CA 0.892 52.852 52.037 -0.128 0.000 0.635 208 A CB -0.602 18.485 19.000 0.145 0.000 0.810 208 A HN 0.298 nan 8.150 nan 0.000 0.446 209 I N -1.130 119.382 120.570 -0.096 0.000 2.118 209 I HA -0.325 3.849 4.170 0.006 0.000 0.241 209 I C 2.760 178.820 176.117 -0.094 0.000 1.070 209 I CA 2.018 63.275 61.300 -0.071 0.000 1.327 209 I CB -0.233 37.732 38.000 -0.057 0.000 1.034 209 I HN 0.270 nan 8.210 nan 0.000 0.405 210 R N 0.972 121.389 120.500 -0.139 0.000 2.057 210 R HA -0.042 4.302 4.340 0.006 0.000 0.229 210 R C 2.277 178.483 176.300 -0.157 0.000 1.136 210 R CA 1.676 57.695 56.100 -0.134 0.000 0.952 210 R CB -0.798 29.413 30.300 -0.148 0.000 0.848 210 R HN 0.365 nan 8.270 nan 0.000 0.430 211 A N -0.238 122.413 122.820 -0.282 0.000 1.892 211 A HA -0.243 4.080 4.320 0.006 0.000 0.218 211 A C 2.492 180.029 177.584 -0.079 0.000 1.188 211 A CA 1.935 53.785 52.037 -0.310 0.000 0.631 211 A CB -1.240 17.206 19.000 -0.923 0.000 0.822 211 A HN 0.562 nan 8.150 nan 0.000 0.447 212 C N -1.556 117.725 119.300 -0.033 0.000 2.435 212 C HA -0.046 4.417 4.460 0.006 0.000 0.279 212 C C 2.827 177.823 174.990 0.010 0.000 1.321 212 C CA 1.331 60.374 59.018 0.042 0.000 1.752 212 C CB -1.001 26.769 27.740 0.051 0.000 1.959 212 C HN 0.771 nan 8.230 nan 0.000 0.500 213 Q N 0.972 120.761 119.800 -0.018 0.000 2.083 213 Q HA -0.091 4.253 4.340 0.006 0.000 0.198 213 Q C 2.090 178.083 176.000 -0.012 0.000 0.969 213 Q CA 1.828 57.621 55.803 -0.017 0.000 0.838 213 Q CB -0.344 28.378 28.738 -0.027 0.000 0.900 213 Q HN 0.469 nan 8.270 nan 0.000 0.436 214 V N 0.255 120.157 119.914 -0.019 0.000 2.295 214 V HA -0.225 3.898 4.120 0.006 0.000 0.246 214 V C 2.122 178.221 176.094 0.008 0.000 1.049 214 V CA 1.353 63.647 62.300 -0.010 0.000 1.024 214 V CB -0.592 31.218 31.823 -0.022 0.000 0.648 214 V HN 0.302 nan 8.190 nan 0.000 0.447 215 L N 1.038 122.276 121.223 0.025 0.000 2.027 215 L HA -0.018 4.325 4.340 0.006 0.000 0.206 215 L C 2.570 179.452 176.870 0.020 0.000 1.074 215 L CA 2.332 57.194 54.840 0.037 0.000 0.745 215 L CB -1.739 40.364 42.059 0.073 0.000 0.898 215 L HN 0.350 nan 8.230 nan 0.000 0.433 216 G N -1.133 107.676 108.800 0.014 0.000 2.418 216 G HA2 -0.251 3.712 3.960 0.006 0.000 0.217 216 G HA3 -0.251 3.712 3.960 0.006 0.000 0.217 216 G C 1.231 176.136 174.900 0.008 0.000 1.158 216 G CA 0.770 45.874 45.100 0.006 0.000 0.771 216 G HN 0.349 nan 8.290 nan 0.000 0.545 217 D N 0.428 120.832 120.400 0.006 0.000 2.348 217 D HA -0.022 4.622 4.640 0.006 0.000 0.216 217 D C 1.351 177.656 176.300 0.007 0.000 0.970 217 D CA 0.436 54.439 54.000 0.005 0.000 0.889 217 D CB -0.024 40.776 40.800 0.001 0.000 0.912 217 D HN 0.256 nan 8.370 nan 0.000 0.524 218 N N -0.370 118.336 118.700 0.009 0.000 2.273 218 N HA 0.160 4.904 4.740 0.006 0.000 0.231 218 N C 0.892 176.410 175.510 0.013 0.000 1.134 218 N CA 0.263 53.319 53.050 0.010 0.000 0.856 218 N CB 1.574 40.066 38.487 0.009 0.000 1.068 218 N HN 0.130 nan 8.380 nan 0.000 0.510 219 G N 0.927 109.738 108.800 0.017 0.000 2.175 219 G HA2 -0.253 3.711 3.960 0.006 0.000 0.244 219 G HA3 -0.253 3.711 3.960 0.006 0.000 0.244 219 G C 0.010 174.926 174.900 0.027 0.000 0.982 219 G CA -0.391 44.723 45.100 0.023 0.000 0.641 219 G HN 0.226 nan 8.290 nan 0.000 0.527 220 I N 2.252 122.832 120.570 0.017 0.000 2.517 220 I HA 0.238 4.412 4.170 0.006 0.000 0.285 220 I C 1.274 177.388 176.117 -0.004 0.000 1.106 220 I CA -0.376 60.930 61.300 0.009 0.000 1.402 220 I CB 0.988 38.989 38.000 0.003 0.000 1.399 220 I HN 0.034 nan 8.210 nan 0.000 0.535 221 D N 5.519 125.921 120.400 0.005 0.000 2.178 221 D HA -0.016 4.628 4.640 0.006 0.000 0.202 221 D C 0.281 176.453 176.300 -0.212 0.000 0.974 221 D CA 1.374 55.372 54.000 -0.003 0.000 0.841 221 D CB 0.034 40.923 40.800 0.150 0.000 0.953 221 D HN 0.408 nan 8.370 nan 0.000 0.478 222 L N -2.973 118.099 121.223 -0.252 0.000 2.671 222 L HA 0.511 4.855 4.340 0.006 0.000 0.259 222 L C -1.529 175.200 176.870 -0.236 0.000 1.021 222 L CA -0.975 53.640 54.840 -0.374 0.000 0.871 222 L CB 1.816 43.453 42.059 -0.703 0.000 1.472 222 L HN -0.277 nan 8.230 nan 0.000 0.410 223 I N 1.132 121.575 120.570 -0.212 0.000 2.448 223 I HA 0.410 4.583 4.170 0.006 0.000 0.281 223 I C -0.600 175.428 176.117 -0.149 0.000 1.027 223 I CA -0.308 60.914 61.300 -0.130 0.000 1.111 223 I CB 1.814 39.791 38.000 -0.039 0.000 1.236 223 I HN 0.801 nan 8.210 nan 0.000 0.452 224 E N 6.076 126.179 120.200 -0.162 0.000 2.194 224 E HA 0.109 4.463 4.350 0.006 0.000 0.284 224 E C -0.086 176.453 176.600 -0.101 0.000 1.035 224 E CA -0.484 55.830 56.400 -0.144 0.000 0.836 224 E CB 0.692 30.301 29.700 -0.152 0.000 1.070 224 E HN 0.477 nan 8.360 nan 0.000 0.401 225 Q N 3.914 123.671 119.800 -0.071 0.000 2.429 225 Q HA -0.173 4.171 4.340 0.006 0.000 0.365 225 Q C -1.986 173.976 176.000 -0.063 0.000 1.384 225 Q CA 0.673 56.444 55.803 -0.053 0.000 1.089 225 Q CB -0.205 28.503 28.738 -0.050 0.000 1.264 225 Q HN 0.534 nan 8.270 nan 0.000 0.342 226 P HA -0.101 nan 4.420 nan 0.000 0.216 226 P C 0.669 178.029 177.300 0.100 0.000 1.153 226 P CA 1.624 64.743 63.100 0.032 0.000 0.848 226 P CB -0.086 31.727 31.700 0.189 0.000 0.787 227 I N -4.526 116.097 120.570 0.087 0.000 2.957 227 I HA 0.556 4.730 4.170 0.006 0.000 0.310 227 I C 0.127 176.256 176.117 0.020 0.000 1.063 227 I CA -1.431 59.921 61.300 0.087 0.000 1.033 227 I CB 2.011 40.072 38.000 0.102 0.000 1.230 227 I HN -0.283 nan 8.210 nan 0.000 0.447 228 S N 1.513 117.217 115.700 0.007 0.000 2.563 228 S HA 0.076 4.549 4.470 0.006 0.000 0.284 228 S C 1.434 176.025 174.600 -0.016 0.000 1.331 228 S CA -0.053 58.132 58.200 -0.025 0.000 1.047 228 S CB 0.554 63.737 63.200 -0.028 0.000 0.859 228 S HN 0.868 nan 8.310 nan 0.000 0.514 