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 2v8h_1_B DATA FIRST_RESID 28 DATA SEQUENCE LSIASGRLNQ TILETGSQFG GVARWGQESH EFGMRRLAGT ALDGAMRDWF DATA SEQUENCE TNECESLGCK VKVDKIGNMF AVYPGKNGGK PTATGSHLDT QPEAGKYDGI DATA SEQUENCE LGVLAGLEVL RTFKDNNYVP NYDVCVVVWF NAEGARFARS CTGSSVWSHD DATA SEQUENCE LSLEEAYGLM SVGEDKPESV YDSLKNIGYI GDTPASYKEN EIDAHFELHI DATA SEQUENCE EQGPILEDEN KAIGIVTGVQ AYNWQKVTVH GVGAHAGTTP WRLRKDALLM DATA SEQUENCE SSKMIVAASE IAQRHNGLFT CGIIDAKPYS VNIIPGEVSF TLDFRHPSDD DATA SEQUENCE VLATMLKEAA AEFDRLIKIN DGGALSYESE TLQVSPAVNF HEVCIECVSR DATA SEQUENCE SAFAQFKKDQ VRQIWSGAGH DSCQTAPHVP TSMIFIPSKD GLSHNYYEYS DATA SEQUENCE SPEEIENGFK VLLQAIINYD NYRVIRGHQF P 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 28 L HA 0.000 nan 4.340 nan 0.000 0.249 28 L C 0.000 176.876 176.870 0.011 0.000 1.165 28 L CA 0.000 54.837 54.840 -0.004 0.000 0.813 28 L CB 0.000 42.031 42.059 -0.046 0.000 0.961 29 S N 2.108 117.829 115.700 0.035 0.000 2.525 29 S HA 0.831 5.354 4.470 0.089 0.000 0.278 29 S C -0.375 174.260 174.600 0.059 0.000 1.234 29 S CA -0.741 57.482 58.200 0.039 0.000 1.058 29 S CB 1.418 64.641 63.200 0.038 0.000 0.983 29 S HN 0.538 nan 8.310 nan 0.000 0.495 30 I N -0.664 119.949 120.570 0.071 0.000 2.562 30 I HA 0.822 5.045 4.170 0.089 0.000 0.301 30 I C 0.013 176.165 176.117 0.057 0.000 1.003 30 I CA -1.550 59.815 61.300 0.107 0.000 1.127 30 I CB 1.581 39.716 38.000 0.226 0.000 1.304 30 I HN 0.681 nan 8.210 nan 0.000 0.446 31 A N 4.073 126.908 122.820 0.025 0.000 2.457 31 A HA 0.300 4.673 4.320 0.089 0.000 0.298 31 A C 0.427 178.000 177.584 -0.018 0.000 1.288 31 A CA -0.140 51.895 52.037 -0.003 0.000 0.956 31 A CB -0.348 18.639 19.000 -0.022 0.000 1.135 31 A HN 0.766 nan 8.150 nan 0.000 0.535 32 S N 2.382 118.084 115.700 0.002 0.000 2.481 32 S HA 0.427 4.951 4.470 0.089 0.000 0.282 32 S C 1.508 176.101 174.600 -0.011 0.000 1.243 32 S CA 1.019 59.221 58.200 0.004 0.000 1.078 32 S CB -0.217 62.993 63.200 0.016 0.000 0.916 32 S HN 2.212 nan 8.310 nan 0.000 0.495 33 G N 4.754 113.539 108.800 -0.026 0.000 2.195 33 G HA2 -0.291 3.723 3.960 0.089 0.000 0.246 33 G HA3 -0.291 3.723 3.960 0.089 0.000 0.246 33 G C 0.935 175.807 174.900 -0.046 0.000 0.984 33 G CA 0.542 45.625 45.100 -0.027 0.000 0.633 33 G HN 0.697 nan 8.290 nan 0.000 0.525 34 R N -0.075 120.383 120.500 -0.071 0.000 2.075 34 R HA 0.122 4.515 4.340 0.089 0.000 0.232 34 R C 2.552 178.793 176.300 -0.098 0.000 1.126 34 R CA 1.901 57.957 56.100 -0.073 0.000 0.963 34 R CB -0.306 29.947 30.300 -0.078 0.000 0.858 34 R HN 0.545 nan 8.270 nan 0.000 0.435 35 L N 1.544 122.656 121.223 -0.184 0.000 2.012 35 L HA -0.188 4.206 4.340 0.089 0.000 0.210 35 L C 1.808 178.627 176.870 -0.085 0.000 1.073 35 L CA 2.237 56.964 54.840 -0.188 0.000 0.748 35 L CB -1.050 40.811 42.059 -0.329 0.000 0.891 35 L HN 0.243 nan 8.230 nan 0.000 0.431 36 N N -0.851 117.812 118.700 -0.061 0.000 2.069 36 N HA -0.293 4.500 4.740 0.089 0.000 0.191 36 N C 2.015 177.523 175.510 -0.003 0.000 1.031 36 N CA 1.936 54.978 53.050 -0.012 0.000 0.852 36 N CB -0.301 38.182 38.487 -0.006 0.000 1.018 36 N HN 0.585 nan 8.380 nan 0.000 0.423 37 Q N -0.904 118.891 119.800 -0.008 0.000 2.124 37 Q HA -0.137 4.257 4.340 0.089 0.000 0.202 37 Q C 1.397 177.394 176.000 -0.006 0.000 0.977 37 Q CA 1.847 57.651 55.803 0.001 0.000 0.850 37 Q CB -0.133 28.606 28.738 0.002 0.000 0.901 37 Q HN 0.454 nan 8.270 nan 0.000 0.429 38 T N 1.036 115.587 114.554 -0.005 0.000 2.821 38 T HA -0.088 4.315 4.350 0.089 0.000 0.267 38 T C 1.793 176.462 174.700 -0.051 0.000 1.046 38 T CA 1.145 63.249 62.100 0.006 0.000 1.139 38 T CB -0.131 68.781 68.868 0.073 0.000 0.871 38 T HN 0.265 nan 8.240 nan 0.000 0.454 39 I N 0.812 121.351 120.570 -0.051 0.000 2.179 39 I HA -0.143 4.080 4.170 0.089 0.000 0.242 39 I C 2.227 178.282 176.117 -0.103 0.000 1.088 39 I CA 1.299 62.541 61.300 -0.097 0.000 1.357 39 I CB -0.370 37.567 38.000 -0.104 0.000 1.051 39 I HN 0.199 nan 8.210 nan 0.000 0.409 40 L N -0.048 121.148 121.223 -0.045 0.000 2.109 40 L HA -0.156 4.237 4.340 0.089 0.000 0.207 40 L C 2.457 179.363 176.870 0.059 0.000 1.086 40 L CA 1.328 56.200 54.840 0.053 0.000 0.760 40 L CB -0.633 41.482 42.059 0.093 0.000 0.910 40 L HN 0.259 nan 8.230 nan 0.000 0.437 41 E N -0.033 120.142 120.200 -0.042 0.000 2.047 41 E HA -0.177 4.226 4.350 0.089 0.000 0.191 41 E C 2.202 178.669 176.600 -0.223 0.000 0.987 41 E CA 1.874 58.202 56.400 -0.121 0.000 0.799 41 E CB -0.083 29.559 29.700 -0.096 0.000 0.752 41 E HN 0.578 nan 8.360 nan 0.000 0.449 42 T N -1.537 112.863 114.554 -0.257 0.000 2.857 42 T HA -0.044 4.359 4.350 0.089 0.000 0.266 42 T C 2.092 176.716 174.700 -0.125 0.000 1.048 42 T CA 0.974 62.886 62.100 -0.312 0.000 1.139 42 T CB -0.612 67.978 68.868 -0.464 0.000 0.874 42 T HN 0.182 nan 8.240 nan 0.000 0.455 43 G N 0.976 109.741 108.800 -0.058 0.000 2.459 43 G HA2 -0.233 3.780 3.960 0.089 0.000 0.217 43 G HA3 -0.233 3.780 3.960 0.089 0.000 0.217 43 G C 1.905 176.839 174.900 0.055 0.000 1.183 43 G CA 1.132 46.273 45.100 0.069 0.000 0.776 43 G HN 0.556 nan 8.290 nan 0.000 0.552 44 S N -0.286 115.349 115.700 -0.108 0.000 2.368 44 S HA -0.183 4.340 4.470 0.089 0.000 0.225 44 S C 2.373 176.712 174.600 -0.435 0.000 1.030 44 S CA 2.074 59.956 58.200 -0.530 0.000 0.999 44 S CB -0.284 62.541 63.200 -0.624 0.000 0.844 44 S HN 0.571 nan 8.310 nan 0.000 0.459 45 Q N -1.110 118.402 119.800 -0.479 0.000 2.137 45 Q HA 0.066 4.460 4.340 0.089 0.000 0.198 45 Q C -0.443 175.077 176.000 -0.801 0.000 0.960 45 Q CA 0.925 56.283 55.803 -0.742 0.000 0.847 45 Q CB 0.117 28.213 28.738 -1.071 0.000 0.915 45 Q HN 0.615 nan 8.270 nan 0.000 0.448 46 F N -0.448 119.415 119.950 -0.144 0.000 2.371 46 F HA 0.475 5.055 4.527 0.088 0.000 0.343 46 F C 0.572 176.337 175.800 -0.059 0.000 1.150 46 F CA -0.055 57.890 58.000 -0.092 0.000 1.220 46 F CB 1.549 40.492 39.000 -0.094 0.000 1.475 46 F HN 0.159 nan 8.300 nan 0.000 0.521 47 G N 0.342 109.174 108.800 0.054 0.000 2.205 47 G HA2 -0.148 3.865 3.960 0.089 0.000 0.180 47 G HA3 -0.148 3.865 3.960 0.089 0.000 0.180 47 G C 0.504 175.425 174.900 0.035 0.000 1.004 47 G CA -0.554 44.579 45.100 0.055 0.000 0.670 47 G HN 0.946 nan 8.290 nan 0.000 0.496 48 G N 0.191 108.980 108.800 -0.018 0.000 2.313 48 G HA2 0.624 4.637 3.960 0.089 0.000 0.250 48 G HA3 0.624 4.637 3.960 0.089 0.000 0.250 48 G C 0.340 175.197 174.900 -0.071 0.000 1.281 48 G CA 0.860 45.953 45.100 -0.012 0.000 0.917 48 G HN 1.663 nan 8.290 nan 0.000 0.501 49 V N -0.769 119.128 119.914 -0.028 0.000 3.160 49 V HA 0.850 5.023 4.120 0.089 0.000 0.310 49 V C 0.724 176.691 176.094 -0.212 0.000 1.181 49 V CA -0.475 61.754 62.300 -0.118 0.000 1.047 49 V CB 1.115 32.883 31.823 -0.093 0.000 1.068 49 V HN 2.569 nan 8.190 nan 0.000 0.441 50 A N 0.378 123.077 122.820 -0.201 0.000 2.687 50 A HA -0.230 4.143 4.320 0.089 0.000 0.299 50 A C 0.717 178.245 177.584 -0.094 0.000 1.497 50 A CA 1.340 53.255 52.037 -0.204 0.000 0.751 50 A CB -1.772 16.928 19.000 -0.501 0.000 1.048 50 A HN 1.587 nan 8.150 nan 0.000 0.464 51 R N -0.693 119.755 120.500 -0.086 0.000 2.538 51 R HA 0.186 4.579 4.340 0.089 0.000 0.282 51 R C 0.977 177.273 176.300 -0.007 0.000 1.009 51 R CA 1.033 57.062 56.100 -0.118 0.000 1.063 51 R CB 0.006 30.205 30.300 -0.169 0.000 0.945 51 R HN 1.077 nan 8.270 nan 0.000 0.414 52 W N 3.299 124.547 121.300 -0.087 0.000 2.865 52 W HA 0.470 5.183 4.660 0.090 0.000 0.300 52 W C -0.074 176.428 176.519 -0.028 0.000 1.096 52 W CA 0.208 57.526 57.345 -0.045 0.000 1.524 52 W CB 0.302 29.748 29.460 -0.023 0.000 0.991 52 W HN 0.575 nan 8.180 nan 0.000 0.571 53 G N 1.045 109.646 108.800 -0.332 0.000 2.694 53 G HA2 0.314 4.327 3.960 0.089 0.000 0.290 53 G HA3 0.314 4.327 3.960 0.089 0.000 0.290 53 G C 0.004 174.763 174.900 -0.235 0.000 1.386 53 G CA -0.243 44.733 45.100 -0.207 0.000 0.872 53 G HN 0.205 nan 8.290 nan 0.000 0.475 54 Q N -0.700 119.014 119.800 -0.143 0.000 2.378 54 Q HA 0.102 4.495 4.340 0.089 0.000 0.205 54 Q C 0.027 175.940 176.000 -0.146 0.000 0.954 54 Q CA 0.700 56.429 55.803 -0.123 0.000 0.901 54 Q CB 0.131 28.829 28.738 -0.068 0.000 0.981 54 Q HN 0.344 nan 8.270 nan 0.000 0.483 55 E N 1.557 121.635 120.200 -0.203 0.000 2.343 55 E HA 0.013 4.416 4.350 0.089 0.000 0.269 55 E C 0.866 177.314 176.600 -0.254 0.000 1.047 55 E CA 0.524 56.809 56.400 -0.192 0.000 0.874 55 E CB 1.540 31.141 29.700 -0.166 0.000 1.033 55 E HN 0.332 nan 8.360 nan 0.000 0.409 56 S N 1.980 117.635 115.700 -0.074 0.000 2.387 56 S HA -0.237 4.286 4.470 0.089 0.000 0.230 56 S C 1.439 176.084 174.600 0.075 0.000 1.035 56 S CA 1.694 59.896 58.200 0.004 0.000 1.014 56 S CB -0.528 62.713 63.200 0.068 0.000 0.836 56 S HN 0.702 nan 8.310 nan 0.000 0.466 57 H N 0.516 119.586 119.070 0.000 0.000 2.539 57 H HA 0.323 4.932 4.556 0.088 0.000 0.267 57 H C 0.000 175.085 175.328 -0.406 0.000 0.982 57 H CA 0.276 56.264 56.048 -0.101 0.000 1.146 57 H CB -0.490 29.311 29.762 0.065 0.000 1.382 57 H HN 0.543 nan 8.280 nan 0.000 0.577 58 E N 1.413 121.109 120.200 -0.839 0.000 2.261 58 E HA 0.229 4.632 4.350 0.089 0.000 0.308 58 E C -0.994 174.669 176.600 -1.562 0.000 1.400 58 E CA -0.360 55.114 56.400 -1.544 0.000 1.542 58 E CB -0.311 28.528 29.700 -1.435 0.000 1.369 58 E HN 0.461 nan 8.360 nan 0.000 0.493 59 F N -2.453 116.743 119.950 -1.256 0.000 2.686 59 F HA 0.732 5.311 4.527 0.088 0.000 0.311 59 F C -0.033 175.594 175.800 -0.288 0.000 1.128 59 F CA -1.256 56.328 58.000 -0.694 0.000 0.946 59 F CB 0.689 39.420 39.000 -0.449 0.000 1.336 59 F HN -0.066 nan 8.300 nan 0.000 0.457 60 G N 1.185 109.924 108.800 -0.102 0.000 2.887 60 G HA2 0.725 4.738 3.960 0.089 0.000 0.277 60 G HA3 0.725 4.738 3.960 0.089 0.000 0.277 60 G C -1.371 173.544 174.900 0.025 0.000 1.346 60 G CA -1.129 43.917 45.100 -0.089 0.000 1.058 60 G HN 0.576 nan 8.290 nan 0.000 0.535 61 M N -0.075 119.610 119.600 0.142 0.000 2.530 61 M HA 0.529 5.062 4.480 0.089 0.000 0.307 61 M C -0.720 175.690 176.300 0.184 0.000 1.161 61 M CA -0.688 54.696 55.300 0.140 0.000 0.903 61 M CB 2.330 34.984 32.600 0.090 0.000 1.711 61 M HN 0.626 nan 8.290 nan 0.000 0.451 62 R N 1.857 122.431 120.500 0.124 0.000 2.713 62 R HA 0.414 4.807 4.340 0.089 0.000 0.282 62 R C -1.345 175.000 176.300 0.076 0.000 1.472 62 R CA -0.244 55.919 56.100 0.105 0.000 1.060 62 R CB 1.272 31.638 30.300 0.111 0.000 1.237 62 R HN 0.843 nan 8.270 nan 0.000 0.484 63 R N 6.556 127.097 120.500 0.068 0.000 2.607 63 R HA 0.280 4.673 4.340 0.089 0.000 0.278 63 R C -1.113 175.220 176.300 0.055 0.000 1.637 63 R CA -0.420 55.718 56.100 0.064 0.000 1.325 63 R CB 0.612 30.953 30.300 0.069 0.000 1.211 63 R HN 0.486 nan 8.270 nan 0.000 0.565 64 L N 2.466 123.717 121.223 0.047 0.000 2.417 64 L HA 0.412 4.805 4.340 0.089 0.000 0.268 64 L C 0.824 177.739 176.870 0.075 0.000 1.158 64 L CA -0.537 54.324 54.840 0.035 0.000 0.819 64 L CB 1.214 43.274 42.059 0.001 0.000 1.112 64 L HN 0.568 nan 8.230 nan 0.000 0.458 65 A N 1.905 124.772 122.820 0.079 0.000 2.546 65 A HA 0.377 4.750 4.320 0.089 0.000 0.243 65 A C 1.236 179.030 177.584 0.351 0.000 1.063 65 A CA 0.588 52.707 52.037 0.138 0.000 0.757 65 A CB -0.414 18.561 19.000 -0.041 0.000 0.991 65 A HN 1.146 nan 8.150 nan 0.000 0.503 66 G N 1.947 110.990 108.800 0.405 0.000 2.184 66 G HA2 -0.209 3.805 3.960 0.089 0.000 0.264 66 G HA3 -0.209 3.805 3.960 0.089 0.000 0.264 66 G C 0.566 175.627 174.900 0.268 0.000 0.975 66 G CA 1.286 46.643 45.100 0.429 0.000 0.642 66 G HN 2.059 nan 8.290 nan 0.000 0.536 67 T N -2.622 112.048 114.554 0.194 0.000 2.847 67 T HA 0.749 5.152 4.350 0.089 0.000 0.279 67 T C 1.803 176.573 174.700 0.117 0.000 0.984 67 T CA 0.454 62.635 62.100 0.135 0.000 0.988 67 T CB 1.613 70.539 68.868 0.097 0.000 1.040 67 T HN 1.367 nan 8.240 nan 0.000 0.528 68 A N 0.526 123.407 122.820 0.102 0.000 1.917 68 A HA -0.024 4.350 4.320 0.089 0.000 0.219 68 A C 2.339 179.982 177.584 0.098 0.000 1.182 68 A CA 1.581 53.677 52.037 0.099 0.000 0.633 68 A CB -1.213 17.839 19.000 0.087 0.000 0.819 68 A HN 0.835 nan 8.150 nan 0.000 0.448 69 L N -0.815 120.466 121.223 0.096 0.000 2.093 69 L HA -0.171 4.223 4.340 0.089 0.000 0.208 69 L C 2.426 179.329 176.870 0.055 0.000 1.085 69 L CA 1.474 56.378 54.840 0.107 0.000 0.755 69 L CB -0.448 41.679 42.059 0.113 0.000 0.904 69 L HN 0.435 nan 8.230 nan 0.000 0.435 70 D N 0.112 120.542 120.400 0.051 0.000 2.092 70 D HA -0.171 4.522 4.640 0.089 0.000 0.193 70 D C 2.101 178.372 176.300 -0.049 0.000 0.994 70 D CA 1.614 55.620 54.000 0.011 0.000 0.828 70 D CB -0.210 40.629 40.800 0.064 0.000 0.963 70 D HN 0.213 nan 8.370 nan 0.000 0.450 71 G N 0.212 109.022 108.800 0.017 0.000 2.440 71 G HA2 -0.219 3.795 3.960 0.089 0.000 0.218 71 G HA3 -0.219 3.795 3.960 0.089 0.000 0.218 71 G C 1.754 176.683 174.900 0.048 0.000 1.154 71 G CA 1.603 46.747 45.100 0.073 0.000 0.767 71 G HN 0.475 nan 8.290 nan 0.000 0.552 72 A N 0.190 123.003 122.820 -0.013 0.000 1.902 72 A HA 0.003 4.376 4.320 0.089 0.000 0.217 72 A C 2.324 179.567 177.584 -0.568 0.000 1.181 72 A CA 2.306 54.267 52.037 -0.126 0.000 0.623 72 A CB -0.365 18.666 19.000 0.052 0.000 0.818 72 A HN 0.416 nan 8.150 nan 0.000 0.443 73 M N -0.119 119.093 119.600 -0.646 0.000 2.132 73 M HA -0.066 4.467 4.480 0.089 0.000 0.263 73 M C 2.005 178.209 176.300 -0.159 0.000 1.065 73 M CA 1.611 56.511 55.300 -0.667 0.000 1.122 73 M CB -0.493 31.900 32.600 -0.345 0.000 1.365 73 M HN 0.373 nan 8.290 nan 0.000 0.411 74 R N 0.150 120.576 120.500 -0.123 0.000 2.091 74 R HA -0.166 4.227 4.340 0.089 0.000 0.238 74 R C 1.738 178.152 176.300 0.189 0.000 1.136 74 R CA 1.711 57.787 56.100 -0.040 0.000 0.959 74 R CB -0.684 29.353 30.300 -0.437 0.000 0.856 74 R HN 