229 R N 3.714 124.198 120.500 -0.027 0.000 2.200 229 R HA -0.107 4.237 4.340 0.006 0.000 0.234 229 R C 1.963 178.260 176.300 -0.005 0.000 1.127 229 R CA 2.019 58.108 56.100 -0.017 0.000 0.989 229 R CB -1.013 29.274 30.300 -0.022 0.000 0.869 229 R HN 0.855 nan 8.270 nan 0.000 0.459 230 I N -1.178 119.390 120.570 -0.003 0.000 2.916 230 I HA -0.064 4.110 4.170 0.006 0.000 0.267 230 I C 0.519 176.639 176.117 0.006 0.000 1.263 230 I CA 1.091 62.393 61.300 0.003 0.000 1.471 230 I CB -0.351 37.650 38.000 0.001 0.000 1.089 230 I HN 0.165 nan 8.210 nan 0.000 0.468 231 N N 1.413 120.117 118.700 0.007 0.000 3.091 231 N HA 0.141 4.885 4.740 0.006 0.000 0.255 231 N C 1.091 176.607 175.510 0.011 0.000 1.204 231 N CA -0.424 52.633 53.050 0.011 0.000 0.990 231 N CB 0.337 38.834 38.487 0.018 0.000 1.260 231 N HN 0.120 nan 8.380 nan 0.000 0.502 232 R N 2.085 122.591 120.500 0.010 0.000 2.073 232 R HA -0.027 4.316 4.340 0.006 0.000 0.234 232 R C 1.983 178.289 176.300 0.011 0.000 1.134 232 R CA 2.169 58.275 56.100 0.009 0.000 0.952 232 R CB -0.932 29.373 30.300 0.009 0.000 0.850 232 R HN 0.549 nan 8.270 nan 0.000 0.433 233 G N -1.053 107.753 108.800 0.010 0.000 2.442 233 G HA2 -0.221 3.742 3.960 0.006 0.000 0.219 233 G HA3 -0.221 3.742 3.960 0.006 0.000 0.219 233 G C 1.542 176.449 174.900 0.011 0.000 1.141 233 G CA 0.815 45.921 45.100 0.009 0.000 0.763 233 G HN 0.542 nan 8.290 nan 0.000 0.554 234 G N -0.048 108.760 108.800 0.014 0.000 2.422 234 G HA2 -0.112 3.852 3.960 0.006 0.000 0.218 234 G HA3 -0.112 3.852 3.960 0.006 0.000 0.218 234 G C 1.785 176.698 174.900 0.021 0.000 1.140 234 G CA 0.972 46.082 45.100 0.018 0.000 0.775 234 G HN 0.517 nan 8.290 nan 0.000 0.545 235 Q N -0.176 119.636 119.800 0.020 0.000 2.046 235 Q HA -0.040 4.304 4.340 0.006 0.000 0.200 235 Q C 2.853 178.863 176.000 0.017 0.000 0.975 235 Q CA 1.286 57.102 55.803 0.020 0.000 0.836 235 Q CB -0.236 28.513 28.738 0.019 0.000 0.896 235 Q HN 0.367 nan 8.270 nan 0.000 0.428 236 V N 1.151 121.073 119.914 0.013 0.000 2.287 236 V HA -0.308 3.815 4.120 0.006 0.000 0.248 236 V C 2.234 178.332 176.094 0.007 0.000 1.053 236 V CA 1.948 64.254 62.300 0.009 0.000 1.027 236 V CB -0.582 31.244 31.823 0.006 0.000 0.646 236 V HN 0.307 nan 8.190 nan 0.000 0.447 237 R N -0.754 119.751 120.500 0.007 0.000 2.073 237 R HA -0.142 4.201 4.340 0.006 0.000 0.234 237 R C 2.237 178.541 176.300 0.006 0.000 1.134 237 R CA 1.360 57.463 56.100 0.005 0.000 0.952 237 R CB -0.536 29.768 30.300 0.006 0.000 0.850 237 R HN 0.303 nan 8.270 nan 0.000 0.433 238 L N 1.552 122.782 121.223 0.011 0.000 2.083 238 L HA -0.173 4.171 4.340 0.006 0.000 0.209 238 L C 2.015 178.889 176.870 0.006 0.000 1.083 238 L CA 1.553 56.401 54.840 0.013 0.000 0.752 238 L CB -0.980 41.095 42.059 0.027 0.000 0.899 238 L HN 0.284 nan 8.230 nan 0.000 0.433 239 N N -0.642 118.061 118.700 0.004 0.000 2.364 239 N HA -0.193 4.550 4.740 0.006 0.000 0.183 239 N C 1.501 177.008 175.510 -0.005 0.000 1.022 239 N CA 0.922 53.971 53.050 -0.002 0.000 0.883 239 N CB 0.233 38.721 38.487 0.002 0.000 0.965 239 N HN 0.575 nan 8.380 nan 0.000 0.438 240 Q N -0.514 119.285 119.800 -0.002 0.000 2.391 240 Q HA 0.024 4.368 4.340 0.006 0.000 0.211 240 Q C 1.813 177.811 176.000 -0.003 0.000 0.908 240 Q CA 0.347 56.148 55.803 -0.003 0.000 0.920 240 Q CB 0.388 29.125 28.738 -0.002 0.000 1.056 240 Q HN 0.427 nan 8.270 nan 0.000 0.523 241 R N -0.297 120.202 120.500 -0.002 0.000 2.221 241 R HA 0.193 4.536 4.340 0.006 0.000 0.195 241 R C 0.313 176.611 176.300 -0.004 0.000 0.956 241 R CA 0.168 56.266 56.100 -0.003 0.000 1.064 241 R CB -0.102 30.196 30.300 -0.004 0.000 1.049 241 R HN -0.190 nan 8.270 nan 0.000 0.534 242 T N 4.774 119.326 114.554 -0.003 0.000 2.829 242 T HA 0.070 4.424 4.350 0.006 0.000 0.293 242 T C -1.777 172.919 174.700 -0.007 0.000 0.970 242 T CA -0.982 61.117 62.100 -0.002 0.000 1.168 242 T CB 1.452 70.320 68.868 0.000 0.000 0.911 242 T HN 0.188 nan 8.240 nan 0.000 0.535 243 P HA 0.050 nan 4.420 nan 0.000 0.225 243 P C 0.081 177.376 177.300 -0.008 0.000 1.148 243 P CA 0.483 63.581 63.100 -0.004 0.000 0.779 243 P CB 0.269 31.968 31.700 -0.001 0.000 0.780 244 A N 0.979 123.787 122.820 -0.020 0.000 2.337 244 A HA 0.624 4.948 4.320 0.006 0.000 0.329 244 A C -2.604 174.931 177.584 -0.082 0.000 1.146 244 A CA -2.200 49.808 52.037 -0.048 0.000 0.800 244 A CB 0.734 19.703 19.000 -0.051 0.000 1.220 244 A HN -0.104 nan 8.150 nan 0.000 0.472 245 P HA 0.119 nan 4.420 nan 0.000 0.268 245 P C -0.583 176.597 177.300 -0.198 0.000 1.204 245 P CA 0.158 63.157 63.100 -0.167 0.000 0.768 245 P CB 0.515 32.083 31.700 -0.221 0.000 0.842 246 I N 4.146 124.639 120.570 -0.128 0.000 2.395 246 I HA 0.313 4.487 4.170 0.006 0.000 0.289 246 I C 0.826 176.875 176.117 -0.113 0.000 1.023 246 I CA -0.448 60.792 61.300 -0.100 0.000 1.350 246 I CB 0.418 38.396 38.000 -0.037 0.000 1.409 246 I HN 0.427 nan 8.210 nan 0.000 0.507 247 M N 5.717 125.238 119.600 -0.131 0.000 2.294 247 M HA 0.641 5.125 4.480 0.006 0.000 0.335 247 M C -0.577 175.708 176.300 -0.026 0.000 1.079 247 M CA -0.551 54.690 55.300 -0.100 0.000 0.982 247 M CB 1.660 34.129 32.600 -0.218 0.000 1.651 247 M HN 0.675 nan 8.290 nan 0.000 0.437 248 A N 3.335 126.189 122.820 0.057 0.000 2.301 248 A HA 0.419 4.743 4.320 0.006 0.000 0.298 248 A C -0.434 177.136 177.584 -0.023 0.000 1.185 248 A CA -0.391 51.650 52.037 0.007 0.000 0.830 248 A CB 0.606 19.595 19.000 -0.019 0.000 1.112 248 A HN 0.963 nan 8.150 nan 0.000 0.508 249 D N 0.889 121.265 120.400 -0.039 0.000 3.045 249 D HA 0.019 4.662 4.640 0.006 0.000 0.196 249 D C 1.254 177.527 176.300 -0.045 0.000 1.520 249 D CA 0.406 54.393 54.000 -0.022 0.000 1.466 249 D CB -0.230 40.580 40.800 0.016 0.000 1.152 249 D HN 0.408 nan 8.370 nan 0.000 0.254 250 E N 0.294 120.471 120.200 -0.038 0.000 2.267 250 E HA -0.029 4.324 4.350 0.006 0.000 0.197 250 E C 1.940 178.503 176.600 -0.063 0.000 0.998 250 E CA 0.895 57.264 56.400 -0.051 0.000 0.830 250 E CB -0.108 29.552 29.700 -0.066 0.000 0.751 250 E HN 0.081 nan 8.360 nan 0.000 0.491 251 S N -0.065 115.593 115.700 -0.071 0.000 2.447 251 S HA -0.009 4.465 4.470 0.006 0.000 0.233 251 S C 0.715 175.252 174.600 -0.105 0.000 1.006 251 S CA 0.492 58.647 58.200 -0.076 0.000 0.957 251 S CB -0.052 63.102 63.200 -0.077 0.000 0.773 251 S HN 0.189 nan 8.310 nan 0.000 0.507 252 I N 1.729 122.216 120.570 -0.137 0.000 2.310 252 I HA 0.210 4.384 4.170 0.006 0.000 0.287 252 I C 0.566 176.637 176.117 -0.077 0.000 1.073 252 I CA 0.069 61.275 61.300 -0.157 0.000 1.216 252 I CB 0.878 38.728 38.000 -0.249 0.000 1.415 252 I HN 0.065 nan 8.210 nan 0.000 0.480 253 E N 3.732 123.913 120.200 -0.032 0.000 2.538 253 E HA 0.146 4.500 4.350 0.006 0.000 0.207 253 E C -0.281 176.343 176.600 0.041 0.000 1.002 253 E CA -0.130 56.280 56.400 0.016 0.000 0.952 253 E CB 0.686 30.424 29.700 0.063 0.000 1.031 253 E HN 0.729 nan 8.360 nan 0.000 0.476 254 S N -2.524 113.183 115.700 0.012 0.000 2.633 254 S HA 0.097 4.570 4.470 0.006 0.000 0.271 254 S C 0.583 175.191 174.600 0.015 0.000 1.112 254 S CA -0.793 57.422 58.200 0.024 0.000 0.828 254 S CB 0.981 64.209 63.200 0.046 0.000 1.086 254 S HN -0.157 nan 8.310 nan 0.000 0.461 255 V N 1.463 121.396 119.914 0.031 0.000 2.332 255 V HA -0.156 3.968 4.120 0.006 0.000 0.248 255 V C 2.496 178.642 176.094 0.086 0.000 1.055 255 V CA 2.630 64.962 62.300 0.053 0.000 1.038 255 V CB -1.240 30.617 31.823 0.056 0.000 0.651 255 V HN 0.927 nan 8.190 nan 0.000 0.450 256 E N 0.040 120.288 120.200 0.080 0.000 2.153 256 E HA -0.187 4.166 4.350 0.006 0.000 0.194 256 E C 1.904 178.588 176.600 0.141 0.000 0.988 256 E CA 1.238 57.710 56.400 0.120 0.000 0.811 256 E CB -0.374 29.372 29.700 0.076 0.000 0.746 256 E HN 0.570 nan 8.360 nan 0.000 0.466 257 D N 0.007 120.445 120.400 0.064 0.000 2.144 257 D HA -0.099 4.544 4.640 0.006 0.000 0.199 257 D C 1.805 178.086 176.300 -0.032 0.000 0.984 257 D CA 1.389 55.398 54.000 0.016 0.000 0.834 257 D CB -0.303 40.480 40.800 -0.028 0.000 0.955 257 D HN 0.218 nan 8.370 nan 0.000 0.465 258 A N 0.176 122.966 122.820 -0.052 0.000 1.933 258 A HA -0.160 4.164 4.320 0.006 0.000 0.218 258 A C 2.083 179.753 177.584 0.143 0.000 1.175 258 A CA 0.927 52.896 52.037 -0.113 0.000 0.628 258 A CB -0.903 18.080 19.000 -0.028 0.000 0.814 258 A HN 0.259 nan 8.150 nan 0.000 0.444 259 F N 0.773 120.773 119.950 0.083 0.000 2.075 259 F HA -0.139 4.392 4.527 0.007 0.000 0.297 259 F C 2.708 178.564 175.800 0.094 0.000 1.113 259 F CA 1.832 59.894 58.000 0.102 0.000 1.218 259 F CB -0.683 38.356 39.000 0.064 0.000 0.984 259 F HN 0.222 nan 8.300 nan 0.000 0.472 260 S N 0.453 116.187 115.700 0.056 0.000 2.372 260 S HA -0.233 4.240 4.470 0.006 0.000 0.227 260 S C 2.171 176.716 174.600 -0.092 0.000 1.044 260 S CA 1.939 60.130 58.200 -0.015 0.000 1.050 260 S CB -0.673 62.576 63.200 0.083 0.000 0.901 260 S HN 0.449 nan 8.310 nan 0.000 0.447 261 L N 0.801 122.008 121.223 -0.027 0.000 2.017 261 L HA -0.072 4.272 4.340 0.006 0.000 0.208 261 L C 2.927 179.850 176.870 0.089 0.000 1.073 261 L CA 1.291 56.156 54.840 0.042 0.000 0.745 261 L CB -0.686 41.397 42.059 0.040 0.000 0.894 261 L HN 0.414 nan 8.230 nan 0.000 0.432 262 A N -0.071 122.824 122.820 0.124 0.000 1.902 262 A HA -0.175 4.149 4.320 0.006 0.000 0.217 262 A C 2.505 179.991 177.584 -0.164 0.000 1.181 262 A CA 1.724 53.762 52.037 0.002 0.000 0.623 262 A CB -0.737 18.251 19.000 -0.021 0.000 0.818 262 A HN 0.408 nan 8.150 nan 0.000 0.443 263 A N -0.463 122.147 122.820 -0.350 0.000 1.972 263 A HA -0.153 4.171 4.320 0.006 0.000 0.219 263 A C 1.706 179.202 177.584 -0.147 0.000 1.169 263 A CA 1.907 53.743 52.037 -0.335 0.000 0.635 263 A CB -0.430 18.255 19.000 -0.525 0.000 0.810 263 A HN 0.421 nan 8.150 nan 0.000 0.446 264 D N -1.370 118.969 120.400 -0.102 0.000 2.323 264 D HA 0.217 4.861 4.640 0.006 0.000 0.209 264 D C 1.327 177.612 176.300 -0.025 0.000 0.973 264 D CA 1.151 55.125 54.000 -0.044 0.000 0.874 264 D CB -0.056 40.731 40.800 -0.022 0.000 0.930 264 D HN 0.563 nan 8.370 nan 0.000 0.521 265 G N 0.583 109.369 108.800 -0.024 0.000 2.225 265 G HA2 -0.260 3.704 3.960 0.006 0.000 0.264 265 G HA3 -0.260 3.704 3.960 0.006 0.000 0.264 265 G C 0.989 175.894 174.900 0.010 0.000 1.060 265 G CA 0.493 45.585 45.100 -0.014 0.000 0.833 265 G HN 0.442 nan 8.290 nan 0.000 0.498 266 A N -1.314 121.528 122.820 0.037 0.000 2.208 266 A HA 0.779 5.103 4.320 0.006 0.000 0.209 266 A C 1.351 178.975 177.584 0.067 0.000 1.161 266 A CA 1.729 53.794 52.037 0.046 0.000 0.782 266 A CB 0.084 19.111 19.000 0.046 0.000 0.816 266 A HN 2.439 nan 8.150 nan 0.000 0.477 267 A N -1.614 121.258 122.820 0.087 0.000 2.590 267 A HA 0.521 4.845 4.320 0.006 0.000 0.294 267 A C 0.421 178.014 177.584 0.015 0.000 1.046 267 A CA 0.285 52.369 52.037 0.078 0.000 0.684 267 A CB -0.251 18.849 19.000 0.166 0.000 1.279 267 A HN 0.816 nan 8.150 nan 0.000 0.415 268 S N -0.108 115.573 115.700 -0.032 0.000 2.556 268 S HA 0.490 4.963 4.470 0.006 0.000 0.216 268 S C 0.277 174.820 174.600 -0.095 0.000 0.970 268 S CA 0.396 58.550 58.200 -0.076 0.000 0.912 268 S CB -0.516 62.658 63.200 -0.042 0.000 0.790 268 S HN 0.619 nan 8.310 nan 0.000 0.504 269 I N 1.316 121.851 120.570 -0.058 0.000 2.619 269 I HA 0.487 4.660 4.170 0.006 0.000 0.292 269 I C -1.458 174.789 176.117 0.217 0.000 1.100 269 I CA -0.865 60.427 61.300 -0.014 0.000 1.043 269 I CB 2.070 39.979 38.000 -0.152 0.000 1.239 269 I HN -0.024 nan 8.210 nan 0.000 