0.449 nan 8.270 nan 0.000 0.437 75 D N -0.566 119.939 120.400 0.175 0.000 2.117 75 D HA -0.198 4.495 4.640 0.089 0.000 0.197 75 D C 1.416 177.812 176.300 0.160 0.000 0.987 75 D CA 0.873 54.990 54.000 0.196 0.000 0.829 75 D CB -0.380 40.512 40.800 0.154 0.000 0.961 75 D HN 0.301 nan 8.370 nan 0.000 0.460 76 W N 0.711 121.972 121.300 -0.065 0.000 2.335 76 W HA -0.241 4.472 4.660 0.089 0.000 0.311 76 W C 2.119 178.673 176.519 0.057 0.000 1.213 76 W CA 1.245 58.584 57.345 -0.010 0.000 1.274 76 W CB -0.642 28.768 29.460 -0.083 0.000 1.148 76 W HN -0.047 nan 8.180 nan 0.000 0.498 77 F N 1.319 121.360 119.950 0.152 0.000 2.134 77 F HA -0.218 4.363 4.527 0.090 0.000 0.299 77 F C 2.372 178.097 175.800 -0.126 0.000 1.097 77 F CA 2.655 60.649 58.000 -0.009 0.000 1.264 77 F CB -0.912 38.161 39.000 0.121 0.000 1.001 77 F HN -0.250 nan 8.300 nan 0.000 0.479 78 T N 0.401 114.967 114.554 0.021 0.000 2.684 78 T HA -0.236 4.167 4.350 0.089 0.000 0.267 78 T C 1.937 176.524 174.700 -0.187 0.000 1.036 78 T CA 1.661 63.729 62.100 -0.054 0.000 1.148 78 T CB -0.518 68.417 68.868 0.112 0.000 0.863 78 T HN 0.369 nan 8.240 nan 0.000 0.436 79 N N 0.313 118.895 118.700 -0.197 0.000 2.188 79 N HA -0.104 4.689 4.740 0.089 0.000 0.184 79 N C 1.924 177.232 175.510 -0.337 0.000 1.018 79 N CA 0.837 53.754 53.050 -0.222 0.000 0.858 79 N CB 0.048 38.423 38.487 -0.185 0.000 0.989 79 N HN 0.382 nan 8.380 nan 0.000 0.426 80 E N 0.658 120.524 120.200 -0.556 0.000 2.051 80 E HA -0.120 4.283 4.350 0.089 0.000 0.192 80 E C 2.253 178.601 176.600 -0.420 0.000 0.991 80 E CA 0.652 56.699 56.400 -0.589 0.000 0.799 80 E CB -0.517 28.642 29.700 -0.902 0.000 0.748 80 E HN 0.404 nan 8.360 nan 0.000 0.449 81 C N 1.027 120.028 119.300 -0.498 0.000 2.429 81 C HA -0.078 4.435 4.460 0.089 0.000 0.277 81 C C 2.536 177.425 174.990 -0.168 0.000 1.262 81 C CA 0.488 59.292 59.018 -0.356 0.000 1.733 81 C CB -0.813 26.644 27.740 -0.471 0.000 2.010 81 C HN 0.490 nan 8.230 nan 0.000 0.483 82 E N 1.212 121.315 120.200 -0.162 0.000 2.153 82 E HA -0.172 4.231 4.350 0.089 0.000 0.194 82 E C 2.249 178.810 176.600 -0.066 0.000 0.988 82 E CA 1.583 57.932 56.400 -0.085 0.000 0.811 82 E CB -0.196 29.459 29.700 -0.077 0.000 0.746 82 E HN 0.796 nan 8.360 nan 0.000 0.466 83 S N 0.610 116.251 115.700 -0.098 0.000 2.447 83 S HA -0.065 4.458 4.470 0.089 0.000 0.233 83 S C 1.862 176.445 174.600 -0.028 0.000 1.006 83 S CA 0.597 58.755 58.200 -0.070 0.000 0.957 83 S CB -0.209 62.930 63.200 -0.101 0.000 0.773 83 S HN 0.190 nan 8.310 nan 0.000 0.507 84 L N 0.570 121.786 121.223 -0.012 0.000 2.558 84 L HA 0.351 4.744 4.340 0.089 0.000 0.225 84 L C 1.789 178.752 176.870 0.155 0.000 1.128 84 L CA 0.399 55.294 54.840 0.091 0.000 0.868 84 L CB -0.427 41.689 42.059 0.096 0.000 1.006 84 L HN 0.605 nan 8.230 nan 0.000 0.454 85 G N -0.762 108.076 108.800 0.064 0.000 2.138 85 G HA2 -0.212 3.801 3.960 0.089 0.000 0.193 85 G HA3 -0.212 3.801 3.960 0.089 0.000 0.193 85 G C 0.139 175.049 174.900 0.018 0.000 0.998 85 G CA -0.306 44.805 45.100 0.018 0.000 0.668 85 G HN 0.254 nan 8.290 nan 0.000 0.516 86 C N 0.455 119.795 119.300 0.067 0.000 2.604 86 C HA 0.606 5.119 4.460 0.089 0.000 0.396 86 C C 0.980 175.992 174.990 0.037 0.000 1.282 86 C CA -0.284 58.782 59.018 0.079 0.000 2.292 86 C CB 1.121 28.913 27.740 0.087 0.000 2.633 86 C HN 0.605 nan 8.230 nan 0.000 0.620 87 K N 1.669 122.101 120.400 0.053 0.000 2.248 87 K HA 0.492 4.865 4.320 0.089 0.000 0.281 87 K C -1.171 175.477 176.600 0.080 0.000 1.054 87 K CA -0.237 56.081 56.287 0.051 0.000 0.903 87 K CB 0.568 33.097 32.500 0.049 0.000 1.077 87 K HN 0.537 nan 8.250 nan 0.000 0.474 88 V N 5.950 125.908 119.914 0.074 0.000 2.318 88 V HA 0.219 4.392 4.120 0.089 0.000 0.271 88 V C -0.149 176.029 176.094 0.140 0.000 1.030 88 V CA -0.681 61.688 62.300 0.115 0.000 0.844 88 V CB 0.823 32.704 31.823 0.096 0.000 1.015 88 V HN 0.744 nan 8.190 nan 0.000 0.460 89 K N 3.518 124.030 120.400 0.187 0.000 2.172 89 K HA 0.676 5.049 4.320 0.089 0.000 0.276 89 K C -0.949 175.811 176.600 0.266 0.000 1.013 89 K CA -0.535 55.861 56.287 0.183 0.000 0.913 89 K CB 2.186 34.767 32.500 0.135 0.000 1.055 89 K HN 0.416 nan 8.250 nan 0.000 0.461 90 V N 3.627 123.670 119.914 0.215 0.000 2.487 90 V HA 0.083 4.256 4.120 0.089 0.000 0.298 90 V C -0.210 176.012 176.094 0.214 0.000 1.028 90 V CA -0.924 61.530 62.300 0.256 0.000 0.860 90 V CB 1.633 33.599 31.823 0.239 0.000 0.991 90 V HN 0.877 nan 8.190 nan 0.000 0.427 91 D N 4.452 125.012 120.400 0.267 0.000 2.506 91 D HA 0.278 4.971 4.640 0.089 0.000 0.272 91 D C 0.862 177.273 176.300 0.185 0.000 1.214 91 D CA -0.693 53.435 54.000 0.213 0.000 1.067 91 D CB 0.815 41.772 40.800 0.262 0.000 1.117 91 D HN 0.158 nan 8.370 nan 0.000 0.578 92 K N -0.688 119.813 120.400 0.168 0.000 2.209 92 K HA -0.057 4.317 4.320 0.089 0.000 0.204 92 K C 1.263 177.978 176.600 0.193 0.000 1.048 92 K CA 0.636 57.032 56.287 0.182 0.000 0.940 92 K CB -0.270 32.326 32.500 0.159 0.000 0.729 92 K HN 0.381 nan 8.250 nan 0.000 0.451 93 I N -0.175 120.472 120.570 0.127 0.000 3.941 93 I HA 0.135 4.359 4.170 0.089 0.000 0.335 93 I C 0.657 176.720 176.117 -0.089 0.000 1.402 93 I CA 0.320 61.636 61.300 0.026 0.000 1.112 93 I CB 0.123 38.158 38.000 0.060 0.000 1.043 93 I HN 0.362 nan 8.210 nan 0.000 0.395 94 G N 0.776 109.601 108.800 0.042 0.000 2.157 94 G HA2 -0.271 3.742 3.960 0.089 0.000 0.248 94 G HA3 -0.271 3.742 3.960 0.089 0.000 0.248 94 G C 0.136 175.131 174.900 0.158 0.000 0.979 94 G CA 0.020 45.154 45.100 0.057 0.000 0.650 94 G HN 0.395 nan 8.290 nan 0.000 0.529 95 N N 0.499 119.336 118.700 0.227 0.000 2.492 95 N HA 0.480 5.274 4.740 0.089 0.000 0.262 95 N C 0.538 176.089 175.510 0.068 0.000 1.202 95 N CA 0.605 53.725 53.050 0.116 0.000 0.926 95 N CB 0.502 39.127 38.487 0.230 0.000 1.078 95 N HN 0.421 nan 8.380 nan 0.000 0.454 96 M N 1.853 121.313 119.600 -0.233 0.000 2.383 96 M HA 0.435 4.968 4.480 0.089 0.000 0.325 96 M C -1.072 175.013 176.300 -0.360 0.000 1.092 96 M CA -0.535 54.727 55.300 -0.064 0.000 0.961 96 M CB 1.299 33.911 32.600 0.021 0.000 1.672 96 M HN 0.251 nan 8.290 nan 0.000 0.438 97 F N 1.714 121.663 119.950 -0.002 0.000 2.513 97 F HA 0.573 5.153 4.527 0.089 0.000 0.358 97 F C 0.023 175.869 175.800 0.078 0.000 1.118 97 F CA -0.976 57.019 58.000 -0.008 0.000 1.037 97 F CB 1.321 40.306 39.000 -0.024 0.000 1.276 97 F HN 0.608 nan 8.300 nan 0.000 0.446 98 A N 3.546 126.499 122.820 0.223 0.000 2.316 98 A HA 0.659 5.032 4.320 0.089 0.000 0.311 98 A C -0.584 177.112 177.584 0.186 0.000 1.339 98 A CA -0.509 51.631 52.037 0.171 0.000 0.960 98 A CB -0.033 19.021 19.000 0.090 0.000 1.152 98 A HN 0.475 nan 8.150 nan 0.000 0.547 99 V N 3.640 123.666 119.914 0.187 0.000 2.364 99 V HA 0.163 4.336 4.120 0.089 0.000 0.272 99 V C -0.528 175.699 176.094 0.222 0.000 1.036 99 V CA -0.378 62.046 62.300 0.207 0.000 0.880 99 V CB 0.467 32.393 31.823 0.172 0.000 0.991 99 V HN 0.736 nan 8.190 nan 0.000 0.460 100 Y N 8.572 128.945 120.300 0.123 0.000 2.341 100 Y HA 0.485 5.089 4.550 0.089 0.000 0.340 100 Y C -2.062 173.911 175.900 0.122 0.000 0.997 100 Y CA -2.776 55.397 58.100 0.122 0.000 1.149 100 Y CB 1.741 40.304 38.460 0.172 0.000 1.171 100 Y HN 0.463 nan 8.280 nan 0.000 0.494 101 P HA 0.167 nan 4.420 nan 0.000 0.271 101 P C -0.181 177.049 177.300 -0.117 0.000 1.220 101 P CA 0.158 63.178 63.100 -0.133 0.000 0.768 101 P CB 1.217 32.800 31.700 -0.195 0.000 0.848 102 G N 2.438 111.225 108.800 -0.023 0.000 2.601 102 G HA2 0.252 4.266 3.960 0.089 0.000 0.317 102 G HA3 0.252 4.266 3.960 0.089 0.000 0.317 102 G C 0.718 175.542 174.900 -0.128 0.000 1.246 102 G CA -0.684 44.384 45.100 -0.053 0.000 1.012 102 G HN 0.282 nan 8.290 nan 0.000 0.494 103 K N -0.361 119.921 120.400 -0.197 0.000 2.063 103 K HA -0.065 4.308 4.320 0.089 0.000 0.208 103 K C 1.288 177.754 176.600 -0.223 0.000 1.048 103 K CA 1.378 57.535 56.287 -0.216 0.000 0.928 103 K CB 0.075 32.421 32.500 -0.256 0.000 0.713 103 K HN 0.335 nan 8.250 nan 0.000 0.442 104 N N -0.591 117.913 118.700 -0.327 0.000 2.184 104 N HA 0.071 4.864 4.740 0.089 0.000 0.206 104 N C 0.781 176.249 175.510 -0.069 0.000 1.151 104 N CA 0.736 53.614 53.050 -0.286 0.000 0.878 104 N CB 1.531 39.657 38.487 -0.601 0.000 1.014 104 N HN 0.287 nan 8.380 nan 0.000 0.512 105 G N 1.319 110.113 108.800 -0.011 0.000 2.543 105 G HA2 -0.178 3.836 3.960 0.089 0.000 0.286 105 G HA3 -0.178 3.836 3.960 0.089 0.000 0.286 105 G C 0.351 175.384 174.900 0.220 0.000 1.153 105 G CA 0.278 45.431 45.100 0.090 0.000 0.968 105 G HN 0.843 nan 8.290 nan 0.000 0.544 106 G N -0.882 108.032 108.800 0.190 0.000 2.855 106 G HA2 0.065 4.078 3.960 0.089 0.000 0.352 106 G HA3 0.065 4.078 3.960 0.089 0.000 0.352 106 G C -0.021 174.979 174.900 0.166 0.000 1.415 106 G CA 0.680 45.895 45.100 0.191 0.000 0.871 106 G HN 1.375 nan 8.290 nan 0.000 0.543 107 K N 1.922 122.404 120.400 0.137 0.000 2.472 107 K HA 0.207 4.580 4.320 0.089 0.000 0.280 107 K C -1.768 174.953 176.600 0.202 0.000 1.028 107 K CA -0.339 56.042 56.287 0.157 0.000 1.045 107 K CB 0.569 33.157 32.500 0.148 0.000 0.902 107 K HN 0.383 nan 8.250 nan 0.000 0.478 108 P HA 0.002 nan 4.420 nan 0.000 0.275 108 P C -0.673 176.809 177.300 0.303 0.000 1.228 108 P CA -0.307 62.954 63.100 0.269 0.000 0.786 108 P CB 0.623 32.480 31.700 0.263 0.000 0.927 109 T N 1.929 116.691 114.554 0.347 0.000 2.769 109 T HA 0.381 4.784 4.350 0.089 0.000 0.293 109 T C 0.474 175.373 174.700 0.332 0.000 0.931 109 T CA 0.143 62.475 62.100 0.387 0.000 1.139 109 T CB -0.022 69.139 68.868 0.490 0.000 0.881 109 T HN 0.455 nan 8.240 nan 0.000 0.532 110 A N 3.441 126.448 122.820 0.312 0.000 2.306 110 A HA 0.717 5.090 4.320 0.089 0.000 0.314 110 A C 0.405 178.138 177.584 0.248 0.000 1.164 110 A CA -0.632 51.584 52.037 0.299 0.000 0.822 110 A CB 1.096 20.318 19.000 0.369 0.000 1.130 110 A HN 0.681 nan 8.150 nan 0.000 0.496 111 T N 0.380 115.035 114.554 0.169 0.000 2.886 111 T HA 0.733 5.136 4.350 0.089 0.000 0.292 111 T C -0.233 174.509 174.700 0.071 0.000 1.012 111 T CA 0.258 62.391 62.100 0.054 0.000 0.982 111 T CB 1.292 70.191 68.868 0.050 0.000 1.018 111 T HN 1.804 nan 8.240 nan 0.000 0.451 112 G N 1.539 110.379 108.800 0.067 0.000 2.632 112 G HA2 0.609 4.622 3.960 0.089 0.000 0.292 112 G HA3 0.609 4.622 3.960 0.089 0.000 0.292 112 G C -1.033 174.048 174.900 0.301 0.000 1.465 112 G CA 0.021 45.238 45.100 0.196 0.000 0.824 112 G HN 0.885 nan 8.290 nan 0.000 0.509 113 S N -1.421 114.430 115.700 0.251 0.000 4.078 113 S HA 0.722 5.246 4.470 0.089 0.000 0.290 113 S C -1.374 173.418 174.600 0.320 0.000 1.069 113 S CA 0.115 58.517 58.200 0.336 0.000 1.246 113 S CB 0.359 63.649 63.200 0.151 0.000 1.659 113 S HN 1.491 nan 8.310 nan 0.000 0.624 114 H N -0.493 118.663 119.070 0.142 0.000 2.928 114 H HA 0.696 5.306 4.556 0.089 0.000 0.371 114 H C -0.300 175.023 175.328 -0.008 0.000 1.186 114 H CA -0.884 55.209 56.048 0.073 0.000 1.134 114 H CB 0.768 30.606 29.762 0.127 0.000 1.824 114 H HN 0.352 nan 8.280 nan 0.000 0.554 115 L N 0.187 121.419 121.223 0.015 0.000 2.638 115 L HA 0.112 4.505 4.340 0.089 0.000 0.232 115 L C 0.202 177.098 176.870 0.043 0.000 1.099 115 L CA -0.111 54.694 54.840 -0.057 0.000 0.883 115 L CB 0.119 42.098 42.059 -0.134 0.000 1.136 115 L HN 0.753 nan 8.230 nan 0.000 0.492 116 D N 0.489 120.982 120.400 0.154 0.000 2.313 116 D HA 0.175 4.868 4.640 0.089 0.000 0.247 116 D C 0.094 176.514 176.300 0.200 0.000 1.094 116 D CA 0.031 54.111 54.000 0.133 0.000 0.925 116 D CB 1.768 42.604 40.800 0.061 0.000 1.188 116 D HN -0.043 nan 8.370 nan 0.000 0.430 117 T N -1.845 112.771 114.554 0.103 0.000 2.888 117 T HA 0.290 4.693 4.350 0.089 0.000 0.288 117 T C 0.142 174.843 174.700 0.001 0.000 1.063 117 T CA -0.954 61.197 62.100 0.085 0.000 1.010 117 T CB 1.815 70.726 68.868 0.071 0.000 1.214 117 T HN 0.331 nan 8.240 nan 0.000 0.533 118 Q N 0.977 120.736 119.800 -0.068 0.000 2.471 118 Q HA 0.247 4.641 4.340 0.089 0.000 0.223 118 Q C -1.476 174.482 176.000 -0.071 0.000 1.045 118 Q CA -1.964 53.746 55.803 -0.155 0.000 0.956 118 Q CB 0.683 29.213 28.738 -0.347 0.000 1.249 118 Q HN 0.519 nan 8.270 nan 0.000 0.549 119 P HA -0.107 nan 4.420 nan 0.000 0.218 119 P C -0.472 176.827 177.300 -0.001 0.000 1.149 119 P CA 1.339 64.416 63.100 -0.038 0.000 0.817 119 P CB 0.497 32.160 31.700 -0.063 0.000 0.785 120 E N -0.271 119.887 120.200 -0.069 0.000 2.279 120 E HA 0.605 5.008 4.350 0.089 0.000 0.252 120 E C -0.910 175.627 176.600 -0.105 0.000 0.894 120 E CA -0.603 55.711 56.400 -0.145 0.000 0.785 120 E CB 1.947 31.355 29.700 -0.487 0.000 1.237 120 E HN 0.015 nan 8.360 nan 0.000 0.418 121 A N 2.125 125.025 122.820 0.133 0.000 2.527 121 A HA 0.858 5.231 4.320 0.089 0.000 0.293 121 A C 0.013 177.733 177.584 0.226 0.000 1.117 121 A CA -0.483 51.631 52.037 0.129 0.000 0.723 121 A CB 1.592 20.640 19.000 0.079 0.000 1.313 121 A HN 0.544 nan 8.150 nan 0.000 0.411 122 G N -0.653 108.258 108.800 0.185 0.000 2.580 122 G HA2 0.463 4.476 3.960 0.089 0.000 0.278 122 G HA3 0.463 4.476 3.960 0.089 0.000 0.278 122 G C 0.186 175.100 174.900 0.024 0.000 1.212 122 G CA -0.503 44.699 45.100 0.171 0.000 0.939 122 G HN 0.724 nan 8.290 nan 0.000 0.513 123 K N -0.694 119.594 120.400 -0.186 0.000 2.426 123 K HA 0.107 4.480 4.320 0.089 0.000 0.193 123 K C 0.772 177.042 176.600 -0.551 0.000 1.028 123 K CA 0.714 56.709 56.287 -0.488 0.000 1.047 123 K CB 0.232 32.215 32.500 -0.862 0.000 0.821 123 K HN 0.615 nan 8.250 nan 0.000 0.513 124 Y N 0.084 120.345 120.300 -0.064 0.000 2.581 124 Y HA 0.090 4.693 4.550 0.088 0.000 0.271 124 Y C 0.604 176.398 175.900 -0.178 0.000 1.100 124 Y CA -0.959 57.069 58.100 -0.120 0.000 1.281 124 Y CB 0.175 38.559 38.460 -0.128 0.000 1.237 124 Y HN -0.071 nan 8.280 nan 0.000 0.514 125 D N 0.994 121.427 120.400 0.054 0.000 2.502 125 D HA 0.150 4.843 4.640 0.089 0.000 0.249 125 D C 1.346 177.539 176.300 -0.178 0.000 1.188 125 D CA 1.952 55.963 54.000 0.018 0.000 0.890 125 D CB 0.606 41.575 40.800 0.281 0.000 1.140 125 D HN 0.579 nan 8.370 nan 0.000 0.505 126 G N 4.251 112.760 108.800 -0.485 0.000 3.078 126 G HA2 -0.412 3.601 3.960 0.089 0.000 0.227 126 G HA3 -0.412 3.601 3.960 0.089 0.000 0.227 126 G C 1.556 176.163 174.900 -0.489 0.000 1.306 126 G CA 0.466 45.045 45.100 -0.869 0.000 0.841 126 G HN 0.576 nan 8.290 nan 0.000 0.530 127 I N 0.991 121.356 120.570 -0.341 0.000 2.264 127 I HA -0.157 4.066 4.170 0.089 0.000 0.248 127 I C 2.671 178.706 176.117 -0.137 0.000 1.111 127 I CA 1.679 62.859 61.300 -0.201 0.000 1.382 127 I CB -0.332 37.572 38.000 -0.161 0.000 1.060 127 I HN 0.397 nan 8.210 nan 0.000 0.418 128 L N 1.186 122.329 121.223 -0.133 0.000 1.989 128 L HA -0.142 4.251 4.340 0.089 0.000 0.211 128 L C 2.354 179.195 176.870 -0.049 0.000 1.071 128 L CA 2.436 57.237 54.840 -0.065 0.000 0.749 128 L CB -1.305 40.719 42.059 -0.058 0.000 0.890 128 L HN 0.200 nan 8.230 nan 0.000 0.431 129 G N -1.271 107.482 108.800 -0.078 0.000 2.422 129 G HA2 -0.162 3.851 3.960 0.089 0.000 0.218 129 G HA3 -0.162 3.851 3.960 0.089 0.000 0.218 129 G C 1.485 176.386 174.900 0.002 0.000 1.146 129 G CA 0.997 46.090 45.100 -0.012 0.000 0.769 129 G HN 0.358 nan 8.290 nan 0.000 0.547 130 V N 0.863 120.753 119.914 -0.040 0.000 2.307 130 V HA -0.059 4.115 4.120 0.089 0.000 0.245 130 V C 2.849 178.982 176.094 0.065 0.000 1.045 130 V CA 1.288 63.563 62.300 -0.040 0.000 1.024 130 V CB -0.391 31.326 31.823 -0.177 0.000 0.651 130 V HN 0.318 nan 8.190 nan 0.000 0.449 131 L N -0.067 121.189 121.223 0.055 0.000 2.217 131 L HA -0.065 4.328 4.340 0.089 0.000 0.211 131 L C 2.662 179.562 176.870 0.050 0.000 1.107 131 L CA 1.167 56.069 54.840 0.105 0.000 0.783 131 L CB -0.729 41.374 42.059 0.072 0.000 0.919 131 L HN 0.369 nan 8.230 nan 0.000 0.442 132 A N 0.518 123.363 122.820 0.042 0.000 1.898 132 A HA -0.084 4.289 4.320 0.089 0.000 0.216 132 A C 2.412 180.071 177.584 0.125 0.000 1.181 132 A CA 1.549 53.641 52.037 0.092 0.000 0.620 132 A CB -1.104 17.986 19.000 0.151 0.000 0.819 132 A HN 0.409 nan 8.150 nan 0.000 0.442 133 G N -0.087 108.764 108.800 0.085 0.000 2.491 133 G HA2 -0.265 3.748 3.960 0.089 0.000 0.218 133 G HA3 -0.265 3.748 3.960 0.089 0.000 0.218 133 G C 1.580 176.503 174.900 0.038 0.000 1.180 133 G CA 1.022 46.159 45.100 0.063 0.000 0.774 133 G HN 0.425 nan 8.290 nan 0.000 0.562 134 L N 0.067 121.347 121.223 0.094 0.000 2.051 134 L HA -0.171 4.222 4.340 0.089 0.000 0.214 134 L C 2.865 179.697 176.870 -0.063 0.000 1.076 134 L CA 2.288 57.148 54.840 0.032 0.000 0.758 134 L CB -0.205 41.930 42.059 0.127 0.000 0.890 134 L HN 0.331 nan 8.230 nan 0.000 0.433 135 E N -0.828 119.337 120.200 -0.060 0.000 2.152 135 E HA -0.143 4.260 4.350 0.089 0.000 0.192 135 E C 1.981 178.567 176.600 -0.024 0.000 0.983 135 E CA 0.906 57.212 56.400 -0.157 0.000 0.818 135 E CB -0.014 29.388 29.700 -0.497 0.000 0.758 135 E HN 0.316 nan 8.360 nan 0.000 0.467 136 V N 0.796 120.745 119.914 0.058 0.000 2.255 136 V HA -0.295 3.879 4.120 0.089 0.000 0.247 136 V C 2.377 178.085 176.094 -0.643 0.000 1.051 136 V CA 1.869 64.013 62.300 -0.261 0.000 1.018 136 V CB -0.538 31.070 31.823 -0.358 0.000 0.641 136 V HN 0.344 nan 8.190 nan 0.000 0.445 137 L N -0.712 120.212 121.223 -0.498 0.000 2.046 137 L HA -0.200 4.193 4.340 0.089 0.000 0.208 137 L C 2.751 179.396 176.870 -0.375 0.000 1.077 137 L CA 1.709 56.186 54.840 -0.604 0.000 0.747 137 L CB -0.708 41.047 42.059 -0.506 0.000 0.896 137 L HN 0.252 nan 8.230 nan 0.000 0.432 138 R N -0.542 119.829 120.500 -0.214 0.000 2.096 138 R HA -0.114 4.279 4.340 0.089 0.000 0.235 138 R C 2.330 178.610 176.300 -0.033 0.000 1.127 138 R CA 1.810 57.852 56.100 -0.096 0.000 0.968 138 R CB -0.535 29.714 30.300 -0.085 0.000 0.861 138 R HN 0.337 nan 8.270 nan 0.000 0.440 139 T N 0.748 115.270 114.554 -0.054 0.000 2.777 139 T HA -0.093 4.310 4.350 0.089 0.000 0.266 139 T C 1.559 176.358 174.700 0.164 0.000 1.040 139 T CA 1.203 63.324 62.100 0.035 0.000 1.141 139 T CB -0.278 68.620 68.868 0.049 0.000 0.868 139 T HN 0.190 nan 8.240 nan 0.000 0.444 140 F N 1.277 121.229 119.950 0.004 0.000 2.069 140 F HA -0.152 4.429 4.527 0.089 0.000 0.298 140 F C 2.676 178.580 175.800 0.174 0.000 1.113 140 F CA 1.065 59.129 58.000 0.107 0.000 1.214 140 F CB -0.157 38.891 39.000 0.079 0.000 0.978 140 F HN 0.093 nan 8.300 nan 0.000 0.474 141 K N 0.618 121.216 120.400 0.330 0.000 2.057 141 K HA -0.186 4.187 4.320 0.089 0.000 0.207 141 K C 1.483 178.190 176.600 0.179 0.000 1.049 141 K CA 1.869 58.320 56.287 0.273 0.000 0.931 141 K CB -0.156 32.481 32.500 0.229 0.000 0.714 141 K HN 0.047 nan 8.250 nan 0.000 0.440 142 D N 0.375 120.857 120.400 0.138 0.000 2.178 142 D HA -0.126 4.567 4.640 0.089 0.000 0.201 142 D C 1.071 177.440 176.300 0.115 0.000 0.980 142 D CA 0.945 55.006 54.000 0.102 0.000 0.842 142 D CB -0.116 40.729 40.800 0.074 0.000 0.948 142 D HN 0.333 nan 8.370 nan 0.000 0.472 143 N N 0.728 119.523 118.700 0.158 0.000 2.280 143 N HA -0.022 4.771 4.740 0.089 0.000 0.192 143 N C -0.369 175.246 175.510 0.175 0.000 1.109 143 N CA -0.021 53.125 53.050 0.160 0.000 0.855 143 N CB 0.414 39.007 38.487 0.176 0.000 0.974 143 N HN 0.062 nan 8.380 nan 0.000 0.482 144 N N 0.472 119.277 118.700 0.174 0.000 2.735 144 N HA -0.263 4.530 4.740 0.089 0.000 0.248 144 N C -0.826 174.767 175.510 0.139 0.000 1.083 144 N CA 0.710 53.842 53.050 0.137 0.000 0.703 144 N CB -1.996 36.538 38.487 0.079 0.000 1.005 144 N HN 0.498 nan 8.380 nan 0.000 0.550 145 Y N 0.469 120.805 120.300 0.060 0.000 2.367 145 Y HA 0.413 5.017 4.550 0.089 0.000 0.342 145 Y C -0.016 175.807 175.900 -0.128 0.000 0.979 145 Y CA -0.724 57.351 58.100 -0.042 0.000 1.161 145 Y CB 0.957 39.393 38.460 -0.040 0.000 1.155 145 Y HN -0.043 nan 8.280 nan 0.000 0.503 146 V N 9.289 128.946 119.914 -0.428 0.000 2.350 146 V HA 0.325 4.499 4.120 0.089 0.000 0.276 146 V C -1.998 173.784 176.094 -0.520 0.000 1.028 146 V CA -1.984 60.120 62.300 -0.326 0.000 0.860 146 V CB 0.753 32.431 31.823 -0.242 0.000 0.990 146 V HN 0.712 nan 8.190 nan 0.000 0.453 147 P HA 0.152 nan 4.420 nan 0.000 0.270 147 P C 0.456 177.656 177.300 -0.167 0.000 1.223 147 P CA -0.176 62.801 63.100 -0.205 0.000 0.785 147 P CB 0.886 32.585 31.700 -0.002 0.000 0.923 148 N N 0.061 118.689 118.700 -0.119 0.000 2.244 148 N HA -0.100 4.693 4.740 0.089 0.000 0.183 148 N C 0.184 175.411 175.510 -0.472 0.000 1.016 148 N CA 1.468 54.361 53.050 -0.261 0.000 0.866 148 N CB -0.157 38.231 38.487 -0.165 0.000 0.980 148 N HN 0.519 nan 8.380 nan 0.000 0.430 149 Y N 0.501 120.809 120.300 0.014 0.000 2.602 149 Y HA 0.250 4.853 4.550 0.089 0.000 0.342 149 Y C -0.120 175.845 175.900 0.108 0.000 1.029 149 Y CA -1.347 56.783 58.100 0.049 0.000 1.080 149 Y CB 0.784 39.279 38.460 0.060 0.000 1.284 149 Y HN -0.215 nan 8.280 nan 0.000 0.485 150 D N 0.900 121.465 120.400 0.275 0.000 2.506 150 D HA 0.208 4.902 4.640 0.089 0.000 0.234 150 D C -0.767 175.724 176.300 0.318 0.000 1.143 150 D CA 0.599 54.749 54.000 0.250 0.000 0.871 150 D CB 0.727 41.652 40.800 0.209 0.000 1.190 150 D HN 0.129 nan 8.370 nan 0.000 0.459 151 V N 1.803 121.932 119.914 0.358 0.000 2.604 151 V HA 0.469 4.643 4.120 0.089 0.000 0.305 151 V C 0.115 176.403 176.094 0.323 0.000 1.043 151 V CA -0.773 61.748 62.300 0.369 0.000 0.888 151 V CB 1.734 33.828 31.823 0.452 0.000 0.995 151 V HN 0.914 nan 8.190 nan 0.000 0.429 152 C N 3.301 122.764 119.300 0.273 0.000 2.712 152 C HA 0.908 5.421 4.460 0.089 0.000 0.308 152 C C -0.581 174.514 174.990 0.175 0.000 1.201 152 C CA -0.751 58.407 59.018 0.234 0.000 1.554 152 C CB 0.956 28.851 27.740 0.260 0.000 2.117 152 C HN 0.582 nan 8.230 nan 0.000 0.480 153 V N 3.313 123.316 119.914 0.148 0.000 2.394 153 V HA 0.571 4.744 4.120 0.089 0.000 0.282 153 V C 0.054 176.147 176.094 -0.001 0.000 1.031 153 V CA -0.234 62.137 62.300 0.118 0.000 0.881 153 V CB 1.292 33.247 31.823 0.220 0.000 0.982 153 V HN 0.849 nan 8.190 nan 0.000 0.451 154 V N 5.380 125.177 119.914 -0.195 0.000 2.483 154 V HA 0.474 4.647 4.120 0.089 0.000 0.295 154 V C -0.145 175.585 176.094 -0.607 0.000 1.035 154 V CA -0.658 61.243 62.300 -0.666 0.000 0.896 154 V CB 1.902 33.037 31.823 -1.147 0.000 0.986 154 V HN 0.594 nan 8.190 nan 0.000 0.447 155 V N 3.739 123.240 119.914 -0.689 0.000 2.313 155 V HA 0.363 4.536 4.120 0.089 0.000 0.278 155 V C -0.721 175.117 176.094 -0.426 0.000 1.017 155 V CA -0.657 61.356 62.300 -0.479 0.000 0.823 155 V CB 0.789 32.321 31.823 -0.486 0.000 1.010 155 V HN 0.890 nan 8.190 nan 0.000 0.443 156 W N 3.724 124.958 121.300 -0.110 0.000 2.316 156 W HA 0.518 5.231 4.660 0.088 0.000 0.321 156 W C 0.094 176.655 176.519 0.070 0.000 1.203 156 W CA -0.712 56.612 57.345 -0.036 0.000 1.214 156 W CB 0.708 30.150 29.460 -0.029 0.000 1.169 156 W HN 0.545 nan 8.180 nan 0.000 0.561 157 F N 4.318 124.404 119.950 0.226 0.000 2.484 157 F HA 0.115 4.696 4.527 0.090 0.000 0.360 157 F C 0.982 176.870 175.800 0.146 0.000 1.101 157 F CA -0.580 57.507 58.000 0.145 0.000 1.251 157 F CB 0.324 39.402 39.000 0.129 0.000 1.132 157 F HN 0.544 nan 8.300 nan 0.000 0.570 158 N N 3.657 121.879 118.700 -0.797 0.000 2.669 158 N HA -0.250 4.543 4.740 0.089 0.000 0.266 158 N C 0.376 175.717 175.510 -0.282 0.000 1.024 158 N CA 0.722 53.363 53.050 -0.682 0.000 0.766 158 N CB -0.853 36.992 38.487 -1.071 0.000 0.898 158 N HN 0.842 nan 8.380 nan 0.000 0.548 159 A N 0.826 123.516 122.820 -0.218 0.000 1.968 159 A HA -0.089 4.284 4.320 0.089 0.000 0.217 159 A C 1.911 179.353 177.584 -0.237 0.000 1.169 159 A CA 1.276 53.168 52.037 -0.242 0.000 0.638 159 A CB -0.102 18.659 19.000 -0.399 0.000 0.812 159 A HN 0.547 nan 8.150 nan 0.000 0.446 160 E N -0.892 119.171 120.200 -0.229 0.000 2.107 160 E HA -0.001 4.402 4.350 0.089 0.000 0.191 160 E C 1.411 178.059 176.600 0.080 0.000 0.982 160 E CA 0.868 57.213 56.400 -0.091 0.000 0.809 160 E CB -0.439 29.210 29.700 -0.084 0.000 0.756 160 E HN 0.784 nan 8.360 nan 0.000 0.459 161 G N 0.736 109.595 108.800 0.098 0.000 2.221 161 G HA2 -0.300 3.713 3.960 0.089 0.000 0.265 161 G HA3 -0.300 3.713 3.960 0.089 0.000 0.265 161 G C 0.855 175.868 174.900 0.187 0.000 1.041 161 G CA 0.832 46.091 45.100 0.264 0.000 0.807 161 G HN 0.486 nan 8.290 nan 0.000 0.502 162 A N -0.360 122.491 122.820 0.051 0.000 1.909 162 A HA 0.443 4.816 4.320 0.089 0.000 0.210 162 A C 2.092 179.627 177.584 -0.082 0.000 1.273 162 A CA 1.675 53.686 52.037 -0.043 0.000 0.654 162 A CB -0.165 18.780 19.000 -0.091 0.000 0.945 162 A HN 0.486 nan 8.150 nan 0.000 0.471 163 R N -1.800 118.626 120.500 -0.122 0.000 2.115 163 R HA 0.063 4.456 4.340 0.089 0.000 0.226 163 R C -0.832 175.133 176.300 -0.558 0.000 1.100 163 R CA 0.711 56.606 56.100 -0.342 0.000 0.980 163 R CB -0.062 29.991 30.300 -0.410 0.000 0.875 163 R HN 0.385 nan 8.270 nan 0.000 0.445 164 F N -0.367 119.613 119.950 0.049 0.000 2.493 164 F HA 0.444 5.027 4.527 0.094 0.000 0.329 164 F C 0.130 175.999 175.800 0.116 0.000 1.126 164 F CA -1.187 56.867 58.000 0.089 0.000 0.937 164 F CB 1.938 41.009 39.000 0.117 0.000 1.146 164 F HN -0.095 nan 8.300 nan 0.000 0.442 165 A N 3.686 126.673 122.820 0.278 0.000 3.046 165 A HA 0.447 4.820 4.320 0.089 0.000 0.259 165 A C 0.202 178.049 177.584 0.438 0.000 1.843 165 A CA 0.099 52.309 52.037 0.289 0.000 1.451 165 A CB -0.791 18.314 19.000 0.176 0.000 1.025 165 A HN 0.619 nan 8.150 nan 0.000 0.625 166 R N 0.452 121.208 120.500 0.427 0.000 2.585 166 R HA 0.277 4.671 4.340 0.089 0.000 0.288 166 R C -0.376 176.002 176.300 0.130 0.000 1.194 166 R CA 0.330 56.587 56.100 0.261 0.000 1.006 166 R CB 0.366 30.770 30.300 0.173 0.000 1.229 166 R HN 0.401 nan 8.270 nan 0.000 0.412 167 S N 1.849 117.496 115.700 -0.088 0.000 2.585 167 S HA 0.232 4.755 4.470 0.089 0.000 0.273 167 S C 0.363 174.903 174.600 -0.100 0.000 1.339 167 S CA 0.263 58.407 58.200 -0.093 0.000 1.028 167 S CB 0.743 63.821 63.200 -0.202 0.000 0.906 167 S HN 0.975 nan 8.310 nan 0.000 0.528 168 C N 1.913 121.163 119.300 -0.083 0.000 4.167 168 C HA -0.137 4.376 4.460 0.089 0.000 0.302 168 C C 1.779 176.753 174.990 -0.027 0.000 1.384 168 C CA 0.597 59.568 59.018 -0.078 0.000 2.041 168 C CB -3.428 24.249 27.740 -0.104 0.000 1.303 168 C HN 1.063 nan 8.230 nan 0.000 0.718 169 T N 0.693 115.253 114.554 0.009 0.000 2.643 169 T HA -0.076 4.327 4.350 0.089 0.000 0.264 169 T C 2.041 176.862 174.700 0.202 0.000 1.045 169 T CA 2.139 64.298 62.100 0.099 0.000 1.155 169 T CB -0.235 68.709 68.868 0.126 0.000 0.863 169 T HN 0.877 nan 8.240 nan 0.000 0.420 170 G N 1.459 110.446 108.800 0.312 0.000 2.421 170 G HA2 -0.234 3.779 3.960 0.089 0.000 0.216 170 G HA3 -0.234 3.779 3.960 0.089 0.000 0.216 170 G C 1.942 177.076 174.900 0.391 0.000 1.171 170 G CA 1.490 46.860 45.100 0.449 0.000 0.775 170 G HN 0.630 nan 8.290 nan 0.000 0.543 171 S N 0.279 116.057 115.700 0.130 0.000 2.402 171 S HA -0.031 4.492 4.470 0.089 0.000 0.229 171 S C 2.390 176.998 174.600 0.014 0.000 1.021 171 S CA 1.603 59.630 58.200 -0.289 0.000 0.974 171 S CB -0.271 62.325 63.200 -1.007 0.000 0.800 171 S HN 0.205 nan 8.310 nan 0.000 0.484 172 S N 1.345 117.074 115.700 0.048 0.000 2.383 172 S HA 0.007 4.530 4.470 0.089 0.000 0.227 172 S C 1.922 176.621 174.600 0.165 0.000 1.026 172 S CA 1.139 59.387 58.200 0.080 0.000 0.981 172 S CB -0.484 62.731 63.200 0.026 0.000 0.818 172 S HN 0.455 nan 8.310 nan 0.000 0.472 173 V N 0.120 120.156 119.914 0.203 0.000 2.307 173 V HA -0.167 4.006 4.120 0.089 0.000 0.245 173 V C 