0.420 270 F N 3.513 123.475 119.950 0.020 0.000 2.467 270 F HA 0.657 5.185 4.527 0.002 0.000 0.336 270 F C 0.557 176.400 175.800 0.072 0.000 1.123 270 F CA -1.488 56.529 58.000 0.028 0.000 0.964 270 F CB 1.882 40.901 39.000 0.032 0.000 1.136 270 F HN 0.435 nan 8.300 nan 0.000 0.447 271 A N 4.244 127.214 122.820 0.249 0.000 2.363 271 A HA 0.630 4.954 4.320 0.006 0.000 0.270 271 A C -0.959 176.707 177.584 0.136 0.000 1.121 271 A CA -0.353 51.840 52.037 0.260 0.000 0.800 271 A CB 0.301 19.446 19.000 0.241 0.000 1.052 271 A HN 0.510 nan 8.150 nan 0.000 0.493 272 L N 2.624 123.885 121.223 0.064 0.000 2.305 272 L HA 0.466 4.809 4.340 0.006 0.000 0.284 272 L C 0.010 176.960 176.870 0.133 0.000 1.013 272 L CA 0.085 54.968 54.840 0.071 0.000 0.819 272 L CB 1.032 43.096 42.059 0.008 0.000 1.227 272 L HN 0.703 nan 8.230 nan 0.000 0.417 273 K N 4.545 125.000 120.400 0.091 0.000 2.545 273 K HA 0.365 4.689 4.320 0.006 0.000 0.252 273 K C 1.244 177.826 176.600 -0.031 0.000 0.948 273 K CA -0.477 55.833 56.287 0.039 0.000 0.827 273 K CB 2.405 34.885 32.500 -0.034 0.000 1.128 273 K HN 0.556 nan 8.250 nan 0.000 0.429 274 I N -0.297 120.246 120.570 -0.045 0.000 2.264 274 I HA -0.212 3.961 4.170 0.006 0.000 0.248 274 I C 1.854 177.850 176.117 -0.203 0.000 1.111 274 I CA 1.553 62.793 61.300 -0.100 0.000 1.382 274 I CB -0.179 37.748 38.000 -0.121 0.000 1.060 274 I HN 0.533 nan 8.210 nan 0.000 0.418 275 A N 1.366 123.977 122.820 -0.347 0.000 2.015 275 A HA -0.076 4.247 4.320 0.006 0.000 0.219 275 A C 2.215 179.318 177.584 -0.802 0.000 1.163 275 A CA 1.224 52.813 52.037 -0.746 0.000 0.646 275 A CB -0.343 17.981 19.000 -1.126 0.000 0.806 275 A HN 0.378 nan 8.150 nan 0.000 0.448 276 K N -0.461 119.685 120.400 -0.424 0.000 2.361 276 K HA 0.074 4.398 4.320 0.006 0.000 0.196 276 K C 0.634 177.177 176.600 -0.094 0.000 1.039 276 K CA 0.979 57.142 56.287 -0.207 0.000 1.001 276 K CB -0.200 32.235 32.500 -0.110 0.000 0.795 276 K HN 0.582 nan 8.250 nan 0.000 0.495 277 N N -0.710 117.934 118.700 -0.094 0.000 2.407 277 N HA 0.049 4.793 4.740 0.006 0.000 0.182 277 N C 0.660 176.154 175.510 -0.026 0.000 1.079 277 N CA 0.781 53.810 53.050 -0.035 0.000 0.882 277 N CB 1.229 39.710 38.487 -0.011 0.000 1.106 277 N HN 0.233 nan 8.380 nan 0.000 0.461 278 G N -0.784 107.980 108.800 -0.060 0.000 2.151 278 G HA2 0.276 4.240 3.960 0.006 0.000 0.140 278 G HA3 0.276 4.240 3.960 0.006 0.000 0.140 278 G C 0.234 175.112 174.900 -0.036 0.000 1.020 278 G CA -0.222 44.857 45.100 -0.034 0.000 0.688 278 G HN 0.698 nan 8.290 nan 0.000 0.500 279 G N -1.414 107.351 108.800 -0.058 0.000 2.357 279 G HA2 0.425 4.389 3.960 0.006 0.000 0.643 279 G HA3 0.425 4.389 3.960 0.006 0.000 0.643 279 G C -1.502 173.370 174.900 -0.047 0.000 1.358 279 G CA 0.183 45.250 45.100 -0.054 0.000 0.986 279 G HN 0.249 nan 8.290 nan 0.000 0.620 280 P HA -0.103 nan 4.420 nan 0.000 0.216 280 P C 1.998 179.291 177.300 -0.012 0.000 1.153 280 P CA 1.580 64.645 63.100 -0.058 0.000 0.858 280 P CB 0.024 31.681 31.700 -0.072 0.000 0.789 281 R N -0.617 119.878 120.500 -0.009 0.000 2.066 281 R HA -0.024 4.319 4.340 0.006 0.000 0.232 281 R C 2.359 178.672 176.300 0.021 0.000 1.131 281 R CA 1.526 57.631 56.100 0.008 0.000 0.955 281 R CB -1.119 29.182 30.300 0.002 0.000 0.851 281 R HN 0.135 nan 8.270 nan 0.000 0.432 282 A N 0.608 123.437 122.820 0.014 0.000 1.902 282 A HA -0.123 4.200 4.320 0.006 0.000 0.217 282 A C 2.289 179.898 177.584 0.042 0.000 1.181 282 A CA 1.328 53.379 52.037 0.023 0.000 0.623 282 A CB -0.683 18.322 19.000 0.009 0.000 0.818 282 A HN 0.194 nan 8.150 nan 0.000 0.443 283 V N 0.036 119.978 119.914 0.047 0.000 2.594 283 V HA -0.177 3.947 4.120 0.006 0.000 0.253 283 V C 2.325 178.491 176.094 0.120 0.000 1.069 283 V CA 1.745 64.100 62.300 0.091 0.000 1.082 283 V CB -0.394 31.505 31.823 0.127 0.000 0.680 283 V HN 0.593 nan 8.190 nan 0.000 0.469 284 L N -0.887 120.394 121.223 0.097 0.000 2.156 284 L HA -0.102 4.242 4.340 0.006 0.000 0.208 284 L C 2.728 179.652 176.870 0.090 0.000 1.095 284 L CA 1.341 56.240 54.840 0.099 0.000 0.770 284 L CB -0.528 41.576 42.059 0.074 0.000 0.914 284 L HN 0.246 nan 8.230 nan 0.000 0.439 285 R N -0.727 119.820 120.500 0.079 0.000 2.092 285 R HA -0.116 4.228 4.340 0.006 0.000 0.231 285 R C 2.249 178.616 176.300 0.111 0.000 1.119 285 R CA 1.756 57.905 56.100 0.081 0.000 0.970 285 R CB -0.427 29.911 30.300 0.063 0.000 0.864 285 R HN 0.294 nan 8.270 nan 0.000 0.440 286 T N 0.770 115.396 114.554 0.120 0.000 2.777 286 T HA -0.097 4.257 4.350 0.006 0.000 0.266 286 T C 1.894 176.720 174.700 0.210 0.000 1.040 286 T CA 1.351 63.549 62.100 0.162 0.000 1.141 286 T CB -0.171 68.772 68.868 0.124 0.000 0.868 286 T HN 0.359 nan 8.240 nan 0.000 0.444 287 A N 1.151 124.072 122.820 0.168 0.000 1.933 287 A HA -0.174 4.150 4.320 0.006 0.000 0.218 287 A C 2.257 179.909 177.584 0.113 0.000 1.175 287 A CA 1.664 53.788 52.037 0.145 0.000 0.628 287 A CB -0.663 18.410 19.000 0.122 0.000 0.814 287 A HN 0.511 nan 8.150 nan 0.000 0.444 288 Q N -0.505 119.359 119.800 0.107 0.000 2.084 288 Q HA -0.093 4.251 4.340 0.006 0.000 0.202 288 Q C 1.998 178.056 176.000 0.097 0.000 0.978 288 Q CA 1.641 57.495 55.803 0.086 0.000 0.844 288 Q CB -0.314 28.471 28.738 0.078 0.000 0.898 288 Q HN 0.752 nan 8.270 nan 0.000 0.426 289 I N 0.330 120.984 120.570 0.140 0.000 2.163 289 I HA -0.325 3.849 4.170 0.006 0.000 0.243 289 I C 2.373 178.559 176.117 0.114 0.000 1.085 289 I CA 1.059 62.464 61.300 0.175 0.000 1.347 289 I CB -0.457 37.702 38.000 0.264 0.000 1.044 289 I HN 0.208 nan 8.210 nan 0.000 0.408 290 A N 0.224 123.109 122.820 0.108 0.000 1.908 290 A HA -0.226 4.098 4.320 0.006 0.000 0.218 290 A C 2.276 179.808 177.584 -0.086 0.000 1.181 290 A CA 1.636 53.616 52.037 -0.096 0.000 0.627 290 A CB -0.498 18.437 19.000 -0.108 0.000 0.818 290 A HN 0.358 nan 8.150 nan 0.000 0.445 291 E N -0.217 119.976 120.200 -0.012 0.000 2.077 291 E HA -0.152 4.202 4.350 0.006 0.000 0.193 291 E C 2.338 178.934 176.600 -0.008 0.000 0.989 291 E CA 1.267 57.661 56.400 -0.010 0.000 0.800 291 E CB -0.535 29.174 29.700 0.015 0.000 0.746 291 E HN 0.568 nan 8.360 nan 0.000 0.452 292 A N 0.817 123.647 122.820 0.016 0.000 2.070 292 A HA -0.038 4.285 4.320 0.006 0.000 0.220 292 A C 2.155 179.742 177.584 0.005 0.000 1.159 292 A CA 1.741 53.793 52.037 0.025 0.000 0.656 292 A CB -0.187 18.849 19.000 0.060 0.000 0.800 292 A HN 0.225 nan 8.150 nan 0.000 0.453 293 A N -2.249 120.555 122.820 -0.026 0.000 2.267 293 A HA 0.453 4.777 4.320 0.006 0.000 0.213 293 A C 1.631 179.167 177.584 -0.081 0.000 1.192 293 A CA 1.057 53.059 52.037 -0.059 0.000 0.851 293 A CB -0.527 18.415 19.000 -0.096 0.000 0.881 293 A HN 1.828 nan 8.150 nan 0.000 0.494 294 G N -0.466 108.287 108.800 -0.077 0.000 2.137 294 G HA2 -0.201 3.763 3.960 0.006 0.000 0.237 294 G HA3 -0.201 3.763 3.960 0.006 0.000 0.237 294 G C -0.013 174.823 174.900 -0.107 0.000 1.002 294 G CA 0.251 45.307 45.100 -0.072 0.000 0.702 294 G HN 0.435 nan 8.290 nan 0.000 0.515 295 I N 1.319 121.778 120.570 -0.185 0.000 2.396 295 I HA 0.509 4.683 4.170 0.006 0.000 0.292 295 I C 1.380 177.398 176.117 -0.166 0.000 0.999 295 I CA -0.220 60.913 61.300 -0.278 0.000 1.310 295 I CB 1.382 38.977 38.000 -0.675 0.000 1.404 295 I HN 0.154 nan 8.210 nan 0.000 0.496 296 G N 6.180 114.948 108.800 -0.053 0.000 2.527 296 G HA2 0.437 4.401 3.960 0.006 0.000 0.248 296 G HA3 0.437 4.401 3.960 0.006 0.000 0.248 296 G C -0.569 174.398 174.900 0.112 0.000 1.231 296 G CA -0.394 44.762 45.100 0.093 0.000 0.838 296 G HN 0.236 nan 8.290 nan 0.000 0.570 297 L N 0.330 121.642 121.223 0.149 0.000 2.334 297 L HA 0.606 4.950 4.340 0.006 0.000 0.270 297 L C -0.698 176.317 176.870 0.242 0.000 1.018 297 L CA -1.475 53.452 54.840 0.145 0.000 0.811 297 L CB 1.560 43.642 42.059 0.037 0.000 1.271 297 L HN 0.586 nan 8.230 nan 0.000 0.443 298 Y N -0.329 119.967 120.300 -0.007 0.000 2.401 298 Y HA 0.606 5.160 4.550 0.006 0.000 0.330 298 Y C 0.196 175.956 175.900 -0.233 0.000 1.071 298 Y CA -1.083 56.993 58.100 -0.039 0.000 1.049 298 Y CB 1.961 40.448 38.460 0.045 0.000 1.239 298 Y HN 0.617 nan 8.280 nan 0.000 0.437 299 G N 3.724 112.059 108.800 -0.776 0.000 2.444 299 G HA2 0.447 4.411 3.960 0.006 0.000 0.303 299 G HA3 0.447 4.411 3.960 0.006 0.000 0.303 299 G C 0.268 174.760 174.900 -0.680 0.000 1.032 299 G CA 0.163 44.614 45.100 -1.082 0.000 1.137 299 G HN 0.972 nan 8.290 nan 0.000 0.430 300 G N 0.314 108.915 108.800 -0.332 0.000 2.557 300 G HA2 0.618 4.581 3.960 0.006 0.000 0.292 300 G HA3 0.618 4.581 3.960 0.006 0.000 0.292 300 G C -0.432 174.449 174.900 -0.032 0.000 1.237 300 G CA -0.244 44.761 45.100 -0.158 0.000 0.978 300 G HN 0.731 nan 8.290 nan 0.000 0.498 301 T N -0.986 113.533 114.554 -0.059 0.000 2.853 301 T HA 0.419 4.773 4.350 0.006 0.000 0.311 301 T C -0.122 174.526 174.700 -0.087 0.000 1.307 301 T CA -0.647 61.397 62.100 -0.095 0.000 1.019 301 T CB 1.414 70.151 68.868 -0.218 0.000 1.264 301 T HN 0.196 nan 8.240 nan 0.000 0.497 302 M N 3.727 123.280 119.600 -0.078 0.000 2.673 302 M HA 0.387 4.871 4.480 0.006 0.000 0.334 302 M C 0.403 176.664 176.300 -0.066 0.000 1.211 302 M CA 0.109 55.388 55.300 -0.035 0.000 0.962 302 M CB -0.904 31.724 32.600 0.047 0.000 1.343 302 M HN 0.701 nan 8.290 nan 0.000 0.511 303 L N 1.739 122.880 121.223 -0.137 0.000 3.730 303 L HA -0.222 4.122 4.340 0.006 0.000 0.410 303 L C 0.570 177.395 176.870 -0.074 0.000 1.234 303 L CA 0.373 55.128 54.840 -0.142 0.000 0.911 303 L CB -1.787 40.206 42.059 -0.109 0.000 1.942 303 L HN 0.454 nan 8.230 nan 0.000 0.860 304 E N 0.773 120.934 120.200 -0.065 0.000 2.371 304 E HA 0.511 4.865 4.350 0.006 0.000 0.257 304 E C 0.903 177.497 176.600 -0.010 0.000 1.134 304 E CA 0.153 56.536 56.400 -0.027 0.000 0.919 304 E CB 1.101 30.786 29.700 -0.026 0.000 1.025 304 E HN 0.163 nan 8.360 nan 0.000 0.438 305 G N 0.452 109.256 108.800 0.007 0.000 2.489 305 G HA2 0.021 3.985 3.960 0.006 0.000 0.271 305 G HA3 0.021 3.985 3.960 0.006 0.000 0.271 305 G C 0.820 175.741 174.900 0.035 0.000 1.427 305 G CA -0.047 45.069 45.100 0.027 0.000 1.057 305 G HN 0.460 nan 8.290 nan 0.000 0.532 306 S N -0.743 114.987 115.700 0.050 0.000 2.383 306 S HA -0.137 4.337 4.470 0.006 0.000 0.229 306 S C 2.367 176.982 174.600 0.025 0.000 1.030 306 S CA 1.225 59.454 58.200 0.048 0.000 1.002 306 S CB -0.362 62.871 63.200 0.055 0.000 0.829 306 S HN 0.430 nan 8.310 nan 0.000 0.467 307 I N 1.191 121.771 120.570 0.018 0.000 2.163 307 I HA -0.122 4.051 4.170 0.006 0.000 0.240 307 I C 2.772 178.881 176.117 -0.013 0.000 1.081 307 I CA 1.287 62.589 61.300 0.004 0.000 1.353 307 I CB -0.980 37.023 38.000 0.005 0.000 1.054 307 I HN 0.363 nan 8.210 nan 0.000 0.407 308 G N 0.133 108.923 108.800 -0.017 0.000 2.418 308 G HA2 -0.208 3.756 3.960 0.006 0.000 0.217 308 G HA3 -0.208 3.756 3.960 0.006 0.000 0.217 308 G C 1.670 176.533 174.900 -0.063 0.000 1.158 308 G CA 1.371 46.446 45.100 -0.042 0.000 0.771 308 G HN 0.285 nan 8.290 nan 0.000 0.545 309 T N 1.474 116.005 114.554 -0.038 0.000 2.708 309 T HA -0.039 4.315 4.350 0.006 0.000 0.266 309 T C 2.290 176.950 174.700 -0.067 0.000 1.037 309 T CA 0.660 62.735 62.100 -0.042 0.000 1.146 309 T CB -0.136 68.743 68.868 0.017 0.000 0.865 309 T HN -0.011 nan 8.240 nan 0.000 0.435 310 L N 0.961 122.168 121.223 -0.026 0.000 2.093 310 L HA 0.079 4.423 4.340 0.006 0.000 0.208 310 L C 2.920 179.829 176.870 0.065 0.000 1.085 310 L CA 1.477 56.330 54.840 0.022 