1.844 178.138 176.094 0.334 0.000 1.045 173 V CA 1.670 64.091 62.300 0.202 0.000 1.024 173 V CB -0.759 31.156 31.823 0.153 0.000 0.651 173 V HN 0.706 nan 8.190 nan 0.000 0.449 174 W N 0.805 122.257 121.300 0.255 0.000 2.325 174 W HA -0.259 4.454 4.660 0.088 0.000 0.299 174 W C 2.748 179.492 176.519 0.375 0.000 1.215 174 W CA 1.950 59.508 57.345 0.353 0.000 1.244 174 W CB -0.172 29.590 29.460 0.504 0.000 1.140 174 W HN 0.174 nan 8.180 nan 0.000 0.523 175 S N -1.308 114.673 115.700 0.469 0.000 2.561 175 S HA -0.079 4.444 4.470 0.089 0.000 0.225 175 S C 0.479 175.251 174.600 0.286 0.000 0.977 175 S CA 1.032 59.386 58.200 0.258 0.000 0.926 175 S CB -0.687 62.690 63.200 0.294 0.000 0.769 175 S HN 0.558 nan 8.310 nan 0.000 0.533 176 H N -0.826 118.319 119.070 0.126 0.000 3.109 176 H HA -0.172 4.437 4.556 0.088 0.000 0.245 176 H C 0.479 175.848 175.328 0.068 0.000 1.187 176 H CA 0.705 56.810 56.048 0.094 0.000 1.136 176 H CB -1.514 28.324 29.762 0.127 0.000 1.243 176 H HN 0.436 nan 8.280 nan 0.000 0.328 177 D N 0.659 121.157 120.400 0.165 0.000 2.234 177 D HA 0.066 4.759 4.640 0.089 0.000 0.205 177 D C 0.496 176.821 176.300 0.041 0.000 0.962 177 D CA 0.583 54.625 54.000 0.070 0.000 0.855 177 D CB 0.431 41.247 40.800 0.026 0.000 0.951 177 D HN 0.247 nan 8.370 nan 0.000 0.500 178 L N 0.419 121.673 121.223 0.052 0.000 2.431 178 L HA 0.403 4.796 4.340 0.089 0.000 0.266 178 L C -0.593 176.278 176.870 0.002 0.000 0.978 178 L CA -0.727 54.128 54.840 0.025 0.000 0.822 178 L CB 1.801 43.879 42.059 0.033 0.000 1.310 178 L HN -0.028 nan 8.230 nan 0.000 0.409 179 S N 3.462 119.147 115.700 -0.024 0.000 2.576 179 S HA 0.186 4.709 4.470 0.089 0.000 0.276 179 S C 1.060 175.602 174.600 -0.096 0.000 1.339 179 S CA -0.298 57.862 58.200 -0.067 0.000 1.039 179 S CB 0.897 64.062 63.200 -0.058 0.000 0.902 179 S HN 0.806 nan 8.310 nan 0.000 0.516 180 L N 1.478 122.606 121.223 -0.159 0.000 2.083 180 L HA -0.028 4.365 4.340 0.089 0.000 0.209 180 L C 2.198 178.846 176.870 -0.370 0.000 1.083 180 L CA 1.968 56.616 54.840 -0.319 0.000 0.752 180 L CB -1.059 40.791 42.059 -0.349 0.000 0.899 180 L HN 0.831 nan 8.230 nan 0.000 0.433 181 E N -0.227 119.880 120.200 -0.156 0.000 2.077 181 E HA -0.241 4.162 4.350 0.089 0.000 0.193 181 E C 2.163 178.779 176.600 0.028 0.000 0.989 181 E CA 1.538 57.929 56.400 -0.015 0.000 0.800 181 E CB -0.242 29.460 29.700 0.005 0.000 0.746 181 E HN 0.621 nan 8.360 nan 0.000 0.452 182 E N 0.060 120.260 120.200 0.001 0.000 2.077 182 E HA -0.185 4.218 4.350 0.089 0.000 0.193 182 E C 1.990 178.622 176.600 0.054 0.000 0.989 182 E CA 0.972 57.392 56.400 0.033 0.000 0.800 182 E CB -0.102 29.612 29.700 0.023 0.000 0.746 182 E HN 0.262 nan 8.360 nan 0.000 0.452 183 A N 0.361 123.191 122.820 0.017 0.000 1.883 183 A HA -0.203 4.170 4.320 0.089 0.000 0.217 183 A C 1.943 179.595 177.584 0.114 0.000 1.186 183 A CA 1.405 53.468 52.037 0.044 0.000 0.624 183 A CB -0.925 18.074 19.000 -0.001 0.000 0.822 183 A HN 0.385 nan 8.150 nan 0.000 0.444 184 Y N 0.099 120.424 120.300 0.042 0.000 2.256 184 Y HA -0.103 4.500 4.550 0.087 0.000 0.288 184 Y C 2.644 178.576 175.900 0.053 0.000 1.155 184 Y CA 0.604 58.737 58.100 0.055 0.000 1.203 184 Y CB -1.096 37.399 38.460 0.059 0.000 0.980 184 Y HN 0.325 nan 8.280 nan 0.000 0.530 185 G N -0.903 108.021 108.800 0.206 0.000 2.985 185 G HA2 0.089 4.102 3.960 0.089 0.000 0.209 185 G HA3 0.089 4.102 3.960 0.089 0.000 0.209 185 G C 0.515 175.507 174.900 0.154 0.000 1.165 185 G CA -0.296 44.892 45.100 0.147 0.000 0.776 185 G HN 0.134 nan 8.290 nan 0.000 0.541 186 L N 1.793 123.110 121.223 0.157 0.000 2.499 186 L HA 0.187 4.580 4.340 0.089 0.000 0.273 186 L C 0.268 177.351 176.870 0.356 0.000 1.195 186 L CA -0.010 54.963 54.840 0.221 0.000 0.882 186 L CB 0.725 42.904 42.059 0.199 0.000 1.133 186 L HN 0.058 nan 8.230 nan 0.000 0.483 187 M N 2.296 122.119 119.600 0.372 0.000 2.363 187 M HA 0.264 4.797 4.480 0.089 0.000 0.343 187 M C 0.235 176.722 176.300 0.311 0.000 1.165 187 M CA -0.580 54.930 55.300 0.350 0.000 1.046 187 M CB 1.618 34.333 32.600 0.191 0.000 1.648 187 M HN 0.626 nan 8.290 nan 0.000 0.452 188 S N 1.643 117.431 115.700 0.147 0.000 2.579 188 S HA 0.511 5.034 4.470 0.089 0.000 0.275 188 S C -0.078 174.432 174.600 -0.150 0.000 1.345 188 S CA -0.788 57.239 58.200 -0.289 0.000 1.031 188 S CB 0.554 63.571 63.200 -0.305 0.000 0.892 188 S HN 0.491 nan 8.310 nan 0.000 0.529 189 V N 2.172 121.956 119.914 -0.217 0.000 2.581 189 V HA 0.696 4.869 4.120 0.089 0.000 0.303 189 V C 1.169 177.194 176.094 -0.114 0.000 1.041 189 V CA 0.162 62.391 62.300 -0.119 0.000 0.907 189 V CB 0.705 32.466 31.823 -0.104 0.000 0.994 189 V HN 1.531 nan 8.190 nan 0.000 0.442 190 G N 3.390 112.143 108.800 -0.078 0.000 2.198 190 G HA2 -0.197 3.816 3.960 0.089 0.000 0.260 190 G HA3 -0.197 3.816 3.960 0.089 0.000 0.260 190 G C -0.104 174.757 174.900 -0.064 0.000 1.025 190 G CA 0.384 45.442 45.100 -0.070 0.000 0.769 190 G HN 0.712 nan 8.290 nan 0.000 0.507 191 E N -1.110 119.055 120.200 -0.059 0.000 2.266 191 E HA 0.371 4.774 4.350 0.089 0.000 0.268 191 E C 0.396 176.977 176.600 -0.032 0.000 0.879 191 E CA -0.819 55.554 56.400 -0.045 0.000 0.762 191 E CB 1.583 31.253 29.700 -0.050 0.000 1.199 191 E HN 0.013 nan 8.360 nan 0.000 0.422 192 D N 1.727 122.112 120.400 -0.025 0.000 2.144 192 D HA -0.073 4.620 4.640 0.089 0.000 0.200 192 D C -0.254 176.041 176.300 -0.008 0.000 0.978 192 D CA 1.307 55.294 54.000 -0.021 0.000 0.833 192 D CB 0.413 41.202 40.800 -0.019 0.000 0.961 192 D HN 0.109 nan 8.370 nan 0.000 0.470 193 K N 0.996 121.397 120.400 0.001 0.000 2.414 193 K HA 0.317 4.690 4.320 0.089 0.000 0.251 193 K C -2.524 174.091 176.600 0.024 0.000 1.037 193 K CA -1.686 54.609 56.287 0.015 0.000 0.980 193 K CB 1.898 34.410 32.500 0.021 0.000 1.280 193 K HN 0.051 nan 8.250 nan 0.000 0.451 194 P HA -0.075 nan 4.420 nan 0.000 0.265 194 P C -0.716 176.634 177.300 0.083 0.000 1.193 194 P CA 0.101 63.228 63.100 0.045 0.000 0.765 194 P CB 0.544 32.273 31.700 0.050 0.000 0.823 195 E N 0.744 121.017 120.200 0.121 0.000 2.336 195 E HA 0.587 4.990 4.350 0.089 0.000 0.267 195 E C -0.792 175.992 176.600 0.306 0.000 0.906 195 E CA -1.036 55.471 56.400 0.177 0.000 0.781 195 E CB 1.392 31.187 29.700 0.158 0.000 1.261 195 E HN 0.321 nan 8.360 nan 0.000 0.436 196 S N 0.839 116.703 115.700 0.274 0.000 2.632 196 S HA 0.136 4.659 4.470 0.089 0.000 0.267 196 S C 1.162 175.924 174.600 0.270 0.000 1.276 196 S CA -0.580 57.796 58.200 0.292 0.000 0.998 196 S CB 1.386 64.707 63.200 0.202 0.000 0.953 196 S HN 0.454 nan 8.310 nan 0.000 0.547 197 V N 1.235 121.173 119.914 0.040 0.000 2.287 197 V HA -0.185 3.988 4.120 0.089 0.000 0.248 197 V C 2.015 178.115 176.094 0.010 0.000 1.053 197 V CA 2.417 64.605 62.300 -0.186 0.000 1.027 197 V CB -1.360 30.329 31.823 -0.223 0.000 0.646 197 V HN 0.935 nan 8.190 nan 0.000 0.447 198 Y N 1.346 121.605 120.300 -0.069 0.000 2.097 198 Y HA -0.290 4.312 4.550 0.087 0.000 0.282 198 Y C 2.419 178.234 175.900 -0.142 0.000 1.152 198 Y CA 2.291 60.236 58.100 -0.258 0.000 1.136 198 Y CB -0.377 37.826 38.460 -0.429 0.000 0.975 198 Y HN 0.327 nan 8.280 nan 0.000 0.498 199 D N -0.742 119.690 120.400 0.053 0.000 2.144 199 D HA -0.155 4.538 4.640 0.089 0.000 0.199 199 D C 2.379 178.678 176.300 -0.001 0.000 0.984 199 D CA 1.579 55.589 54.000 0.016 0.000 0.834 199 D CB -0.327 40.544 40.800 0.118 0.000 0.955 199 D HN 0.334 nan 8.370 nan 0.000 0.465 200 S N 0.251 116.002 115.700 0.084 0.000 2.348 200 S HA -0.091 4.433 4.470 0.089 0.000 0.221 200 S C 2.184 176.821 174.600 0.061 0.000 1.033 200 S CA 0.654 58.941 58.200 0.144 0.000 1.010 200 S CB -0.270 63.129 63.200 0.330 0.000 0.891 200 S HN 0.239 nan 8.310 nan 0.000 0.442 201 L N 0.996 122.194 121.223 -0.042 0.000 2.093 201 L HA -0.045 4.348 4.340 0.089 0.000 0.208 201 L C 2.667 179.467 176.870 -0.116 0.000 1.085 201 L CA 0.905 55.696 54.840 -0.081 0.000 0.755 201 L CB -0.362 41.573 42.059 -0.207 0.000 0.904 201 L HN 0.146 nan 8.230 nan 0.000 0.435 202 K N 0.443 120.686 120.400 -0.262 0.000 2.057 202 K HA -0.147 4.226 4.320 0.089 0.000 0.207 202 K C 1.846 178.376 176.600 -0.117 0.000 1.049 202 K CA 1.349 57.473 56.287 -0.272 0.000 0.931 202 K CB -0.288 31.961 32.500 -0.418 0.000 0.714 202 K HN 0.288 nan 8.250 nan 0.000 0.440 203 N N 1.107 119.773 118.700 -0.057 0.000 2.166 203 N HA -0.139 4.654 4.740 0.089 0.000 0.186 203 N C 1.791 177.319 175.510 0.030 0.000 1.019 203 N CA 1.373 54.423 53.050 -0.001 0.000 0.856 203 N CB -0.198 38.307 38.487 0.030 0.000 0.993 203 N HN 0.458 nan 8.380 nan 0.000 0.426 204 I N -4.090 116.523 120.570 0.072 0.000 3.793 204 I HA 0.358 4.581 4.170 0.089 0.000 0.315 204 I C 0.876 177.056 176.117 0.104 0.000 1.275 204 I CA 0.251 61.638 61.300 0.144 0.000 1.214 204 I CB -0.204 37.942 38.000 0.244 0.000 1.018 204 I HN -0.002 nan 8.210 nan 0.000 0.439 205 G N 1.360 110.151 108.800 -0.016 0.000 2.212 205 G HA2 -0.310 3.703 3.960 0.089 0.000 0.255 205 G HA3 -0.310 3.703 3.960 0.089 0.000 0.255 205 G C -0.133 174.545 174.900 -0.369 0.000 1.062 205 G CA 0.198 45.190 45.100 -0.180 0.000 0.815 205 G HN 0.595 nan 8.290 nan 0.000 0.497 206 Y N -0.673 119.600 120.300 -0.045 0.000 2.720 206 Y HA 0.471 5.075 4.550 0.089 0.000 0.268 206 Y C 1.311 177.176 175.900 -0.058 0.000 1.142 206 Y CA -0.679 57.403 58.100 -0.031 0.000 1.193 206 Y CB 0.595 39.052 38.460 -0.006 0.000 1.176 206 Y HN 0.318 nan 8.280 nan 0.000 0.542 207 I N 1.238 121.798 120.570 -0.016 0.000 2.281 207 I HA 0.252 4.475 4.170 0.089 0.000 0.293 207 I C 1.044 177.173 176.117 0.021 0.000 1.085 207 I CA -0.095 61.202 61.300 -0.006 0.000 1.257 207 I CB 0.267 38.202 38.000 -0.108 0.000 1.430 207 I HN 0.249 nan 8.210 nan 0.000 0.489 208 G N 3.817 112.664 108.800 0.078 0.000 2.557 208 G HA2 0.152 4.165 3.960 0.089 0.000 0.292 208 G HA3 0.152 4.165 3.960 0.089 0.000 0.292 208 G C 0.303 175.247 174.900 0.074 0.000 1.237 208 G CA -0.327 44.817 45.100 0.073 0.000 0.978 208 G HN 0.536 nan 8.290 nan 0.000 0.498 209 D N -0.724 119.711 120.400 0.059 0.000 2.327 209 D HA 0.043 4.736 4.640 0.089 0.000 0.205 209 D C 1.012 177.342 176.300 0.051 0.000 0.989 209 D CA 0.680 54.710 54.000 0.050 0.000 0.873 209 D CB 0.120 40.939 40.800 0.032 0.000 0.955 209 D HN 0.229 nan 8.370 nan 0.000 0.515 210 T N 3.288 117.877 114.554 0.058 0.000 2.888 210 T HA 0.186 4.589 4.350 0.089 0.000 0.301 210 T C -2.433 172.300 174.700 0.056 0.000 1.001 210 T CA -1.085 61.039 62.100 0.040 0.000 1.147 210 T CB 1.362 70.242 68.868 0.020 0.000 0.931 210 T HN -0.087 nan 8.240 nan 0.000 0.541 211 P HA 0.206 nan 4.420 nan 0.000 0.268 211 P C -0.757 176.597 177.300 0.089 0.000 1.204 211 P CA -0.307 62.818 63.100 0.042 0.000 0.768 211 P CB 0.346 32.047 31.700 0.002 0.000 0.842 212 A N 2.256 125.150 122.820 0.123 0.000 3.091 212 A HA 0.437 4.810 4.320 0.089 0.000 0.264 212 A C 0.290 177.998 177.584 0.207 0.000 1.673 212 A CA 0.292 52.473 52.037 0.240 0.000 1.362 212 A CB -0.922 18.202 19.000 0.208 0.000 1.137 212 A HN 0.394 nan 8.150 nan 0.000 0.617 213 S N 0.049 115.817 115.700 0.115 0.000 2.566 213 S HA 0.387 4.911 4.470 0.089 0.000 0.273 213 S C 0.415 174.696 174.600 -0.531 0.000 1.157 213 S CA -0.475 57.673 58.200 -0.087 0.000 0.938 213 S CB 0.489 63.698 63.200 0.014 0.000 1.087 213 S HN 0.918 nan 8.310 nan 0.000 0.474 214 Y N 3.867 123.419 120.300 -1.246 0.000 2.483 214 Y HA 0.195 4.799 4.550 0.089 0.000 0.291 214 Y C 1.506 177.020 175.900 -0.643 0.000 1.143 214 Y CA 1.260 58.465 58.100 -1.491 0.000 1.289 214 Y CB -0.206 37.007 38.460 -2.079 0.000 0.983 214 Y HN 0.576 nan 8.280 nan 0.000 0.556 215 K N 0.298 120.022 120.400 -1.126 0.000 2.305 215 K HA -0.024 4.349 4.320 0.089 0.000 0.199 215 K C 1.348 177.735 176.600 -0.354 0.000 1.047 215 K CA 1.340 57.157 56.287 -0.782 0.000 0.976 215 K CB 0.068 32.107 32.500 -0.769 0.000 0.765 215 K HN 0.539 nan 8.250 nan 0.000 0.474 216 E N -0.036 120.007 120.200 -0.261 0.000 2.364 216 E HA 0.002 4.405 4.350 0.089 0.000 0.203 216 E C 0.072 176.626 176.600 -0.075 0.000 0.888 216 E CA -0.025 56.295 56.400 -0.132 0.000 0.989 216 E CB 0.421 30.061 29.700 -0.100 0.000 0.985 216 E HN -0.010 nan 8.360 nan 0.000 0.499 217 N N 1.999 120.668 118.700 -0.052 0.000 2.817 217 N HA 0.069 4.862 4.740 0.089 0.000 0.234 217 N C -1.391 174.218 175.510 0.165 0.000 1.066 217 N CA 0.021 53.067 53.050 -0.007 0.000 0.926 217 N CB 0.405 38.833 38.487 -0.099 0.000 1.176 217 N HN -0.029 nan 8.380 nan 0.000 0.506 218 E N 1.896 122.175 120.200 0.131 0.000 2.313 218 E HA 0.406 4.809 4.350 0.089 0.000 0.272 218 E C 0.022 176.809 176.600 0.311 0.000 1.038 218 E CA -0.600 55.939 56.400 0.232 0.000 0.863 218 E CB 1.574 31.348 29.700 0.123 0.000 1.060 218 E HN 0.587 nan 8.360 nan 0.000 0.402 219 I N -1.600 119.226 120.570 0.428 0.000 2.892 219 I HA 0.407 4.630 4.170 0.089 0.000 0.306 219 I C -0.005 176.298 176.117 0.311 0.000 1.078 219 I CA -0.731 60.792 61.300 0.371 0.000 1.032 219 I CB 2.096 40.345 38.000 0.415 0.000 1.229 219 I HN 0.333 nan 8.210 nan 0.000 0.435 220 D N 2.377 122.939 120.400 0.271 0.000 2.271 220 D HA 0.434 5.128 4.640 0.089 0.000 0.206 220 D C 0.281 176.700 176.300 0.197 0.000 0.967 220 D CA 1.041 55.190 54.000 0.247 0.000 0.867 220 D CB 0.593 41.565 40.800 0.286 0.000 0.960 220 D HN 0.854 nan 8.370 nan 0.000 0.509 221 A N -1.226 121.676 122.820 0.136 0.000 2.544 221 A HA 0.422 4.795 4.320 0.089 0.000 0.291 221 A C -1.726 175.861 177.584 0.004 0.000 1.055 221 A CA -0.698 51.281 52.037 -0.097 0.000 0.651 221 A CB 0.882 19.535 19.000 -0.578 0.000 1.296 221 A HN 0.208 nan 8.150 nan 0.000 0.431 222 H N 0.455 119.342 119.070 -0.305 0.000 2.924 222 H HA 0.598 5.207 4.556 0.088 0.000 0.333 222 H C -2.012 173.080 175.328 -0.393 0.000 0.979 222 H CA -0.278 55.666 56.048 -0.174 0.000 1.326 222 H CB 0.750 30.486 29.762 -0.044 0.000 1.600 222 H HN 0.461 nan 8.280 nan 0.000 0.520 223 F N 2.717 122.407 119.950 -0.433 0.000 2.469 223 F HA 0.289 4.869 4.527 0.088 0.000 0.332 223 F C 0.296 175.801 175.800 -0.492 0.000 1.103 223 F CA -0.608 57.148 58.000 -0.406 0.000 0.979 223 F CB 1.914 40.770 39.000 -0.240 0.000 1.137 223 F HN 0.496 nan 8.300 nan 0.000 0.463 224 E N 3.553 123.625 120.200 -0.214 0.000 2.265 224 E HA 0.398 4.802 4.350 0.089 0.000 0.262 224 E C -1.852 174.732 176.600 -0.027 0.000 0.889 224 E CA -0.996 55.325 56.400 -0.131 0.000 0.789 224 E CB 1.663 31.305 29.700 -0.096 0.000 1.221 224 E HN 0.600 nan 8.360 nan 0.000 0.414 225 L N 5.238 126.478 121.223 0.028 0.000 2.331 225 L HA 0.407 4.801 4.340 0.089 0.000 0.278 225 L C -1.128 175.825 176.870 0.138 0.000 1.106 225 L CA 0.138 55.020 54.840 0.069 0.000 0.824 225 L CB 0.845 42.932 42.059 0.047 0.000 1.142 225 L HN 0.625 nan 8.230 nan 0.000 0.443 226 H N 4.333 123.470 119.070 0.111 0.000 3.012 226 H HA 0.403 5.012 4.556 0.088 0.000 0.367 226 H C -0.814 174.538 175.328 0.039 0.000 1.211 226 H CA -0.612 55.501 56.048 0.108 0.000 1.139 226 H CB 1.890 31.730 29.762 0.131 0.000 1.838 226 H HN 0.733 nan 8.280 nan 0.000 0.550 227 I N -0.192 120.384 120.570 0.010 0.000 2.754 227 I HA 0.087 4.311 4.170 0.089 0.000 0.285 227 I C 1.513 177.435 176.117 -0.326 0.000 1.166 227 I CA -0.011 61.232 61.300 -0.094 0.000 1.417 227 I CB 0.792 38.727 38.000 -0.109 0.000 1.382 227 I HN 0.659 nan 8.210 nan 0.000 0.588 228 E N 3.169 123.025 120.200 -0.573 0.000 2.077 228 E HA -0.248 4.155 4.350 0.089 0.000 0.193 228 E C 0.692 176.927 176.600 -0.608 0.000 0.989 228 E CA 1.818 57.608 56.400 -1.016 0.000 0.800 228 E CB 0.044 29.435 29.700 -0.515 0.000 0.746 228 E HN 0.900 nan 8.360 nan 0.000 0.452 229 Q N -1.985 117.635 119.800 -0.300 0.000 2.374 229 Q HA -0.175 4.218 4.340 0.089 0.000 0.218 229 Q C -0.046 175.849 176.000 -0.175 0.000 0.691 229 Q CA 0.547 56.242 55.803 -0.181 0.000 1.340 229 Q CB -1.600 27.047 28.738 -0.153 0.000 1.498 229 Q HN 0.381 nan 8.270 nan 0.000 0.739 230 G N -0.629 108.055 108.800 -0.193 0.000 2.733 230 G HA2 0.597 4.610 3.960 0.089 0.000 0.288 230 G HA3 0.597 4.610 3.960 0.089 0.000 0.288 230 G C -2.758 172.063 174.900 -0.132 0.000 1.373 230 G CA -0.847 44.161 45.100 -0.153 0.000 0.895 230 G HN -0.121 nan 8.290 nan 0.000 0.479 231 P HA 0.176 nan 4.420 nan 0.000 0.261 231 P C 1.578 178.828 177.300 -0.083 0.000 1.268 231 P CA -0.081 62.968 63.100 -0.086 0.000 0.833 231 P CB 0.478 32.136 31.700 -0.069 0.000 1.231 232 I N -0.115 120.396 120.570 -0.098 0.000 2.142 232 I HA -0.236 3.987 4.170 0.089 0.000 0.240 232 I C 2.475 178.550 176.117 -0.069 0.000 1.078 232 I CA 1.428 62.675 61.300 -0.089 0.000 1.343 232 I CB -0.693 37.235 38.000 -0.119 0.000 1.046 232 I HN -0.133 nan 8.210 nan 0.000 0.405 233 L N 0.182 121.363 121.223 -0.069 0.000 2.046 233 L HA -0.221 4.173 4.340 0.089 0.000 0.208 233 L C 2.621 179.454 176.870 -0.062 0.000 1.077 233 L CA 1.446 56.249 54.840 -0.062 0.000 0.747 233 L CB -0.640 41.381 42.059 -0.064 0.000 0.896 233 L HN 0.338 nan 8.230 nan 0.000 0.432 234 E N 0.317 120.478 120.200 -0.064 0.000 2.047 234 E HA -0.237 4.166 4.350 0.089 0.000 0.191 234 E C 1.666 178.242 176.600 -0.040 0.000 0.987 234 E CA 1.374 57.743 56.400 -0.051 0.000 0.799 234 E CB 0.140 29.811 29.700 -0.049 0.000 0.752 234 E HN 0.404 nan 8.360 nan 0.000 0.449 235 D N 0.646 121.020 120.400 -0.042 0.000 2.149 235 D HA -0.154 4.540 4.640 0.089 0.000 0.198 235 D C 1.149 177.433 176.300 -0.027 0.000 0.990 235 D CA 1.141 55.121 54.000 -0.034 0.000 0.839 235 D CB -0.074 40.703 40.800 -0.038 0.000 0.948 235 D HN 0.344 nan 8.370 nan 0.000 0.460 236 E N -0.172 120.010 120.200 -0.031 0.000 2.463 236 E HA 0.074 4.477 4.350 0.089 0.000 0.193 236 E C -0.514 176.074 176.600 -0.021 0.000 1.041 236 E CA -0.190 56.196 56.400 -0.023 0.000 0.879 236 E CB -0.159 29.527 29.700 -0.023 0.000 0.997 236 E HN 0.288 nan 8.360 nan 0.000 0.478 237 N N 2.158 120.842 118.700 -0.026 0.000 2.725 237 N HA -0.154 4.639 4.740 0.089 0.000 0.251 237 N C -0.993 174.497 175.510 -0.033 0.000 1.031 237 N CA 0.569 53.604 53.050 -0.025 0.000 0.720 237 N CB -0.449 38.031 38.487 -0.011 0.000 0.930 237 N HN 0.023 nan 8.380 nan 0.000 0.543 238 K N 0.025 120.394 120.400 -0.052 0.000 2.164 238 K HA 0.616 4.989 4.320 0.089 0.000 0.258 238 K C 0.885 177.411 176.600 -0.122 0.000 0.951 238 K CA -0.194 56.047 56.287 -0.077 0.000 0.844 238 K CB 1.708 34.166 32.500 -0.069 0.000 1.099 238 K HN 0.148 nan 8.250 nan 0.000 0.435 239 A N 2.581 125.283 122.820 -0.197 0.000 1.997 239 A HA 0.180 4.554 4.320 0.089 0.000 0.212 239 A C 0.543 177.915 177.584 -0.355 0.000 1.178 239 A CA 0.789 52.646 52.037 -0.301 0.000 0.698 239 A CB 0.309 19.030 19.000 -0.465 0.000 0.842 239 A HN 0.508 nan 8.150 nan 0.000 0.458 240 I N -0.641 119.722 120.570 -0.344 0.000 2.569 240 I HA 0.442 4.665 4.170 0.089 0.000 0.290 240 I C -0.095 175.921 176.117 -0.168 0.000 1.088 240 I CA -0.374 60.751 61.300 -0.292 0.000 1.047 240 I CB 1.265 39.002 38.000 -0.437 0.000 1.237 240 I HN 0.094 nan 8.210 nan 0.000 0.421 241 G N 6.358 115.117 108.800 -0.068 0.000 2.368 241 G HA2 0.668 4.681 3.960 0.089 0.000 0.320 241 G HA3 0.668 4.681 3.960 0.089 0.000 0.320 241 G C -0.510 174.331 174.900 -0.097 0.000 1.158 241 G CA -0.395 44.686 45.100 -0.032 0.000 0.912 241 G HN 0.474 nan 8.290 nan 0.000 0.456 242 I N 2.909 123.417 120.570 -0.104 0.000 2.308 242 I HA 0.084 4.307 4.170 0.089 0.000 0.293 242 I C 0.046 176.104 176.117 -0.098 0.000 1.078 242 I CA -0.488 60.753 61.300 -0.097 0.000 1.292 242 I CB 1.310 39.280 38.000 -0.051 0.000 1.423 242 I HN 0.021 nan 8.210 nan 0.000 0.493 243 V N 5.805 125.608 119.914 -0.185 0.000 2.455 243 V HA 0.070 4.243 4.120 0.089 0.000 0.273 243 V C 1.294 177.462 176.094 0.124 0.000 1.045 243 V CA 0.020 62.216 62.300 -0.174 0.000 0.976 243 V CB 0.917 32.457 31.823 -0.472 0.000 0.993 243 V HN 0.898 nan 8.190 nan 0.000 0.475 244 T N 0.644 115.299 114.554 0.168 0.000 3.001 244 T HA 0.502 4.905 4.350 0.089 0.000 0.251 244 T C 0.680 175.445 174.700 0.109 0.000 1.040 244 T CA 0.443 62.660 62.100 0.194 0.000 0.985 244 T CB 0.596 69.534 68.868 0.118 0.000 1.011 244 T HN 1.075 nan 8.240 nan 0.000 0.509 245 G N 0.010 108.808 108.800 -0.004 0.000 2.441 245 G HA2 0.509 4.522 3.960 0.089 0.000 0.294 245 G HA3 0.509 4.522 3.960 0.089 0.000 0.294 245 G C -2.249 172.529 174.900 -0.203 0.000 1.393 245 G CA -0.504 44.377 45.100 -0.365 0.000 0.796 245 G HN 0.300 nan 8.290 nan 0.000 0.494 246 V N 0.826 120.585 119.914 -0.257 0.000 2.760 246 V HA 0.503 4.677 4.120 0.089 0.000 0.309 246 V C 0.318 176.394 176.094 -0.029 0.000 1.077 246 V CA -0.835 61.461 62.300 -0.007 0.000 0.910 246 V CB 1.518 33.335 31.823 -0.009 0.000 1.008 246 V HN 1.147 nan 8.190 nan 0.000 0.424 247 Q N 3.755 123.607 119.800 0.087 0.000 2.492 247 Q HA 0.626 5.019 4.340 0.089 0.000 0.238 247 Q C 0.082 176.120 176.000 0.064 0.000 1.045 247 Q CA -0.107 55.674 55.803 -0.036 0.000 0.934 247 Q CB 0.989 29.728 28.738 0.002 0.000 1.276 247 Q HN 0.916 nan 8.270 nan 0.000 0.521 248 A N 1.896 124.726 122.820 0.017 0.000 2.340 248 A HA 0.538 4.911 4.320 0.089 0.000 0.268 248 A C -1.023 176.676 177.584 0.190 0.000 1.100 248 A CA -0.384 51.665 52.037 0.019 0.000 0.803 248 A CB -0.032 18.952 19.000 -0.026 0.000 1.043 248 A HN 0.756 nan 8.150 nan 0.000 0.488 249 Y N -0.755 119.552 120.300 0.013 0.000 2.625 249 Y HA 0.737 5.340 4.550 0.088 0.000 0.338 249 Y C -0.941 174.997 175.900 0.063 0.000 1.123 249 Y CA -1.364 56.785 58.100 0.082 0.000 1.046 249 Y CB 1.323 39.847 38.460 0.107 0.000 1.299 249 Y HN 0.662 nan 8.280 nan 0.000 0.464 250 N N 0.612 119.550 118.700 0.396 0.000 2.369 250 N HA 0.459 5.252 4.740 0.089 0.000 0.287 250 N C -2.465 173.427 175.510 0.637 0.000 1.067 250 N CA -0.424 52.821 53.050 0.325 0.000 0.888 250 N CB 1.341 39.985 38.487 0.261 0.000 1.616 250 N HN 0.615 nan 8.380 nan 0.000 0.482 251 W N 2.197 123.625 121.300 0.214 0.000 2.529 251 W HA 0.539 5.263 4.660 0.107 0.000 0.321 251 W C -0.285 176.326 176.519 0.153 0.000 1.047 251 W CA -0.506 56.949 57.345 0.183 0.000 1.216 251 W CB 1.337 30.891 29.460 0.158 0.000 1.357 251 W HN 0.403 nan 8.180 nan 0.000 0.489 252 Q N 1.627 121.627 119.800 0.334 0.000 2.451 252 Q HA 0.460 4.853 4.340 0.089 0.000 0.281 252 Q C -0.991 175.075 176.000 0.111 0.000 1.099 252 Q CA -1.183 54.755 55.803 0.226 0.000 0.806 252 Q CB 3.790 32.684 28.738 0.259 0.000 1.419 252 Q HN 0.303 nan 8.270 nan 0.000 0.427 253 K N 1.446 121.881 120.400 0.057 0.000 2.358 253 K HA 0.508 4.881 4.320 0.089 0.000 0.260 253 K C -1.474 175.057 176.600 -0.114 0.000 0.956 253 K CA -0.428 55.830 56.287 -0.049 0.000 0.834 253 K CB 1.502 33.992 32.500 -0.016 0.000 1.102 253 K HN 0.348 nan 8.250 nan 0.000 0.431 254 V N 3.128 122.825 119.914 -0.363 0.000 2.483 254 V HA 0.358 4.531 4.120 0.089 0.000 0.295 254 V C -0.388 175.468 176.094 -0.396 0.000 1.035 254 V CA -0.505 61.546 62.300 -0.416 0.000 0.896 254 V CB 1.892 33.245 31.823 -0.783 0.000 0.986 254 V HN 0.822 nan 8.190 nan 0.000 0.447 255 T N 4.186 118.632 114.554 -0.180 0.000 2.791 255 T HA 0.496 4.899 4.350 0.089 0.000 0.288 255 T C -0.436 174.122 174.700 -0.237 0.000 0.999 255 T CA -0.340 61.638 62.100 -0.203 0.000 0.952 255 T CB 1.437 70.198 68.868 -0.179 0.000 0.938 255 T HN 0.320 nan 8.240 nan 0.000 0.444 256 V N 5.067 124.861 119.914 -0.200 0.000 2.394 256 V HA 0.320 4.493 4.120 0.089 0.000 0.282 256 V C -0.137 175.815 176.094 -0.237 0.000 1.031 256 V CA -0.823 61.409 62.300 -0.113 0.000 0.881 256 V CB 0.773 32.609 31.823 0.022 0.000 0.982 256 V HN 0.820 nan 8.190 nan 0.000 0.451 257 H N 3.826 122.953 119.070 0.094 0.000 2.581 257 H HA 0.563 5.176 4.556 0.096 0.000 0.308 257 H C 0.422 175.789 175.328 0.064 0.000 1.040 257 H CA 0.128 56.218 56.048 0.069 0.000 1.231 257 H CB 1.877 31.673 29.762 0.056 0.000 1.396 257 H HN 0.809 nan 8.280 nan 0.000 0.467 258 G N 1.586 110.478 108.800 0.153 0.000 3.099 258 G HA2 0.470 4.484 3.960 0.089 0.000 0.151 258 G HA3 0.470 4.484 3.960 0.089 0.000 0.151 258 G C -0.825 174.132 174.900 0.094 0.000 1.265 258 G CA -0.412 44.753 45.100 0.108 0.000 0.981 258 G HN 0.388 nan 8.290 nan 0.000 0.601 259 V N 0.394 120.349 119.914 0.067 0.000 2.569 259 V HA 0.606 4.779 4.120 0.089 0.000 0.301 259 V C 0.569 176.687 176.094 0.039 0.000 1.044 259 V CA -0.507 61.825 62.300 0.052 0.000 0.874 259 V CB 1.246 33.094 31.823 0.042 0.000 1.002 259 V HN 0.972 nan 8.190 nan 0.000 0.424 260 G N 3.178 112.000 108.800 0.036 0.000 2.361 260 G HA2 0.617 4.630 3.960 0.089 0.000 0.260 260 G HA3 0.617 4.630 3.960 0.089 0.000 0.260 260 G C -0.094 174.815 174.900 0.015 0.000 1.261 260 G CA 0.702 45.815 45.100 0.022 0.000 0.897 260 G HN 1.304 nan 8.290 nan 0.000 0.499 261 A N 2.252 125.075 122.820 0.005 0.000 2.602 261 A HA 0.609 4.983 4.320 0.089 0.000 0.290 261 A C -0.733 176.861 177.584 0.016 0.000 1.114 261 A CA -0.789 51.258 52.037 0.017 0.000 0.683 261 A CB 0.978 19.987 19.000 0.016 0.000 1.281 261 A HN 0.823 nan 8.150 nan 0.000 0.416 262 H N 1.162 120.204 119.070 -0.046 0.000 2.929 262 H HA 0.368 4.979 4.556 0.092 0.000 0.317 262 H C 1.337 176.614 175.328 -0.085 0.000 1.031 262 H CA 0.770 56.785 56.048 -0.056 0.000 1.466 262 H CB 1.498 31.230 29.762 -0.050 0.000 1.482 262 H HN 0.741 nan 8.280 nan 0.000 0.561 263 A N 3.903 126.759 122.820 0.060 0.000 2.067 263 A HA -0.071 4.302 4.320 0.089 0.000 0.219 263 A C 2.247 179.870 177.584 0.066 0.000 1.158 263 A CA 1.314 53.360 52.037 0.015 0.000 0.661 263 A CB -0.314 18.650 19.000 -0.060 0.000 0.801 263 A HN 0.775 nan 8.150 nan 0.000 0.452 264 G N -1.540 107.452 108.800 0.320 0.000 2.796 264 G HA2 0.151 4.164 3.960 0.089 0.000 0.210 264 G HA3 0.151 4.164 3.960 0.089 0.000 0.210 264 G C 1.236 176.066 174.900 -0.117 0.000 1.146 264 G CA 1.457 46.592 45.100 0.059 0.000 0.779 264 G HN 0.701 nan 8.290 nan 0.000 0.535 265 T N -3.072 111.380 114.554 -0.170 0.000 3.058 265 T HA 0.199 4.602 4.350 0.089 0.000 0.278 265 T C 0.482 175.097 174.700 -0.141 0.000 0.974 265 T CA -0.031 61.940 62.100 -0.215 0.000 0.893 265 T CB 0.571 69.228 68.868 -0.352 0.000 1.138 265 T HN -0.066 nan 8.240 nan 0.000 0.529 266 T N 5.730 120.213 114.554 -0.120 0.000 2.738 266 T HA 0.461 4.864 4.350 0.089 0.000 0.298 266 T C -2.587 171.995 174.700 -0.197 0.000 0.962 266 T CA -1.148 60.883 62.100 -0.114 0.000 0.972 266 T CB 1.241 70.061 68.868 -0.081 0.000 0.928 266 T HN 0.230 nan 8.240 nan 0.000 0.474 267 P HA 0.100 nan 4.420 nan 0.000 0.274 267 P C 0.300 177.530 177.300 -0.117 0.000 1.231 267 P CA -0.585 62.419 63.100 -0.160 0.000 0.790 267 P CB 1.023 32.700 31.700 -0.037 0.000 0.951 268 W N 1.824 123.129 121.300 0.008 0.000 2.290 268 W HA -0.248 4.462 4.660 0.084 0.000 0.318 268 W C 2.664 179.189 176.519 0.010 0.000 1.248 268 W CA 1.600 58.950 57.345 0.008 0.000 1.263 268 W CB -0.974 28.489 29.460 0.006 0.000 1.147 268 W HN 0.445 nan 8.180 nan 0.000 0.494 269 R N 0.333 120.967 120.500 0.224 0.000 2.249 269 R HA -0.098 4.296 4.340 0.089 0.000 0.230 269 R C 1.437 177.791 176.300 0.090 0.000 1.121 269 R CA 1.488 57.668 56.100 0.134 0.000 0.997 269 R CB -0.931 29.428 30.300 0.097 0.000 0.867 269 R HN 0.308 nan 8.270 nan 0.000 0.465 270 L N 0.188 121.452 121.223 0.069 0.000 2.731 270 L HA 0.270 4.663 4.340 0.089 0.000 0.240 270 L C 0.487 177.382 176.870 0.040 0.000 1.120 270 L CA -0.374 54.491 54.840 0.042 0.000 0.913 270 L CB 0.236 42.305 42.059 0.017 0.000 1.213 270 L HN 0.039 nan 8.230 nan 0.000 0.515 271 R N 1.389 121.923 120.500 0.056 0.000 2.490 271 R HA 0.213 