0.000 0.755 310 L CB -1.705 40.403 42.059 0.081 0.000 0.904 310 L HN 0.248 nan 8.230 nan 0.000 0.435 311 A N -0.701 122.103 122.820 -0.026 0.000 1.902 311 A HA -0.180 4.144 4.320 0.006 0.000 0.217 311 A C 2.569 180.039 177.584 -0.191 0.000 1.181 311 A CA 1.991 53.982 52.037 -0.077 0.000 0.623 311 A CB -0.485 18.459 19.000 -0.093 0.000 0.818 311 A HN 0.436 nan 8.150 nan 0.000 0.443 312 S N -0.055 115.459 115.700 -0.310 0.000 2.345 312 S HA -0.019 4.455 4.470 0.006 0.000 0.220 312 S C 2.383 176.362 174.600 -1.035 0.000 1.031 312 S CA 1.196 58.967 58.200 -0.716 0.000 0.996 312 S CB -0.618 62.233 63.200 -0.582 0.000 0.882 312 S HN 0.819 nan 8.310 nan 0.000 0.445 313 A N 1.403 123.899 122.820 -0.540 0.000 1.917 313 A HA -0.221 4.103 4.320 0.006 0.000 0.219 313 A C 1.774 179.198 177.584 -0.267 0.000 1.182 313 A CA 2.063 53.902 52.037 -0.331 0.000 0.633 313 A CB -1.090 17.790 19.000 -0.200 0.000 0.819 313 A HN 0.599 nan 8.150 nan 0.000 0.448 314 H N -0.720 118.226 119.070 -0.208 0.000 2.422 314 H HA 0.030 4.590 4.556 0.006 0.000 0.298 314 H C 2.357 177.618 175.328 -0.112 0.000 1.098 314 H CA 1.573 57.546 56.048 -0.126 0.000 1.315 314 H CB -0.027 29.670 29.762 -0.108 0.000 1.382 314 H HN 0.556 nan 8.280 nan 0.000 0.523 315 A N 0.184 122.944 122.820 -0.100 0.000 1.898 315 A HA -0.075 4.249 4.320 0.006 0.000 0.214 315 A C 1.603 179.262 177.584 0.125 0.000 1.183 315 A CA 0.911 52.923 52.037 -0.041 0.000 0.622 315 A CB -0.479 18.445 19.000 -0.128 0.000 0.824 315 A HN 0.274 nan 8.150 nan 0.000 0.444 316 F N 0.557 120.503 119.950 -0.006 0.000 2.216 316 F HA -0.050 4.481 4.527 0.007 0.000 0.300 316 F C 1.993 177.778 175.800 -0.025 0.000 1.085 316 F CA 0.122 58.111 58.000 -0.019 0.000 1.326 316 F CB -1.186 37.790 39.000 -0.039 0.000 1.027 316 F HN 0.093 nan 8.300 nan 0.000 0.497 317 L N -0.045 121.254 121.223 0.127 0.000 2.187 317 L HA -0.201 4.143 4.340 0.006 0.000 0.213 317 L C 2.359 179.259 176.870 0.050 0.000 1.100 317 L CA 1.829 56.696 54.840 0.046 0.000 0.765 317 L CB -1.141 40.902 42.059 -0.026 0.000 0.904 317 L HN 0.292 nan 8.230 nan 0.000 0.437 318 T N -2.957 111.639 114.554 0.070 0.000 3.081 318 T HA 0.115 4.468 4.350 0.006 0.000 0.255 318 T C 0.810 175.545 174.700 0.058 0.000 1.113 318 T CA -0.156 61.979 62.100 0.058 0.000 1.082 318 T CB -0.283 68.621 68.868 0.060 0.000 0.939 318 T HN 0.066 nan 8.240 nan 0.000 0.506 319 L N 2.105 123.373 121.223 0.075 0.000 2.416 319 L HA 0.360 4.704 4.340 0.006 0.000 0.272 319 L C 2.106 178.993 176.870 0.028 0.000 1.161 319 L CA -0.629 54.245 54.840 0.056 0.000 0.845 319 L CB 0.646 42.743 42.059 0.062 0.000 1.119 319 L HN 0.124 nan 8.230 nan 0.000 0.464 320 R N 2.121 122.632 120.500 0.019 0.000 2.083 320 R HA -0.112 4.232 4.340 0.006 0.000 0.237 320 R C 0.482 176.777 176.300 -0.008 0.000 1.137 320 R CA 1.508 57.611 56.100 0.005 0.000 0.951 320 R CB 0.248 30.550 30.300 0.003 0.000 0.851 320 R HN 0.761 nan 8.270 nan 0.000 0.434 321 Q N -0.588 119.204 119.800 -0.012 0.000 2.353 321 Q HA 0.320 4.664 4.340 0.006 0.000 0.275 321 Q C -2.020 173.959 176.000 -0.035 0.000 1.029 321 Q CA -0.571 55.213 55.803 -0.032 0.000 0.848 321 Q CB 1.917 30.628 28.738 -0.044 0.000 1.390 321 Q HN 0.202 nan 8.270 nan 0.000 0.401 322 L N 3.485 124.677 121.223 -0.051 0.000 2.433 322 L HA 0.325 4.669 4.340 0.006 0.000 0.256 322 L C 0.821 177.644 176.870 -0.078 0.000 1.063 322 L CA -0.170 54.645 54.840 -0.043 0.000 0.922 322 L CB 1.495 43.514 42.059 -0.067 0.000 1.238 322 L HN 0.808 nan 8.230 nan 0.000 0.466 323 T N -0.048 114.427 114.554 -0.132 0.000 2.778 323 T HA -0.188 4.166 4.350 0.006 0.000 0.269 323 T C 0.716 175.007 174.700 -0.682 0.000 1.050 323 T CA 1.967 63.810 62.100 -0.427 0.000 1.137 323 T CB -0.170 68.378 68.868 -0.533 0.000 0.860 323 T HN 0.552 nan 8.240 nan 0.000 0.468 324 W N 0.890 122.221 121.300 0.051 0.000 2.966 324 W HA 0.521 5.185 4.660 0.006 0.000 0.406 324 W C 1.358 178.001 176.519 0.207 0.000 1.027 324 W CA -0.177 57.228 57.345 0.100 0.000 1.930 324 W CB -0.209 29.284 29.460 0.055 0.000 1.144 324 W HN 0.468 nan 8.180 nan 0.000 0.626 325 G N 1.319 110.237 108.800 0.198 0.000 2.562 325 G HA2 -0.119 3.845 3.960 0.006 0.000 0.250 325 G HA3 -0.119 3.845 3.960 0.006 0.000 0.250 325 G C 0.120 175.024 174.900 0.008 0.000 1.269 325 G CA 0.445 45.616 45.100 0.119 0.000 0.919 325 G HN 0.455 nan 8.290 nan 0.000 0.574 326 T N -2.907 111.612 114.554 -0.059 0.000 2.778 326 T HA 0.732 5.086 4.350 0.006 0.000 0.293 326 T C -0.088 174.534 174.700 -0.130 0.000 1.144 326 T CA 0.453 62.364 62.100 -0.315 0.000 1.010 326 T CB 2.028 70.823 68.868 -0.122 0.000 1.325 326 T HN 1.608 nan 8.240 nan 0.000 0.515 327 E N 0.859 120.960 120.200 -0.164 0.000 3.575 327 E HA 0.308 4.662 4.350 0.006 0.000 0.201 327 E C -0.344 176.211 176.600 -0.075 0.000 0.999 327 E CA -0.521 55.939 56.400 0.100 0.000 1.315 327 E CB -0.069 29.714 29.700 0.139 0.000 1.146 327 E HN 0.489 nan 8.360 nan 0.000 0.453 328 L N 2.307 123.571 121.223 0.068 0.000 2.533 328 L HA 0.236 4.580 4.340 0.006 0.000 0.239 328 L C -0.000 177.015 176.870 0.242 0.000 1.376 328 L CA -0.322 54.555 54.840 0.061 0.000 1.240 328 L CB -0.737 41.406 42.059 0.139 0.000 1.487 328 L HN 0.435 nan 8.230 nan 0.000 0.419 329 F N -2.719 117.368 119.950 0.229 0.000 2.661 329 F HA 0.420 4.951 4.527 0.006 0.000 0.306 329 F C 1.743 177.644 175.800 0.169 0.000 1.094 329 F CA -0.523 57.608 58.000 0.219 0.000 1.254 329 F CB -0.802 38.362 39.000 0.274 0.000 1.040 329 F HN 0.110 nan 8.300 nan 0.000 0.562 330 G N 3.025 111.753 108.800 -0.120 0.000 2.624 330 G HA2 -0.295 3.669 3.960 0.006 0.000 0.221 330 G HA3 -0.295 3.669 3.960 0.006 0.000 0.221 330 G C -0.334 174.635 174.900 0.115 0.000 1.169 330 G CA 1.422 46.495 45.100 -0.045 0.000 0.771 330 G HN 0.388 nan 8.290 nan 0.000 0.598 331 P HA 0.022 nan 4.420 nan 0.000 0.226 331 P C 1.874 179.274 177.300 0.167 0.000 1.153 331 P CA 0.578 63.773 63.100 0.158 0.000 0.777 331 P CB -0.103 31.714 31.700 0.195 0.000 0.794 332 L N -1.355 119.980 121.223 0.187 0.000 2.456 332 L HA -0.076 4.267 4.340 0.006 0.000 0.224 332 L C 1.978 178.978 176.870 0.217 0.000 1.148 332 L CA 0.488 55.411 54.840 0.139 0.000 0.825 332 L CB -0.599 41.488 42.059 0.047 0.000 0.937 332 L HN -0.053 nan 8.230 nan 0.000 0.450 333 L N -0.636 120.731 121.223 0.240 0.000 2.558 333 L HA 0.134 4.477 4.340 0.006 0.000 0.225 333 L C 0.540 177.471 176.870 0.101 0.000 1.128 333 L CA 0.815 55.771 54.840 0.193 0.000 0.868 333 L CB -0.290 41.877 42.059 0.181 0.000 1.006 333 L HN 0.071 nan 8.230 nan 0.000 0.454 334 L N -1.052 120.217 121.223 0.078 0.000 2.309 334 L HA 0.268 4.612 4.340 0.006 0.000 0.282 334 L C 1.584 178.465 176.870 0.018 0.000 1.036 334 L CA -0.189 54.663 54.840 0.020 0.000 0.806 334 L CB 1.431 43.489 42.059 -0.002 0.000 1.220 334 L HN 0.077 nan 8.230 nan 0.000 0.429 335 T N -1.879 112.667 114.554 -0.013 0.000 3.043 335 T HA 0.140 4.494 4.350 0.006 0.000 0.263 335 T C 0.540 175.239 174.700 -0.002 0.000 1.094 335 T CA 0.464 62.565 62.100 0.003 0.000 1.127 335 T CB 0.172 69.041 68.868 0.002 0.000 0.905 335 T HN 0.588 nan 8.240 nan 0.000 0.490 336 E N -0.212 119.954 120.200 -0.057 0.000 2.408 336 E HA 0.502 4.856 4.350 0.006 0.000 0.275 336 E C -1.175 175.388 176.600 -0.063 0.000 0.935 336 E CA -0.730 55.649 56.400 -0.035 0.000 0.775 336 E CB 2.516 32.197 29.700 -0.031 0.000 1.277 336 E HN 0.317 nan 8.360 nan 0.000 0.455 337 E N 1.313 121.529 120.200 0.027 0.000 2.410 337 E HA 0.283 4.636 4.350 0.006 0.000 0.269 337 E C 0.092 176.755 176.600 0.106 0.000 0.937 337 E CA -0.656 55.767 56.400 0.039 0.000 0.793 337 E CB 1.673 31.405 29.700 0.054 0.000 1.314 337 E HN 0.439 nan 8.360 nan 0.000 0.447 338 I N -0.840 119.790 120.570 0.100 0.000 3.891 338 I HA 0.298 4.471 4.170 0.006 0.000 0.331 338 I C -0.279 175.888 176.117 0.083 0.000 1.406 338 I CA 0.061 61.437 61.300 0.126 0.000 1.139 338 I CB -0.030 38.051 38.000 0.135 0.000 1.056 338 I HN 0.046 nan 8.210 nan 0.000 0.399 339 V N 1.746 121.702 119.914 0.070 0.000 2.919 339 V HA 0.424 4.547 4.120 0.006 0.000 0.316 339 V C 1.017 177.143 176.094 0.053 0.000 1.077 339 V CA -0.481 61.850 62.300 0.053 0.000 0.977 339 V CB 2.223 34.074 31.823 0.046 0.000 1.039 339 V HN 0.209 nan 8.190 nan 0.000 0.441 340 N N 1.364 120.089 118.700 0.041 0.000 2.305 340 N HA 0.017 4.760 4.740 0.006 0.000 0.179 340 N C 0.101 175.633 175.510 0.037 0.000 1.019 340 N CA 0.462 53.535 53.050 0.038 0.000 0.869 340 N CB 0.080 38.584 38.487 0.029 0.000 1.000 340 N HN 0.643 nan 8.380 nan 0.000 0.431 341 E N 1.830 122.050 120.200 0.033 0.000 2.217 341 E HA 0.245 4.598 4.350 0.006 0.000 0.279 341 E C -2.273 174.350 176.600 0.038 0.000 1.068 341 E CA -1.464 54.954 56.400 0.030 0.000 0.882 341 E CB 0.581 30.294 29.700 0.023 0.000 1.039 341 E HN 0.192 nan 8.360 nan 0.000 0.418 342 P HA 0.151 nan 4.420 nan 0.000 0.275 342 P C -2.443 174.888 177.300 0.051 0.000 1.227 342 P CA -1.184 61.951 63.100 0.059 0.000 0.781 342 P CB 0.172 31.905 31.700 0.056 0.000 0.906 343 P HA 0.214 nan 4.420 nan 0.000 0.275 343 P C -0.864 176.417 177.300 -0.033 0.000 1.227 343 P CA -0.252 62.852 63.100 0.006 0.000 0.781 343 P CB 0.526 32.288 31.700 0.103 0.000 0.906 344 Q N 1.817 121.523 119.800 -0.158 0.000 2.503 344 Q HA 0.277 4.620 4.340 0.006 0.000 0.227 344 Q C -0.991 174.939 176.000 -0.117 0.000 1.109 344 Q CA -0.181 55.568 55.803 -0.090 0.000 0.922 344 Q CB 0.125 28.831 28.738 -0.053 0.000 1.249 344 Q HN 0.461 nan 8.270 nan 0.000 0.530 345 Y N 1.701 122.051 120.300 0.082 0.000 2.330 345 Y HA 0.528 5.082 4.550 0.006 0.000 0.336 345 Y C 0.286 176.196 175.900 0.016 0.000 1.036 345 Y CA -0.640 57.499 58.100 0.065 0.000 1.125 345 Y CB 1.325 39.785 38.460 -0.001 0.000 1.194 345 Y HN 0.393 nan 8.280 nan 0.000 0.469 346 R N 2.611 123.223 120.500 0.187 0.000 2.736 346 R HA 0.134 4.478 4.340 0.006 0.000 0.250 346 R C -1.820 174.483 176.300 0.006 0.000 1.098 346 R CA -0.499 55.620 56.100 0.031 0.000 0.978 346 R CB 1.157 31.425 30.300 -0.054 0.000 1.263 346 R HN 0.828 nan 8.270 nan 0.000 0.460 347 D N 5.148 125.379 120.400 -0.282 0.000 2.689 347 D HA -0.209 4.434 4.640 0.006 0.000 0.237 347 D C -0.308 175.718 176.300 -0.457 0.000 1.148 347 D CA 1.735 55.411 54.000 -0.539 0.000 0.656 347 D CB -0.895 39.780 40.800 -0.208 0.000 1.050 347 D HN 0.623 nan 8.370 nan 0.000 0.426 348 F N -2.996 116.927 119.950 -0.044 0.000 2.840 348 F HA -0.321 4.210 4.527 0.007 0.000 0.310 348 F C 1.033 176.826 175.800 -0.012 0.000 0.688 348 F CA 1.093 59.058 58.000 -0.060 0.000 1.286 348 F CB -2.115 36.864 39.000 -0.034 0.000 1.612 348 F HN 0.276 nan 8.300 nan 0.000 0.335 349 Q N -0.357 119.497 119.800 0.090 0.000 2.544 349 Q HA 0.780 5.124 4.340 0.006 0.000 0.291 349 Q C -1.236 174.704 176.000 -0.100 0.000 1.068 349 Q CA -1.486 54.300 55.803 -0.030 0.000 0.785 349 Q CB 2.724 31.315 28.738 -0.245 0.000 1.481 349 Q HN 0.113 nan 8.270 nan 0.000 0.430 350 L N 0.967 122.064 121.223 -0.210 0.000 2.296 350 L HA 0.427 4.771 4.340 0.006 0.000 0.286 350 L C -1.442 175.189 176.870 -0.399 0.000 1.023 350 L CA -0.113 54.508 54.840 -0.366 0.000 0.812 350 L CB 0.805 42.677 42.059 -0.312 0.000 1.223 350 L HN 0.536 nan 8.230 nan 0.000 0.421 351 H N 5.537 124.477 119.070 -0.217 0.000 2.458 351 H HA 0.606 5.166 4.556 0.007 0.000 0.330 351 H C -0.608 174.624 175.328 -0.160 0.000 1.111 351 H CA -0.493 55.467 56.048 -0.146 0.000 1.245 351 H CB 1.281 30.974 29.762 -0.115 0.000 1.456 351 H HN 0.412 nan 8.280 