4.606 4.340 0.089 0.000 0.280 271 R C -0.196 176.147 176.300 0.071 0.000 1.077 271 R CA 0.151 56.281 56.100 0.050 0.000 1.065 271 R CB 0.653 30.988 30.300 0.058 0.000 1.003 271 R HN -0.015 nan 8.270 nan 0.000 0.470 272 K N 2.102 122.537 120.400 0.058 0.000 2.753 272 K HA 0.082 4.456 4.320 0.089 0.000 0.185 272 K C -1.169 175.468 176.600 0.061 0.000 1.071 272 K CA -0.405 55.922 56.287 0.066 0.000 0.999 272 K CB 0.882 33.420 32.500 0.063 0.000 1.244 272 K HN 0.413 nan 8.250 nan 0.000 0.594 273 D N 1.433 121.873 120.400 0.066 0.000 2.365 273 D HA 0.171 4.864 4.640 0.089 0.000 0.237 273 D C 0.821 177.150 176.300 0.048 0.000 1.190 273 D CA -0.136 53.896 54.000 0.055 0.000 0.867 273 D CB 1.475 42.316 40.800 0.070 0.000 1.050 273 D HN 0.508 nan 8.370 nan 0.000 0.491 274 A N 4.065 126.910 122.820 0.042 0.000 2.014 274 A HA -0.119 4.254 4.320 0.089 0.000 0.218 274 A C 1.797 179.393 177.584 0.020 0.000 1.163 274 A CA 0.555 52.614 52.037 0.037 0.000 0.652 274 A CB -0.163 18.861 19.000 0.040 0.000 0.808 274 A HN 0.560 nan 8.150 nan 0.000 0.449 275 L N -0.986 120.245 121.223 0.013 0.000 2.162 275 L HA 0.079 4.472 4.340 0.089 0.000 0.205 275 L C 2.099 178.953 176.870 -0.026 0.000 1.086 275 L CA 1.447 56.281 54.840 -0.010 0.000 0.778 275 L CB -0.591 41.463 42.059 -0.008 0.000 0.928 275 L HN 0.319 nan 8.230 nan 0.000 0.446 276 L N -0.777 120.447 121.223 0.003 0.000 2.046 276 L HA -0.199 4.194 4.340 0.089 0.000 0.208 276 L C 2.436 179.294 176.870 -0.020 0.000 1.077 276 L CA 2.139 56.983 54.840 0.007 0.000 0.747 276 L CB -0.622 41.473 42.059 0.060 0.000 0.896 276 L HN 0.414 nan 8.230 nan 0.000 0.432 277 M N -1.045 118.548 119.600 -0.013 0.000 2.086 277 M HA -0.176 4.357 4.480 0.089 0.000 0.261 277 M C 2.330 178.570 176.300 -0.101 0.000 1.067 277 M CA 2.049 57.328 55.300 -0.034 0.000 1.116 277 M CB -0.535 32.062 32.600 -0.004 0.000 1.348 277 M HN 0.268 nan 8.290 nan 0.000 0.407 278 S N -0.542 115.090 115.700 -0.114 0.000 2.368 278 S HA -0.158 4.366 4.470 0.089 0.000 0.225 278 S C 2.047 176.415 174.600 -0.387 0.000 1.030 278 S CA 1.477 59.515 58.200 -0.269 0.000 0.999 278 S CB -0.667 62.405 63.200 -0.213 0.000 0.844 278 S HN 0.709 nan 8.310 nan 0.000 0.459 279 S N 1.367 116.930 115.700 -0.229 0.000 2.359 279 S HA -0.152 4.371 4.470 0.089 0.000 0.224 279 S C 1.781 176.292 174.600 -0.148 0.000 1.035 279 S CA 1.341 59.431 58.200 -0.182 0.000 1.018 279 S CB -0.239 62.898 63.200 -0.104 0.000 0.876 279 S HN 0.470 nan 8.310 nan 0.000 0.448 280 K N 0.153 120.485 120.400 -0.113 0.000 2.097 280 K HA 0.007 4.380 4.320 0.089 0.000 0.206 280 K C 2.291 178.848 176.600 -0.071 0.000 1.049 280 K CA 1.581 57.825 56.287 -0.072 0.000 0.933 280 K CB -0.245 32.230 32.500 -0.043 0.000 0.717 280 K HN 0.448 nan 8.250 nan 0.000 0.442 281 M N 0.360 119.872 119.600 -0.146 0.000 2.132 281 M HA -0.126 4.407 4.480 0.089 0.000 0.263 281 M C 2.134 178.391 176.300 -0.071 0.000 1.065 281 M CA 1.492 56.708 55.300 -0.141 0.000 1.122 281 M CB -0.259 32.047 32.600 -0.490 0.000 1.365 281 M HN 0.099 nan 8.290 nan 0.000 0.411 282 I N -0.520 119.917 120.570 -0.222 0.000 2.226 282 I HA -0.254 3.969 4.170 0.089 0.000 0.245 282 I C 2.259 178.361 176.117 -0.026 0.000 1.100 282 I CA 1.055 62.293 61.300 -0.103 0.000 1.374 282 I CB -0.336 37.557 38.000 -0.178 0.000 1.057 282 I HN 0.057 nan 8.210 nan 0.000 0.413 283 V N 0.913 120.803 119.914 -0.041 0.000 2.343 283 V HA -0.280 3.893 4.120 0.089 0.000 0.247 283 V C 2.684 178.767 176.094 -0.018 0.000 1.051 283 V CA 1.949 64.241 62.300 -0.014 0.000 1.036 283 V CB -1.077 30.734 31.823 -0.020 0.000 0.654 283 V HN 0.491 nan 8.190 nan 0.000 0.451 284 A N 0.118 122.935 122.820 -0.005 0.000 1.902 284 A HA -0.099 4.274 4.320 0.089 0.000 0.217 284 A C 2.434 179.998 177.584 -0.033 0.000 1.181 284 A CA 2.051 54.098 52.037 0.016 0.000 0.623 284 A CB -0.810 18.239 19.000 0.083 0.000 0.818 284 A HN 0.565 nan 8.150 nan 0.000 0.443 285 A N -0.848 121.907 122.820 -0.110 0.000 1.933 285 A HA -0.110 4.263 4.320 0.089 0.000 0.218 285 A C 2.474 179.795 177.584 -0.438 0.000 1.175 285 A CA 2.172 53.983 52.037 -0.376 0.000 0.628 285 A CB -0.917 17.542 19.000 -0.901 0.000 0.814 285 A HN 0.562 nan 8.150 nan 0.000 0.444 286 S N -0.498 115.020 115.700 -0.304 0.000 2.368 286 S HA -0.185 4.339 4.470 0.089 0.000 0.225 286 S C 1.876 176.519 174.600 0.072 0.000 1.030 286 S CA 1.638 59.868 58.200 0.050 0.000 0.999 286 S CB -0.355 62.941 63.200 0.159 0.000 0.844 286 S HN 0.677 nan 8.310 nan 0.000 0.459 287 E N 0.343 120.561 120.200 0.030 0.000 2.106 287 E HA -0.070 4.333 4.350 0.089 0.000 0.192 287 E C 2.042 178.677 176.600 0.059 0.000 0.984 287 E CA 1.247 57.671 56.400 0.039 0.000 0.806 287 E CB -0.234 29.476 29.700 0.016 0.000 0.750 287 E HN 0.544 nan 8.360 nan 0.000 0.458 288 I N 1.390 121.998 120.570 0.063 0.000 2.163 288 I HA -0.303 3.920 4.170 0.089 0.000 0.243 288 I C 2.572 178.826 176.117 0.229 0.000 1.085 288 I CA 1.161 62.531 61.300 0.116 0.000 1.347 288 I CB -0.286 37.742 38.000 0.047 0.000 1.044 288 I HN 0.084 nan 8.210 nan 0.000 0.408 289 A N -0.195 122.784 122.820 0.265 0.000 1.877 289 A HA -0.270 4.104 4.320 0.089 0.000 0.216 289 A C 2.273 180.013 177.584 0.260 0.000 1.186 289 A CA 1.593 53.834 52.037 0.340 0.000 0.620 289 A CB -0.691 18.574 19.000 0.441 0.000 0.822 289 A HN 0.460 nan 8.150 nan 0.000 0.443 290 Q N -1.081 118.829 119.800 0.183 0.000 2.096 290 Q HA -0.240 4.153 4.340 0.089 0.000 0.204 290 Q C 2.392 178.444 176.000 0.088 0.000 0.982 290 Q CA 1.781 57.660 55.803 0.127 0.000 0.850 290 Q CB -0.216 28.574 28.738 0.086 0.000 0.901 290 Q HN 0.717 nan 8.270 nan 0.000 0.422 291 R N -0.133 120.396 120.500 0.048 0.000 2.105 291 R HA -0.156 4.237 4.340 0.089 0.000 0.239 291 R C 1.281 177.481 176.300 -0.168 0.000 1.135 291 R CA 1.368 57.418 56.100 -0.083 0.000 0.967 291 R CB -0.005 30.205 30.300 -0.149 0.000 0.861 291 R HN 0.386 nan 8.270 nan 0.000 0.442 292 H N -0.433 118.672 119.070 0.059 0.000 2.529 292 H HA 0.064 4.673 4.556 0.088 0.000 0.277 292 H C 0.131 175.560 175.328 0.169 0.000 1.004 292 H CA 0.154 56.233 56.048 0.052 0.000 1.167 292 H CB 0.138 29.882 29.762 -0.030 0.000 1.445 292 H HN 0.257 nan 8.280 nan 0.000 0.554 293 N N 1.007 119.853 118.700 0.243 0.000 2.710 293 N HA -0.147 4.646 4.740 0.089 0.000 0.249 293 N C 0.431 176.135 175.510 0.324 0.000 1.059 293 N CA 0.728 53.923 53.050 0.241 0.000 0.720 293 N CB -0.842 37.759 38.487 0.190 0.000 0.983 293 N HN 0.601 nan 8.380 nan 0.000 0.544 294 G N -1.064 107.984 108.800 0.412 0.000 2.702 294 G HA2 0.756 4.770 3.960 0.089 0.000 0.254 294 G HA3 0.756 4.770 3.960 0.089 0.000 0.254 294 G C -0.519 174.561 174.900 0.301 0.000 1.380 294 G CA -0.659 44.695 45.100 0.423 0.000 1.042 294 G HN 0.184 nan 8.290 nan 0.000 0.557 295 L N -0.732 120.677 121.223 0.311 0.000 2.370 295 L HA 0.644 5.037 4.340 0.089 0.000 0.266 295 L C -1.405 175.647 176.870 0.304 0.000 1.002 295 L CA -0.743 54.246 54.840 0.248 0.000 0.818 295 L CB 2.517 44.670 42.059 0.156 0.000 1.325 295 L HN 0.509 nan 8.230 nan 0.000 0.418 296 F N 0.717 120.678 119.950 0.018 0.000 2.569 296 F HA 0.723 5.300 4.527 0.084 0.000 0.312 296 F C -1.029 174.673 175.800 -0.164 0.000 1.109 296 F CA -0.070 57.806 58.000 -0.207 0.000 0.919 296 F CB 2.290 41.097 39.000 -0.322 0.000 1.211 296 F HN 0.337 nan 8.300 nan 0.000 0.446 297 T N 4.576 118.401 114.554 -1.215 0.000 2.952 297 T HA 0.318 4.721 4.350 0.089 0.000 0.305 297 T C -1.716 172.284 174.700 -1.167 0.000 1.064 297 T CA -0.568 60.963 62.100 -0.949 0.000 1.008 297 T CB 1.204 69.795 68.868 -0.462 0.000 1.078 297 T HN 0.786 nan 8.240 nan 0.000 0.459 298 C N 2.713 121.549 119.300 -0.772 0.000 2.251 298 C HA 0.755 5.269 4.460 0.089 0.000 0.323 298 C C 1.540 176.382 174.990 -0.246 0.000 1.241 298 C CA -0.046 58.740 59.018 -0.386 0.000 1.601 298 C CB -0.990 26.672 27.740 -0.130 0.000 2.251 298 C HN 1.145 nan 8.230 nan 0.000 0.488 299 G N 4.776 113.437 108.800 -0.230 0.000 2.939 299 G HA2 0.298 4.311 3.960 0.089 0.000 0.216 299 G HA3 0.298 4.311 3.960 0.089 0.000 0.216 299 G C 0.188 175.011 174.900 -0.128 0.000 1.125 299 G CA 0.176 45.166 45.100 -0.183 0.000 0.766 299 G HN 0.670 nan 8.290 nan 0.000 0.541 300 I N 0.706 121.218 120.570 -0.096 0.000 2.499 300 I HA 0.556 4.779 4.170 0.089 0.000 0.288 300 I C -1.468 174.663 176.117 0.023 0.000 1.048 300 I CA -0.798 60.471 61.300 -0.051 0.000 1.062 300 I CB 2.630 40.587 38.000 -0.072 0.000 1.238 300 I HN -0.078 nan 8.210 nan 0.000 0.426 301 I N 5.631 126.217 120.570 0.028 0.000 2.692 301 I HA 0.430 4.653 4.170 0.089 0.000 0.293 301 I C -1.942 174.209 176.117 0.058 0.000 1.200 301 I CA -0.201 61.143 61.300 0.073 0.000 1.036 301 I CB 2.178 40.203 38.000 0.042 0.000 1.258 301 I HN 0.488 nan 8.210 nan 0.000 0.421 302 D N 7.006 127.451 120.400 0.076 0.000 2.936 302 D HA 0.517 5.211 4.640 0.089 0.000 0.238 302 D C -1.109 175.245 176.300 0.090 0.000 1.248 302 D CA -0.282 53.760 54.000 0.070 0.000 0.903 302 D CB 2.405 43.223 40.800 0.030 0.000 1.544 302 D HN 0.564 nan 8.370 nan 0.000 0.543 303 A N 2.466 125.366 122.820 0.134 0.000 2.324 303 A HA 0.638 5.012 4.320 0.089 0.000 0.330 303 A C -0.218 177.462 177.584 0.159 0.000 1.165 303 A CA -0.569 51.543 52.037 0.126 0.000 0.813 303 A CB 1.232 20.293 19.000 0.101 0.000 1.197 303 A HN 0.387 nan 8.150 nan 0.000 0.484 304 K N 2.494 122.958 120.400 0.107 0.000 2.318 304 K HA 0.478 4.851 4.320 0.089 0.000 0.249 304 K C -2.252 174.396 176.600 0.080 0.000 0.942 304 K CA -1.786 54.562 56.287 0.103 0.000 0.808 304 K CB 2.361 34.905 32.500 0.073 0.000 1.189 304 K HN 0.426 nan 8.250 nan 0.000 0.428 305 P HA -0.046 nan 4.420 nan 0.000 0.255 305 P C -0.872 176.534 177.300 0.176 0.000 1.248 305 P CA 0.088 63.245 63.100 0.094 0.000 0.807 305 P CB 0.005 31.739 31.700 0.057 0.000 1.150 306 Y N -0.461 119.833 120.300 -0.010 0.000 2.924 306 Y HA -0.143 4.396 4.550 -0.018 0.000 0.085 306 Y C -0.914 174.973 175.900 -0.021 0.000 2.077 306 Y CA 0.559 58.651 58.100 -0.014 0.000 1.050 306 Y CB -1.764 36.691 38.460 -0.008 0.000 1.711 306 Y HN 0.138 nan 8.280 nan 0.000 0.318 307 S N 2.421 118.039 115.700 -0.137 0.000 2.537 307 S HA 0.551 5.074 4.470 0.089 0.000 0.271 307 S C 0.286 174.783 174.600 -0.172 0.000 1.148 307 S CA -0.338 57.782 58.200 -0.132 0.000 0.868 307 S CB 1.374 64.534 63.200 -0.068 0.000 1.115 307 S HN 0.503 nan 8.310 nan 0.000 0.461 308 V N 3.262 123.081 119.914 -0.159 0.000 2.324 308 V HA -0.153 4.020 4.120 0.089 0.000 0.250 308 V C 1.624 177.645 176.094 -0.121 0.000 1.060 308 V CA 2.344 64.561 62.300 -0.137 0.000 1.042 308 V CB -0.802 30.958 31.823 -0.104 0.000 0.650 308 V HN 0.908 nan 8.190 nan 0.000 0.450 309 N N -0.355 118.264 118.700 -0.135 0.000 2.321 309 N HA 0.234 5.027 4.740 0.089 0.000 0.242 309 N C -0.358 175.015 175.510 -0.228 0.000 1.141 309 N CA -0.005 52.940 53.050 -0.175 0.000 0.864 309 N CB -0.050 38.313 38.487 -0.207 0.000 1.100 309 N HN 0.463 nan 8.380 nan 0.000 0.510 310 I N 0.903 121.381 120.570 -0.153 0.000 2.418 310 I HA 0.355 4.578 4.170 0.089 0.000 0.287 310 I C 0.040 176.112 176.117 -0.075 0.000 1.008 310 I CA -1.066 60.163 61.300 -0.118 0.000 1.104 310 I CB 1.988 39.938 38.000 -0.084 0.000 1.264 310 I HN -0.148 nan 8.210 nan 0.000 0.438 311 I N 7.982 128.517 120.570 -0.058 0.000 2.742 311 I HA 0.011 4.234 4.170 0.089 0.000 0.287 311 I C -2.019 174.091 176.117 -0.012 0.000 1.186 311 I CA -1.158 60.121 61.300 -0.034 0.000 1.417 311 I CB -0.170 37.813 38.000 -0.029 0.000 1.377 311 I HN 0.205 nan 8.210 nan 0.000 0.556 312 P HA -0.013 nan 4.420 nan 0.000 0.264 312 P C 0.764 178.084 177.300 0.033 0.000 1.193 312 P CA 0.277 63.388 63.100 0.018 0.000 0.763 312 P CB 0.771 32.483 31.700 0.020 0.000 0.810 313 G N 2.361 111.188 108.800 0.045 0.000 2.796 313 G HA2 0.012 4.025 3.960 0.089 0.000 0.210 313 G HA3 0.012 4.025 3.960 0.089 0.000 0.210 313 G C 0.097 175.048 174.900 0.084 0.000 1.146 313 G CA 0.241 45.379 45.100 0.063 0.000 0.779 313 G HN 0.546 nan 8.290 nan 0.000 0.535 314 E N -0.239 120.000 120.200 0.066 0.000 2.321 314 E HA 0.479 4.882 4.350 0.089 0.000 0.281 314 E C -1.925 174.692 176.600 0.028 0.000 0.910 314 E CA -0.502 55.924 56.400 0.042 0.000 0.770 314 E CB 2.561 32.310 29.700 0.083 0.000 1.225 314 E HN -0.101 nan 8.360 nan 0.000 0.417 315 V N 2.651 122.568 119.914 0.004 0.000 2.638 315 V HA 0.476 4.650 4.120 0.089 0.000 0.306 315 V C -0.558 175.569 176.094 0.055 0.000 1.052 315 V CA -0.726 61.607 62.300 0.055 0.000 0.885 315 V CB 2.063 33.938 31.823 0.088 0.000 0.999 315 V HN 0.647 nan 8.190 nan 0.000 0.424 316 S N 4.745 120.486 115.700 0.068 0.000 2.472 316 S HA 0.908 5.431 4.470 0.089 0.000 0.303 316 S C -0.816 173.865 174.600 0.135 0.000 1.099 316 S CA -0.477 57.737 58.200 0.022 0.000 1.077 316 S CB 1.211 64.403 63.200 -0.014 0.000 1.031 316 S HN 0.685 nan 8.310 nan 0.000 0.487 317 F N -0.548 119.384 119.950 -0.030 0.000 2.645 317 F HA 0.779 5.348 4.527 0.070 0.000 0.310 317 F C -0.225 175.565 175.800 -0.017 0.000 1.102 317 F CA -1.059 56.921 58.000 -0.033 0.000 0.952 317 F CB 0.783 39.761 39.000 -0.036 0.000 1.326 317 F HN 0.465 nan 8.300 nan 0.000 0.456 318 T N 0.641 115.259 114.554 0.107 0.000 2.929 318 T HA 0.784 5.187 4.350 0.089 0.000 0.284 318 T C -1.049 173.685 174.700 0.057 0.000 1.014 318 T CA -0.686 61.405 62.100 -0.014 0.000 1.051 318 T CB 1.646 70.438 68.868 -0.127 0.000 1.028 318 T HN 0.634 nan 8.240 nan 0.000 0.485 319 L N 2.557 123.805 121.223 0.043 0.000 2.372 319 L HA 0.476 4.869 4.340 0.089 0.000 0.274 319 L C -0.497 176.359 176.870 -0.023 0.000 0.988 319 L CA -0.451 54.452 54.840 0.104 0.000 0.833 319 L CB 1.805 44.147 42.059 0.472 0.000 1.236 319 L HN 0.757 nan 8.230 nan 0.000 0.410 320 D N 3.424 123.637 120.400 -0.311 0.000 2.460 320 D HA 0.323 5.016 4.640 0.089 0.000 0.232 320 D C -1.229 175.040 176.300 -0.051 0.000 1.079 320 D CA -0.152 53.775 54.000 -0.123 0.000 0.864 320 D CB 0.479 41.079 40.800 -0.332 0.000 1.048 320 D HN 0.143 nan 8.370 nan 0.000 0.523 321 F N 2.977 123.128 119.950 0.335 0.000 2.443 321 F HA 0.528 5.112 4.527 0.095 0.000 0.335 321 F C 0.926 176.908 175.800 0.304 0.000 1.104 321 F CA -0.670 57.529 58.000 0.333 0.000 1.013 321 F CB 1.426 40.607 39.000 0.302 0.000 1.136 321 F HN -0.006 nan 8.300 nan 0.000 0.470 322 R N 2.393 123.179 120.500 0.477 0.000 2.698 322 R HA 0.469 4.862 4.340 0.089 0.000 0.275 322 R C -1.662 174.844 176.300 0.344 0.000 1.001 322 R CA -1.018 55.303 56.100 0.367 0.000 0.896 322 R CB 2.751 33.219 30.300 0.279 0.000 1.218 322 R HN 0.672 nan 8.270 nan 0.000 0.462 323 H N 2.552 121.708 119.070 0.145 0.000 3.085 323 H HA 0.160 4.769 4.556 0.088 0.000 0.356 323 H C -2.211 173.074 175.328 -0.071 0.000 1.178 323 H CA -1.594 54.489 56.048 0.058 0.000 1.214 323 H CB 3.008 32.790 29.762 0.033 0.000 1.881 323 H HN 0.273 nan 8.280 nan 0.000 0.538 324 P HA -0.117 nan 4.420 nan 0.000 0.221 324 P C 0.527 177.680 177.300 -0.246 0.000 1.145 324 P CA 0.766 63.506 63.100 -0.601 0.000 0.795 324 P CB 0.417 31.453 31.700 -1.106 0.000 0.775 325 S N -0.102 115.683 115.700 0.141 0.000 2.442 325 S HA 0.192 4.716 4.470 0.089 0.000 0.297 325 S C 0.978 175.592 174.600 0.025 0.000 1.131 325 S CA -0.718 57.532 58.200 0.084 0.000 1.092 325 S CB 0.479 63.749 63.200 0.116 0.000 0.998 325 S HN -0.168 nan 8.310 nan 0.000 0.478 326 D N 3.593 123.963 120.400 -0.049 0.000 2.123 326 D HA -0.122 4.572 4.640 0.089 0.000 0.196 326 D C 1.004 177.252 176.300 -0.087 0.000 0.992 326 D CA 1.362 55.322 54.000 -0.068 0.000 0.833 326 D CB -0.001 40.749 40.800 -0.083 0.000 0.954 326 D HN 0.646 nan 8.370 nan 0.000 0.455 327 D N 0.176 120.520 120.400 -0.094 0.000 2.117 327 D HA -0.089 4.604 4.640 0.089 0.000 0.198 327 D C 2.325 178.520 176.300 -0.174 0.000 0.982 327 D CA 0.427 54.358 54.000 -0.115 0.000 0.828 327 D CB -0.137 40.607 40.800 -0.094 0.000 0.967 327 D HN 0.071 nan 8.370 nan 0.000 0.464 328 V N 1.157 120.932 119.914 -0.232 0.000 2.427 328 V HA -0.179 3.994 4.120 0.089 0.000 0.248 328 V C 2.447 178.299 176.094 -0.403 0.000 1.051 328 V CA 0.810 62.861 62.300 -0.415 0.000 1.048 328 V CB -0.379 30.970 31.823 -0.790 0.000 0.666 328 V HN 0.123 nan 8.190 nan 0.000 0.456 329 L N 1.192 122.273 121.223 -0.237 0.000 2.046 329 L HA -0.104 4.289 4.340 0.089 0.000 0.208 329 L C 2.463 179.211 176.870 -0.204 0.000 1.077 329 L CA 2.377 57.134 54.840 -0.138 0.000 0.747 329 L CB -0.935 41.122 42.059 -0.003 0.000 0.896 329 L HN 0.219 nan 8.230 nan 0.000 0.432 330 A N -1.668 121.043 122.820 -0.182 0.000 1.902 330 A HA -0.206 4.168 4.320 0.089 0.000 0.217 330 A C 2.264 179.709 177.584 -0.231 0.000 1.181 330 A CA 2.288 54.219 52.037 -0.177 0.000 0.623 330 A CB -1.201 17.719 19.000 -0.134 0.000 0.818 330 A HN 0.520 nan 8.150 nan 0.000 0.443 331 T N -0.032 114.355 114.554 -0.278 0.000 2.746 331 T HA -0.152 4.251 4.350 0.089 0.000 0.267 331 T C 1.946 176.381 174.700 -0.441 0.000 1.039 331 T CA 1.808 63.708 62.100 -0.333 0.000 1.142 331 T CB -0.311 68.338 68.868 -0.365 0.000 0.866 331 T HN 0.448 nan 8.240 nan 0.000 0.444 332 M N 0.416 119.693 119.600 -0.538 0.000 2.080 332 M HA -0.034 4.499 4.480 0.089 0.000 0.260 332 M C 2.173 178.106 176.300 -0.611 0.000 1.068 332 M CA 1.609 56.577 55.300 -0.553 0.000 1.109 332 M CB -0.537 31.787 32.600 -0.460 0.000 1.342 332 M HN 0.185 nan 8.290 nan 0.000 0.405 333 L N -0.488 120.400 121.223 -0.559 0.000 2.093 333 L HA -0.211 4.182 4.340 0.089 0.000 0.208 333 L C 2.577 179.239 176.870 -0.348 0.000 1.085 333 L CA 1.195 55.728 54.840 -0.512 0.000 0.755 333 L CB -0.621 41.254 42.059 -0.307 0.000 0.904 333 L HN 0.308 nan 8.230 nan 0.000 0.435 334 K N 0.371 120.607 120.400 -0.273 0.000 2.057 334 K HA -0.187 4.186 4.320 0.089 0.000 0.206 334 K C 1.937 178.416 176.600 -0.202 0.000 1.050 334 K CA 1.389 57.560 56.287 -0.194 0.000 0.935 334 K CB 0.087 32.494 32.500 -0.156 0.000 0.715 334 K HN 0.320 nan 8.250 nan 0.000 0.439 335 E N -0.150 119.909 120.200 -0.235 0.000 2.106 335 E HA -0.161 4.242 4.350 0.089 0.000 0.192 335 E C 1.889 178.326 176.600 -0.272 0.000 0.984 335 E CA 0.912 57.195 56.400 -0.195 0.000 0.806 335 E CB -0.034 29.582 29.700 -0.140 0.000 0.750 335 E HN 0.375 nan 8.360 nan 0.000 0.458 336 A N 1.456 124.028 122.820 -0.414 0.000 1.877 336 A HA -0.130 4.243 4.320 0.089 0.000 0.216 336 A C 2.390 179.442 177.584 -0.886 0.000 1.186 336 A CA 1.701 53.329 52.037 -0.683 0.000 0.620 336 A CB -0.659 17.924 19.000 -0.696 0.000 0.822 336 A HN 0.301 nan 8.150 nan 0.000 0.443 337 A N -0.182 122.346 122.820 -0.486 0.000 1.902 337 A HA 0.149 4.522 4.320 0.089 0.000 0.217 337 A C 2.495 180.043 177.584 -0.060 0.000 1.181 337 A CA 2.145 54.068 52.037 -0.190 0.000 0.623 337 A CB -0.985 17.993 19.000 -0.036 0.000 0.818 337 A HN 1.062 nan 8.150 nan 0.000 0.443 338 A N -0.443 122.318 122.820 -0.099 0.000 1.930 338 A HA -0.115 4.259 4.320 0.089 0.000 0.217 338 A C 1.982 179.561 177.584 -0.009 0.000 1.175 338 A CA 2.085 54.105 52.037 -0.029 0.000 0.627 338 A CB -0.418 18.555 19.000 -0.045 0.000 0.815 338 A HN 0.527 nan 8.150 nan 0.000 0.443 339 E N -0.541 119.612 120.200 -0.079 0.000 2.106 339 E HA -0.111 4.292 4.350 0.089 0.000 0.192 339 E C 1.545 178.229 176.600 0.139 0.000 0.984 339 E CA 1.123 57.517 56.400 -0.010 0.000 0.806 339 E CB -0.423 29.242 29.700 -0.059 0.000 0.750 339 E HN 0.489 nan 8.360 nan 0.000 0.458 340 F N 1.363 121.286 119.950 -0.045 0.000 2.134 340 F HA -0.107 4.478 4.527 0.097 0.000 0.299 340 F C 1.935 177.733 175.800 -0.004 0.000 1.097 340 F CA 1.297 59.209 58.000 -0.148 0.000 1.264 340 F CB -1.125 37.608 39.000 -0.445 0.000 1.001 340 F HN 0.109 nan 8.300 nan 0.000 0.479 341 D N -0.414 120.177 120.400 0.318 0.000 2.144 341 D HA -0.141 4.552 4.640 0.089 0.000 0.199 341 D C 2.434 178.841 176.300 0.179 0.000 0.984 341 D CA 0.860 55.035 54.000 0.292 0.000 0.834 341 D CB -0.321 40.606 40.800 0.212 0.000 0.955 341 D HN 0.176 nan 8.370 nan 0.000 0.465 342 R N 0.186 120.764 120.500 0.130 0.000 2.062 342 R HA -0.012 4.382 4.340 0.089 0.000 0.231 342 R C 2.391 178.745 176.300 0.089 0.000 1.136 342 R CA 0.668 56.822 56.100 0.090 0.000 0.948 342 R CB -0.333 30.005 30.300 0.062 0.000 0.845 342 R HN 0.165 nan 8.270 nan 0.000 0.430 343 L N 0.448 121.730 121.223 0.099 0.000 2.046 343 L HA -0.196 4.197 4.340 0.089 0.000 0.208 343 L C 2.467 179.380 176.870 0.072 0.000 1.077 343 L CA 0.861 55.745 54.840 0.074 0.000 0.747 343 L CB -0.325 41.777 42.059 0.071 0.000 0.896 343 L HN 0.257 nan 8.230 nan 0.000 0.432 344 I N -0.190 120.441 120.570 0.102 0.000 2.567 344 I HA -0.240 3.983 4.170 0.089 0.000 0.257 344 I C 2.084 178.266 176.117 0.109 0.000 1.184 344 I CA 1.428 62.800 61.300 0.121 0.000 1.451 344 I CB -0.179 37.956 38.000 0.226 0.000 1.089 344 I HN 0.110 nan 8.210 nan 0.000 0.441 345 K N 0.106 120.564 120.400 0.097 0.000 2.393 345 K HA 0.271 4.645 4.320 0.089 0.000 0.193 345 K C 0.490 177.126 176.600 0.060 0.000 1.026 345 K CA 0.270 56.604 56.287 0.078 0.000 1.064 345 K CB 0.145 32.688 32.500 0.073 0.000 0.833 345 K HN 0.282 nan 8.250 nan 0.000 0.521 346 I N 2.547 123.150 120.570 0.055 0.000 2.256 346 I HA 0.071 4.294 4.170 0.089 0.000 0.294 346 I C -0.579 175.564 176.117 0.043 0.000 1.127 346 I CA -0.357 60.968 61.300 0.041 0.000 1.247 346 I CB -0.296 37.723 38.000 0.032 0.000 1.460 346 I HN 0.006 nan 8.210 nan 0.000 0.511 347 N N 3.341 122.070 118.700 0.047 0.000 2.929 347 N HA 0.117 4.910 4.740 0.089 0.000 0.245 347 N C 0.006 175.551 175.510 0.058 0.000 1.081 347 N CA -0.325 52.760 53.050 0.057 0.000 1.048 347 N CB 1.246 39.773 38.487 0.067 0.000 1.629 347 N HN 0.178 nan 8.380 nan 0.000 0.598 348 D N 1.904 122.342 120.400 0.062 0.000 2.149 348 D HA -0.029 4.664 4.640 0.089 0.000 0.198 348 D C 1.740 178.078 176.300 0.064 0.000 0.990 348 D CA 1.727 55.764 54.000 0.061 0.000 0.839 348 D CB -0.165 40.677 40.800 0.070 0.000 0.948 348 D HN 0.739 nan 8.370 nan 0.000 0.460 349 G N -0.925 107.920 108.800 0.075 0.000 2.708 349 G HA2 0.301 4.314 3.960 0.089 0.000 0.210 349 G HA3 0.301 4.314 3.960 0.089 0.000 0.210 349 G C 0.715 175.648 174.900 0.055 0.000 1.141 349 G CA 0.686 45.825 45.100 0.065 0.000 0.788 349 G HN 0.602 nan 8.290 nan 0.000 0.531 350 G N -1.889 106.944 108.800 0.055 0.000 2.484 350 G HA2 0.466 4.479 3.960 0.089 0.000 0.685 350 G HA3 0.466 4.479 3.960 0.089 0.000 0.685 350 G C -0.156 174.779 174.900 0.059 0.000 1.294 350 G CA -0.410 44.721 45.100 0.051 0.000 0.879 350 G HN 1.201 nan 8.290 nan 0.000 0.646 351 A N 0.277 123.132 122.820 0.058 0.000 2.511 351 A HA 0.612 4.985 4.320 0.089 0.000 0.242 351 A C 0.799 178.432 177.584 0.081 0.000 1.069 351 A CA 0.526 52.605 52.037 0.070 0.000 0.763 351 A CB 0.193 19.234 19.000 0.069 0.000 1.001 351 A HN 1.365 nan 8.150 nan 0.000 0.498 352 L N 1.535 122.816 121.223 0.097 0.000 2.642 352 L HA 0.593 4.986 4.340 0.089 0.000 0.229 352 L C 1.097 178.054 176.870 0.146 0.000 1.179 352 L CA 0.694 55.605 54.840 0.117 0.000 0.834 352 L CB 0.770 42.898 42.059 0.115 0.000 1.515 352 L HN 0.917 nan 8.230 nan 0.000 0.512 353 S N -1.474 114.339 115.700 0.188 0.000 2.588 353 S HA 0.784 5.307 4.470 0.089 0.000 0.275 353 S C -1.276 173.505 174.600 0.301 0.000 1.130 353 S CA -0.712 57.614 58.200 0.211 0.000 0.855 353 S CB 1.755 65.044 63.200 0.148 0.000 1.116 353 S HN 0.562 nan 8.310 nan 0.000 0.472 354 Y N -0.816 119.553 120.300 0.115 0.000 2.588 354 Y HA 0.840 5.443 4.550 0.089 0.000 0.343 354 Y C -1.130 174.823 175.900 0.089 0.000 1.065 354 Y CA -1.011 57.129 58.100 0.066 0.000 1.038 354 Y CB 1.162 39.624 38.460 0.003 0.000 1.297 354 Y HN 0.929 nan 8.280 nan 0.000 0.467 355 E N 1.219 121.459 120.200 0.067 0.000 2.312 355 E HA 0.685 5.088 4.350 0.089 0.000 0.267 355 E C -1.499 175.162 176.600 0.100 0.000 0.894 355 E CA -1.335 55.059 56.400 -0.011 0.000 0.773 355 E CB 2.401 32.137 29.700 0.060 0.000 1.241 355 E HN 0.547 nan 8.360 nan 0.000 0.432 356 S N 0.396 116.144 115.700 0.079 0.000 2.526 356 S HA 0.307 4.830 4.470 0.089 0.000 0.293 356 S C -1.429 173.219 174.600 0.081 0.000 1.092 356 S CA -0.692 57.581 58.200 0.123 0.000 0.980 356 S CB 1.347 64.677 63.200 0.217 0.000 1.048 356 S HN 0.588 nan 8.310 nan 0.000 0.483 357 E N 2.475 122.722 120.200 0.078 0.000 2.224 357 E HA 0.420 4.823 4.350 0.089 0.000 0.265 357 E C -1.200 175.462 176.600 0.103 0.000 0.878 357 E CA -0.572 55.874 56.400 0.077 0.000 0.759 357 E CB 1.433 31.172 29.700 0.065 0.000 1.164 357 E HN 0.503 nan 8.360 nan 0.000 0.414 358 T N 5.377 119.993 114.554 0.103 0.000 2.794 358 T HA 0.187 4.590 4.350 0.089 0.000 0.296 358 T C 1.177 175.959 174.700 0.136 0.000 0.949 358 T CA -0.144 62.032 62.100 0.126 0.000 1.101 358 T CB 0.591 69.515 68.868 0.094 0.000 0.905 358 T HN 0.499 nan 8.240 nan 0.000 0.516 359 L N 1.874 123.216 121.223 0.198 0.000 2.253 359 L HA 0.304 4.697 4.340 0.089 0.000 0.205 359 L C 1.079 178.062 176.870 0.187 0.000 1.078 359 L CA 0.510 55.488 54.840 0.230 0.000 0.805 359 L CB 0.166 42.432 42.059 0.345 0.000 0.963 359 L HN 0.566 nan 8.230 nan 0.000 0.459 360 Q N 0.063 119.959 119.800 0.160 0.000 2.352 360 Q HA 0.388 4.781 4.340 0.089 0.000 0.270 360 Q C -1.919 174.029 176.000 -0.088 0.000 1.006 360 Q CA -0.301 55.480 55.803 -0.037 0.000 0.880 360 Q CB 2.987 31.567 28.738 -0.263 0.000 1.392 360 Q HN -0.144 nan 8.270 nan 0.000 0.401 361 V N 2.463 122.288 119.914 -0.149 0.000 2.378 361 V HA 0.499 4.672 4.120 0.089 0.000 0.288 361 V C -0.534 175.362 176.094 -0.329 0.000 1.016 361 V CA -0.459 61.730 62.300 -0.185 0.000 0.840 361 V CB 1.508 33.267 31.823 -0.106 0.000 0.994 361 V HN 0.671 nan 8.190 nan 0.000 0.431 362 S N 7.181 122.566 115.700 -0.525 0.000 2.622 362 S HA 0.548 5.071 4.470 0.089 0.000 0.283 362 S C -2.532 171.793 174.600 -0.458 0.000 1.197 362 S CA -1.376 56.431 58.200 -0.656 0.000 1.146 362 S CB 1.048 63.428 63.200 -1.366 0.000 1.007 362 S HN 0.521 nan 8.310 nan 0.000 0.478 363 P HA 0.190 nan 4.420 nan 0.000 0.270 363 P C -0.570 176.616 177.300 -0.189 0.000 1.223 363 P CA -0.201 62.780 63.100 -0.199 0.000 0.785 363 P CB 0.391 31.993 31.700 -0.164 0.000 0.923 364 A N 1.928 124.656 122.820 -0.154 0.000 2.531 364 A HA 0.278 4.651 4.320 0.089 0.000 0.236 364 A C -0.155 177.315 177.584 -0.191 0.000 1.062 364 A CA 0.252 52.192 52.037 -0.162 0.000 0.760 364 A CB -0.325 18.576 19.000 -0.165 0.000 0.995 364 A HN 0.367 nan 8.150 nan 0.000 0.501 365 V N 3.277 123.049 119.914 -0.238 0.000 2.540 365 V HA 0.254 4.427 4.120 0.089 0.000 0.302 365 V C -0.140 175.719 176.094 -0.390 0.000 1.035 365 V CA -0.691 61.426 62.300 -0.304 0.000 0.873 365 V CB 1.776 33.387 31.823 -0.353 0.000 0.992 365 V HN 0.979 nan 8.190 nan 0.000 0.428 366 N N 3.703 122.226 118.700 -0.296 0.000 2.419 366 N HA 0.566 5.359 4.740 0.089 0.000 0.277 366 N C -0.861 174.540 175.510 -0.182 0.000 1.006 366 N CA -0.524 52.376 53.050 -0.250 0.000 0.923 366 N CB 1.072 39.469 38.487 -0.148 0.000 1.140 366 N HN 0.426 nan 8.380 nan 0.000 0.488 367 F N 1.010 120.934 119.950 -0.044 0.000 2.403 367 F HA 0.113 4.693 4.527 0.088 0.000 0.320 367 F C 1.366 177.149 175.800 -0.029 0.000 1.176 367 F CA -0.258 57.722 58.000 -0.034 0.000 1.206 367 F CB 0.325 39.300 39.000 -0.041 0.000 1.235 367 F HN 0.384 nan 8.300 nan 0.000 0.565 368 H N 2.217 121.379 119.070 0.153 0.000 2.646 368 H HA 0.069 4.678 4.556 0.088 0.000 0.325 368 H C 0.855 176.196 175.328 0.021 0.000 1.075 368 H CA -0.033 56.039 56.048 0.041 0.000 1.421 368 H CB 1.119 30.873 29.762 -0.013 0.000 1.461 368 H HN 0.567 nan 8.280 nan 0.000 0.525 