nan 0.000 0.488 352 I N 5.197 125.731 120.570 -0.059 0.000 2.382 352 I HA 0.231 4.405 4.170 0.006 0.000 0.286 352 I C -2.254 173.819 176.117 -0.072 0.000 1.002 352 I CA -2.541 58.684 61.300 -0.125 0.000 1.135 352 I CB 1.208 39.048 38.000 -0.266 0.000 1.288 352 I HN 0.455 nan 8.210 nan 0.000 0.448 353 P HA 0.300 nan 4.420 nan 0.000 0.274 353 P C -0.134 177.184 177.300 0.030 0.000 1.256 353 P CA -0.473 62.629 63.100 0.002 0.000 0.795 353 P CB 1.092 32.800 31.700 0.013 0.000 1.038 354 R N -0.392 120.128 120.500 0.033 0.000 2.586 354 R HA 0.165 4.509 4.340 0.006 0.000 0.306 354 R C 0.514 176.842 176.300 0.046 0.000 1.079 354 R CA -0.075 56.053 56.100 0.048 0.000 1.083 354 R CB -0.299 30.018 30.300 0.027 0.000 1.306 354 R HN 0.582 nan 8.270 nan 0.000 0.567 355 T N -0.958 113.626 114.554 0.049 0.000 2.828 355 T HA 0.263 4.617 4.350 0.006 0.000 0.290 355 T C -2.364 172.350 174.700 0.024 0.000 1.019 355 T CA -1.872 60.246 62.100 0.030 0.000 1.031 355 T CB 1.124 70.007 68.868 0.025 0.000 1.001 355 T HN -0.164 nan 8.240 nan 0.000 0.531 356 P HA 0.331 nan 4.420 nan 0.000 0.266 356 P C 1.143 178.415 177.300 -0.046 0.000 1.195 356 P CA 1.357 64.446 63.100 -0.018 0.000 0.768 356 P CB 0.069 31.759 31.700 -0.016 0.000 0.838 357 G N 2.144 110.891 108.800 -0.088 0.000 2.536 357 G HA2 -0.306 3.657 3.960 0.006 0.000 0.280 357 G HA3 -0.306 3.657 3.960 0.006 0.000 0.280 357 G C 0.608 175.347 174.900 -0.269 0.000 1.152 357 G CA 0.162 45.175 45.100 -0.146 0.000 0.970 357 G HN 0.485 nan 8.290 nan 0.000 0.549 358 L N 2.211 123.315 121.223 -0.198 0.000 2.567 358 L HA 0.412 4.756 4.340 0.006 0.000 0.225 358 L C 2.166 179.044 176.870 0.014 0.000 1.119 358 L CA 0.857 55.593 54.840 -0.172 0.000 0.871 358 L CB -0.152 41.851 42.059 -0.094 0.000 1.036 358 L HN 2.003 nan 8.230 nan 0.000 0.459 359 G N 1.100 109.898 108.800 -0.004 0.000 2.221 359 G HA2 -0.253 3.711 3.960 0.006 0.000 0.265 359 G HA3 -0.253 3.711 3.960 0.006 0.000 0.265 359 G C -0.477 174.436 174.900 0.023 0.000 1.041 359 G CA -0.015 45.101 45.100 0.027 0.000 0.807 359 G HN 0.115 nan 8.290 nan 0.000 0.502 360 L N 0.473 121.702 121.223 0.010 0.000 2.401 360 L HA 0.874 5.217 4.340 0.006 0.000 0.266 360 L C 0.474 177.348 176.870 0.007 0.000 0.991 360 L CA -0.339 54.509 54.840 0.013 0.000 0.818 360 L CB 2.252 44.320 42.059 0.015 0.000 1.321 360 L HN 0.514 nan 8.230 nan 0.000 0.413 361 T N 0.191 114.753 114.554 0.013 0.000 2.893 361 T HA 0.749 5.103 4.350 0.006 0.000 0.291 361 T C -0.187 174.525 174.700 0.020 0.000 1.028 361 T CA -0.818 61.289 62.100 0.012 0.000 0.995 361 T CB 1.092 69.967 68.868 0.011 0.000 1.051 361 T HN 0.333 nan 8.240 nan 0.000 0.470 362 L N 1.701 122.936 121.223 0.020 0.000 2.453 362 L HA 0.378 4.722 4.340 0.006 0.000 0.261 362 L C 0.510 177.398 176.870 0.030 0.000 1.179 362 L CA -0.574 54.283 54.840 0.028 0.000 0.813 362 L CB 0.488 42.563 42.059 0.026 0.000 1.110 362 L HN 0.771 nan 8.230 nan 0.000 0.466 363 D N 1.582 122.006 120.400 0.041 0.000 2.485 363 D HA 0.039 4.683 4.640 0.006 0.000 0.229 363 D C 0.776 177.096 176.300 0.035 0.000 1.101 363 D CA -0.253 53.771 54.000 0.041 0.000 0.906 363 D CB 0.932 41.769 40.800 0.062 0.000 1.019 363 D HN 0.436 nan 8.370 nan 0.000 0.516 364 E N 1.914 122.127 120.200 0.020 0.000 2.171 364 E HA -0.209 4.145 4.350 0.006 0.000 0.197 364 E C 1.573 178.172 176.600 -0.002 0.000 0.997 364 E CA 1.051 57.457 56.400 0.011 0.000 0.810 364 E CB 0.305 30.008 29.700 0.005 0.000 0.738 364 E HN 0.637 nan 8.360 nan 0.000 0.467 365 Q N 0.409 120.205 119.800 -0.007 0.000 1.993 365 Q HA -0.092 4.252 4.340 0.006 0.000 0.202 365 Q C 2.266 178.225 176.000 -0.068 0.000 0.984 365 Q CA 1.200 56.983 55.803 -0.034 0.000 0.837 365 Q CB -0.510 28.212 28.738 -0.027 0.000 0.902 365 Q HN 0.314 nan 8.270 nan 0.000 0.423 366 R N 0.293 120.775 120.500 -0.030 0.000 2.115 366 R HA -0.090 4.254 4.340 0.006 0.000 0.230 366 R C 2.351 178.667 176.300 0.027 0.000 1.111 366 R CA 0.671 56.751 56.100 -0.033 0.000 0.976 366 R CB -0.372 30.036 30.300 0.181 0.000 0.870 366 R HN 0.105 nan 8.270 nan 0.000 0.445 367 L N 0.881 122.140 121.223 0.060 0.000 2.017 367 L HA -0.077 4.267 4.340 0.006 0.000 0.208 367 L C 2.277 179.161 176.870 0.023 0.000 1.073 367 L CA 1.935 56.822 54.840 0.078 0.000 0.745 367 L CB -0.756 41.337 42.059 0.056 0.000 0.894 367 L HN 0.120 nan 8.230 nan 0.000 0.432 368 A N -0.263 122.543 122.820 -0.024 0.000 1.883 368 A HA -0.302 4.022 4.320 0.006 0.000 0.217 368 A C 2.546 180.072 177.584 -0.097 0.000 1.186 368 A CA 2.143 54.152 52.037 -0.047 0.000 0.624 368 A CB -0.707 18.261 19.000 -0.053 0.000 0.822 368 A HN 0.534 nan 8.150 nan 0.000 0.444 369 R N -1.744 118.629 120.500 -0.211 0.000 2.066 369 R HA -0.088 4.255 4.340 0.006 0.000 0.232 369 R C 1.287 177.352 176.300 -0.392 0.000 1.131 369 R CA 1.869 57.731 56.100 -0.397 0.000 0.955 369 R CB -0.326 29.552 30.300 -0.702 0.000 0.851 369 R HN 0.442 nan 8.270 nan 0.000 0.432 370 F N 0.749 120.707 119.950 0.014 0.000 2.765 370 F HA 0.385 4.916 4.527 0.006 0.000 0.302 370 F C 1.110 176.919 175.800 0.014 0.000 1.111 370 F CA -0.233 57.776 58.000 0.015 0.000 1.359 370 F CB -0.437 38.574 39.000 0.018 0.000 1.097 370 F HN 0.067 nan 8.300 nan 0.000 0.577 371 A N 0.880 123.773 122.820 0.122 0.000 2.387 371 A HA 0.395 4.719 4.320 0.006 0.000 0.251 371 A C 0.713 178.339 177.584 0.070 0.000 1.113 371 A CA -0.113 51.974 52.037 0.083 0.000 0.794 371 A CB 0.287 19.313 19.000 0.043 0.000 1.069 371 A HN 0.372 nan 8.150 nan 0.000 0.506 372 R N 0.000 120.532 120.500 0.053 0.000 2.786 372 R HA 0.000 4.344 4.340 0.006 0.000 0.208 372 R CA 0.000 56.126 56.100 0.043 0.000 0.921 372 R CB 0.000 30.326 30.300 0.043 0.000 0.687 372 R HN 0.000 nan 8.270 nan 0.000 0.535