369 E N 3.731 123.970 120.200 0.065 0.000 2.204 369 E HA -0.115 4.288 4.350 0.089 0.000 0.195 369 E C 2.215 178.924 176.600 0.182 0.000 0.990 369 E CA 0.521 56.984 56.400 0.105 0.000 0.821 369 E CB 0.118 29.834 29.700 0.026 0.000 0.750 369 E HN 0.461 nan 8.360 nan 0.000 0.477 370 V N 0.681 120.816 119.914 0.368 0.000 2.255 370 V HA -0.317 3.857 4.120 0.089 0.000 0.247 370 V C 2.511 178.653 176.094 0.079 0.000 1.051 370 V CA 1.852 64.233 62.300 0.135 0.000 1.018 370 V CB -0.542 31.282 31.823 0.003 0.000 0.641 370 V HN 0.333 nan 8.190 nan 0.000 0.445 371 C N -0.543 118.764 119.300 0.011 0.000 2.457 371 C HA 0.003 4.516 4.460 0.089 0.000 0.278 371 C C 2.552 177.595 174.990 0.089 0.000 1.309 371 C CA 0.401 59.384 59.018 -0.058 0.000 1.735 371 C CB -0.884 26.563 27.740 -0.489 0.000 1.992 371 C HN 0.527 nan 8.230 nan 0.000 0.493 372 I N 1.197 121.806 120.570 0.066 0.000 2.208 372 I HA -0.220 4.003 4.170 0.089 0.000 0.245 372 I C 2.642 178.823 176.117 0.106 0.000 1.097 372 I CA 1.719 63.068 61.300 0.080 0.000 1.363 372 I CB -0.447 37.605 38.000 0.087 0.000 1.051 372 I HN 0.306 nan 8.210 nan 0.000 0.413 373 E N 0.706 120.971 120.200 0.108 0.000 2.051 373 E HA -0.207 4.196 4.350 0.089 0.000 0.192 373 E C 2.256 178.930 176.600 0.123 0.000 0.991 373 E CA 1.752 58.215 56.400 0.106 0.000 0.799 373 E CB -0.381 29.362 29.700 0.071 0.000 0.748 373 E HN 0.474 nan 8.360 nan 0.000 0.449 374 C N -0.559 118.833 119.300 0.154 0.000 2.413 374 C HA -0.080 4.433 4.460 0.089 0.000 0.276 374 C C 2.702 177.761 174.990 0.115 0.000 1.248 374 C CA 0.870 59.989 59.018 0.169 0.000 1.742 374 C CB -0.878 27.044 27.740 0.303 0.000 2.017 374 C HN 0.300 nan 8.230 nan 0.000 0.481 375 V N 0.788 120.785 119.914 0.140 0.000 2.358 375 V HA -0.183 3.990 4.120 0.089 0.000 0.246 375 V C 2.458 178.573 176.094 0.034 0.000 1.047 375 V CA 2.367 64.704 62.300 0.062 0.000 1.035 375 V CB -0.816 31.046 31.823 0.064 0.000 0.658 375 V HN 0.561 nan 8.190 nan 0.000 0.452 376 S N -0.211 115.540 115.700 0.085 0.000 2.359 376 S HA -0.223 4.300 4.470 0.089 0.000 0.224 376 S C 2.093 176.831 174.600 0.230 0.000 1.035 376 S CA 1.630 59.917 58.200 0.146 0.000 1.018 376 S CB -0.348 63.012 63.200 0.267 0.000 0.876 376 S HN 0.523 nan 8.310 nan 0.000 0.448 377 R N 0.890 121.506 120.500 0.193 0.000 2.091 377 R HA -0.061 4.332 4.340 0.089 0.000 0.238 377 R C 2.768 179.142 176.300 0.125 0.000 1.136 377 R CA 1.437 57.644 56.100 0.178 0.000 0.959 377 R CB -0.579 29.794 30.300 0.121 0.000 0.856 377 R HN 0.371 nan 8.270 nan 0.000 0.437 378 S N 0.359 116.097 115.700 0.063 0.000 2.356 378 S HA -0.165 4.358 4.470 0.089 0.000 0.223 378 S C 2.058 176.677 174.600 0.031 0.000 1.032 378 S CA 1.334 59.545 58.200 0.017 0.000 1.005 378 S CB -0.157 63.023 63.200 -0.033 0.000 0.867 378 S HN 0.439 nan 8.310 nan 0.000 0.449 379 A N 0.362 123.179 122.820 -0.006 0.000 1.877 379 A HA 0.078 4.451 4.320 0.089 0.000 0.216 379 A C 1.934 179.507 177.584 -0.018 0.000 1.186 379 A CA 1.482 53.493 52.037 -0.043 0.000 0.620 379 A CB -1.115 17.702 19.000 -0.305 0.000 0.822 379 A HN 0.647 nan 8.150 nan 0.000 0.443 380 F N -0.030 119.988 119.950 0.112 0.000 2.407 380 F HA 0.017 4.598 4.527 0.089 0.000 0.299 380 F C 2.630 178.462 175.800 0.052 0.000 1.097 380 F CA 0.553 58.606 58.000 0.089 0.000 1.422 380 F CB -0.022 39.014 39.000 0.060 0.000 1.067 380 F HN 0.269 nan 8.300 nan 0.000 0.539 381 A N -0.477 122.449 122.820 0.176 0.000 2.067 381 A HA -0.147 4.227 4.320 0.089 0.000 0.219 381 A C 1.935 179.509 177.584 -0.018 0.000 1.158 381 A CA 1.331 53.411 52.037 0.072 0.000 0.661 381 A CB -0.314 18.711 19.000 0.041 0.000 0.801 381 A HN 0.470 nan 8.150 nan 0.000 0.452 382 Q N -2.586 117.172 119.800 -0.070 0.000 2.245 382 Q HA 0.339 4.732 4.340 0.089 0.000 0.236 382 Q C -0.996 174.592 176.000 -0.686 0.000 0.842 382 Q CA -0.058 55.527 55.803 -0.363 0.000 0.945 382 Q CB 0.882 29.353 28.738 -0.444 0.000 1.122 382 Q HN 0.592 nan 8.270 nan 0.000 0.506 383 F N 0.490 120.438 119.950 -0.003 0.000 2.613 383 F HA 0.395 4.976 4.527 0.089 0.000 0.314 383 F C -0.071 175.765 175.800 0.060 0.000 1.075 383 F CA -1.219 56.781 58.000 -0.000 0.000 0.945 383 F CB 1.401 40.370 39.000 -0.052 0.000 1.310 383 F HN -0.385 nan 8.300 nan 0.000 0.467 384 K N 1.037 121.589 120.400 0.253 0.000 2.319 384 K HA 0.074 4.447 4.320 0.089 0.000 0.265 384 K C 1.032 177.780 176.600 0.247 0.000 1.000 384 K CA -0.281 56.127 56.287 0.201 0.000 0.943 384 K CB 0.824 33.407 32.500 0.139 0.000 0.950 384 K HN 0.612 nan 8.250 nan 0.000 0.485 385 K N 1.761 122.321 120.400 0.267 0.000 2.074 385 K HA -0.227 4.146 4.320 0.089 0.000 0.209 385 K C 1.158 177.901 176.600 0.238 0.000 1.048 385 K CA 2.337 58.831 56.287 0.344 0.000 0.926 385 K CB -0.026 32.583 32.500 0.183 0.000 0.713 385 K HN 0.690 nan 8.250 nan 0.000 0.444 386 D N -0.373 120.113 120.400 0.144 0.000 2.371 386 D HA -0.136 4.557 4.640 0.089 0.000 0.221 386 D C 1.124 177.461 176.300 0.062 0.000 0.986 386 D CA 0.783 54.838 54.000 0.092 0.000 0.899 386 D CB 0.037 40.877 40.800 0.066 0.000 0.902 386 D HN 0.207 nan 8.370 nan 0.000 0.530 387 Q N 0.003 119.843 119.800 0.065 0.000 2.319 387 Q HA 0.206 4.599 4.340 0.089 0.000 0.202 387 Q C -0.239 175.705 176.000 -0.095 0.000 0.896 387 Q CA 0.072 55.872 55.803 -0.006 0.000 0.942 387 Q CB 1.749 30.502 28.738 0.025 0.000 1.083 387 Q HN 0.223 nan 8.270 nan 0.000 0.510 388 V N 0.778 120.657 119.914 -0.058 0.000 2.735 388 V HA 0.543 4.716 4.120 0.089 0.000 0.310 388 V C -0.264 175.802 176.094 -0.047 0.000 1.061 388 V CA -0.902 61.305 62.300 -0.155 0.000 0.913 388 V CB 2.767 34.349 31.823 -0.402 0.000 1.005 388 V HN 0.025 nan 8.190 nan 0.000 0.428 389 R N 2.427 122.889 120.500 -0.063 0.000 2.604 389 R HA 0.428 4.821 4.340 0.089 0.000 0.281 389 R C -1.082 175.215 176.300 -0.005 0.000 1.020 389 R CA -0.633 55.466 56.100 -0.003 0.000 0.899 389 R CB 2.288 32.581 30.300 -0.011 0.000 1.205 389 R HN 0.847 nan 8.270 nan 0.000 0.450 390 Q N 2.887 122.709 119.800 0.037 0.000 2.327 390 Q HA 0.377 4.770 4.340 0.089 0.000 0.254 390 Q C -0.440 175.576 176.000 0.026 0.000 0.952 390 Q CA 0.179 56.005 55.803 0.038 0.000 0.884 390 Q CB 1.434 30.218 28.738 0.076 0.000 1.224 390 Q HN 0.493 nan 8.270 nan 0.000 0.422 391 I N 2.079 122.658 120.570 0.013 0.000 2.841 391 I HA 0.387 4.610 4.170 0.089 0.000 0.298 391 I C -1.602 174.537 176.117 0.036 0.000 1.304 391 I CA -0.789 60.496 61.300 -0.025 0.000 1.019 391 I CB 1.446 39.434 38.000 -0.021 0.000 1.282 391 I HN 0.737 nan 8.210 nan 0.000 0.432 392 W N 4.474 125.790 121.300 0.026 0.000 2.578 392 W HA 0.625 5.337 4.660 0.087 0.000 0.346 392 W C -0.794 175.793 176.519 0.115 0.000 1.075 392 W CA -1.057 56.297 57.345 0.015 0.000 1.233 392 W CB 0.999 30.451 29.460 -0.012 0.000 1.358 392 W HN 0.492 nan 8.180 nan 0.000 0.574 393 S N 0.800 116.765 115.700 0.443 0.000 2.523 393 S HA 0.371 4.894 4.470 0.089 0.000 0.275 393 S C 1.091 175.993 174.600 0.503 0.000 1.281 393 S CA 0.262 58.765 58.200 0.505 0.000 1.050 393 S CB 0.868 64.411 63.200 0.570 0.000 0.937 393 S HN 0.682 nan 8.310 nan 0.000 0.492 394 G N 3.245 112.226 108.800 0.301 0.000 2.551 394 G HA2 0.363 4.376 3.960 0.089 0.000 0.216 394 G HA3 0.363 4.376 3.960 0.089 0.000 0.216 394 G C 0.414 175.382 174.900 0.112 0.000 1.137 394 G CA 0.429 45.683 45.100 0.257 0.000 0.798 394 G HN 0.962 nan 8.290 nan 0.000 0.536 395 A N -0.050 122.800 122.820 0.051 0.000 2.312 395 A HA 0.727 5.100 4.320 0.089 0.000 0.328 395 A C 0.652 178.078 177.584 -0.265 0.000 1.158 395 A CA 0.074 51.998 52.037 -0.189 0.000 0.821 395 A CB 0.925 19.746 19.000 -0.298 0.000 1.170 395 A HN 0.476 nan 8.150 nan 0.000 0.490 396 G N 0.743 109.348 108.800 -0.324 0.000 2.467 396 G HA2 0.524 4.537 3.960 0.089 0.000 0.257 396 G HA3 0.524 4.537 3.960 0.089 0.000 0.257 396 G C -0.331 174.316 174.900 -0.422 0.000 1.227 396 G CA -0.120 44.920 45.100 -0.100 0.000 0.835 396 G HN 0.762 nan 8.290 nan 0.000 0.556 397 H N 0.214 119.349 119.070 0.109 0.000 2.946 397 H HA 0.203 4.813 4.556 0.090 0.000 0.365 397 H C 0.119 175.472 175.328 0.042 0.000 1.197 397 H CA -0.713 55.395 56.048 0.099 0.000 1.131 397 H CB 2.322 32.176 29.762 0.155 0.000 1.849 397 H HN 0.472 nan 8.280 nan 0.000 0.555 398 D N 0.466 120.945 120.400 0.131 0.000 2.221 398 D HA -0.104 4.589 4.640 0.089 0.000 0.204 398 D C 1.454 177.640 176.300 -0.190 0.000 0.982 398 D CA 1.066 54.942 54.000 -0.207 0.000 0.857 398 D CB 0.152 40.660 40.800 -0.486 0.000 0.934 398 D HN 0.303 nan 8.370 nan 0.000 0.475 399 S N 0.150 115.933 115.700 0.138 0.000 2.419 399 S HA -0.154 4.369 4.470 0.089 0.000 0.235 399 S C 2.206 176.966 174.600 0.267 0.000 1.019 399 S CA 0.463 58.806 58.200 0.238 0.000 0.982 399 S CB -0.230 63.118 63.200 0.246 0.000 0.789 399 S HN 0.412 nan 8.310 nan 0.000 0.490 400 C N 1.394 120.815 119.300 0.200 0.000 2.422 400 C HA -0.041 4.472 4.460 0.089 0.000 0.279 400 C C 2.690 177.668 174.990 -0.021 0.000 1.305 400 C CA 0.447 59.513 59.018 0.080 0.000 1.757 400 C CB -0.997 26.754 27.740 0.018 0.000 1.962 400 C HN 0.559 nan 8.230 nan 0.000 0.499 401 Q N 0.158 119.911 119.800 -0.079 0.000 2.302 401 Q HA -0.041 4.352 4.340 0.089 0.000 0.202 401 Q C 2.292 178.283 176.000 -0.015 0.000 0.936 401 Q CA 1.781 57.527 55.803 -0.094 0.000 0.886 401 Q CB -0.802 27.847 28.738 -0.149 0.000 0.986 401 Q HN 0.875 nan 8.270 nan 0.000 0.487 402 T N -1.839 112.677 114.554 -0.063 0.000 2.978 402 T HA 0.156 4.559 4.350 0.089 0.000 0.262 402 T C 2.014 176.772 174.700 0.097 0.000 1.063 402 T CA 0.821 62.972 62.100 0.086 0.000 1.140 402 T CB -0.121 68.647 68.868 -0.167 0.000 0.886 402 T HN 0.148 nan 8.240 nan 0.000 0.470 403 A N 3.118 125.977 122.820 0.066 0.000 1.948 403 A HA 0.021 4.395 4.320 0.089 0.000 0.220 403 A C 0.411 177.972 177.584 -0.039 0.000 1.177 403 A CA 1.420 53.508 52.037 0.086 0.000 0.636 403 A CB -1.729 17.382 19.000 0.186 0.000 0.815 403 A HN 0.513 nan 8.150 nan 0.000 0.449 404 P HA -0.097 nan 4.420 nan 0.000 0.222 404 P C 0.831 177.852 177.300 -0.465 0.000 1.147 404 P CA 1.247 64.103 63.100 -0.406 0.000 0.790 404 P CB -0.048 31.252 31.700 -0.668 0.000 0.780 405 H N -2.024 116.981 119.070 -0.108 0.000 2.594 405 H HA 0.234 4.843 4.556 0.088 0.000 0.274 405 H C 0.917 176.255 175.328 0.017 0.000 0.982 405 H CA 0.526 56.480 56.048 -0.157 0.000 1.228 405 H CB 0.244 29.738 29.762 -0.445 0.000 1.447 405 H HN -0.010 nan 8.280 nan 0.000 0.485 406 V N -1.055 118.970 119.914 0.186 0.000 2.962 406 V HA 0.549 4.722 4.120 0.089 0.000 0.313 406 V C -2.936 173.179 176.094 0.035 0.000 1.099 406 V CA -2.880 59.502 62.300 0.138 0.000 0.971 406 V CB 2.764 34.717 31.823 0.216 0.000 1.028 406 V HN -0.187 nan 8.190 nan 0.000 0.430 407 P HA 0.331 nan 4.420 nan 0.000 0.263 407 P C -0.447 176.694 177.300 -0.265 0.000 1.195 407 P CA 0.734 63.660 63.100 -0.289 0.000 0.762 407 P CB 0.331 31.682 31.700 -0.581 0.000 0.799 408 T N 1.594 116.048 114.554 -0.166 0.000 2.933 408 T HA 0.641 5.044 4.350 0.089 0.000 0.305 408 T C -0.654 173.769 174.700 -0.463 0.000 1.092 408 T CA -0.584 61.341 62.100 -0.291 0.000 1.008 408 T CB 1.505 70.354 68.868 -0.032 0.000 1.102 408 T HN 0.449 nan 8.240 nan 0.000 0.469 409 S N 2.342 117.568 115.700 -0.790 0.000 2.672 409 S HA 0.853 5.376 4.470 0.089 0.000 0.271 409 S C -1.634 172.466 174.600 -0.834 0.000 1.171 409 S CA -0.968 56.617 58.200 -1.024 0.000 0.817 409 S CB 1.370 64.308 63.200 -0.436 0.000 1.150 409 S HN 0.616 nan 8.310 nan 0.000 0.478 410 M N 0.818 119.998 119.600 -0.700 0.000 2.658 410 M HA 0.597 5.130 4.480 0.089 0.000 0.295 410 M C -1.483 174.658 176.300 -0.265 0.000 1.248 410 M CA -0.637 54.410 55.300 -0.421 0.000 0.843 410 M CB 2.189 34.513 32.600 -0.459 0.000 1.749 410 M HN 0.651 nan 8.290 nan 0.000 0.464 411 I N 0.863 121.344 120.570 -0.148 0.000 2.465 411 I HA 0.476 4.700 4.170 0.089 0.000 0.291 411 I C -1.305 174.874 176.117 0.104 0.000 1.014 411 I CA -0.285 60.972 61.300 -0.072 0.000 1.093 411 I CB 1.683 39.665 38.000 -0.030 0.000 1.267 411 I HN 0.517 nan 8.210 nan 0.000 0.431 412 F N 5.900 125.814 119.950 -0.061 0.000 2.450 412 F HA 0.629 5.209 4.527 0.089 0.000 0.332 412 F C 0.273 176.018 175.800 -0.091 0.000 1.093 412 F CA -1.114 56.855 58.000 -0.051 0.000 1.003 412 F CB 2.004 40.975 39.000 -0.048 0.000 1.151 412 F HN 0.330 nan 8.300 nan 0.000 0.474 413 I N 0.708 121.322 120.570 0.073 0.000 2.797 413 I HA 0.624 4.848 4.170 0.089 0.000 0.307 413 I C -2.892 173.155 176.117 -0.118 0.000 1.033 413 I CA -3.021 58.242 61.300 -0.061 0.000 1.071 413 I CB 1.632 39.572 38.000 -0.100 0.000 1.255 413 I HN 0.196 nan 8.210 nan 0.000 0.445 414 P HA 0.146 nan 4.420 nan 0.000 0.269 414 P C -0.983 176.211 177.300 -0.176 0.000 1.215 414 P CA -0.104 62.911 63.100 -0.142 0.000 0.780 414 P CB 0.680 32.307 31.700 -0.121 0.000 0.898 415 S N 1.169 116.776 115.700 -0.155 0.000 2.478 415 S HA 0.259 4.782 4.470 0.089 0.000 0.312 415 S C -0.303 174.252 174.600 -0.075 0.000 1.094 415 S CA -0.825 57.291 58.200 -0.140 0.000 1.081 415 S CB 0.716 63.836 63.200 -0.134 0.000 1.007 415 S HN 0.312 nan 8.310 nan 0.000 0.475 416 K N 2.250 122.636 120.400 -0.022 0.000 2.472 416 K HA -0.037 4.336 4.320 0.089 0.000 0.280 416 K C -0.358 176.253 176.600 0.018 0.000 1.028 416 K CA 0.450 56.764 56.287 0.045 0.000 1.045 416 K CB 0.072 32.685 32.500 0.188 0.000 0.902 416 K HN 0.608 nan 8.250 nan 0.000 0.478 417 D N 2.942 123.338 120.400 -0.006 0.000 3.070 417 D HA -0.205 4.488 4.640 0.089 0.000 0.220 417 D C 0.629 176.905 176.300 -0.039 0.000 1.176 417 D CA 1.562 55.546 54.000 -0.025 0.000 0.924 417 D CB -1.359 39.424 40.800 -0.028 0.000 1.124 417 D HN 1.038 nan 8.370 nan 0.000 0.411 418 G N -0.482 108.289 108.800 -0.048 0.000 2.203 418 G HA2 -0.294 3.719 3.960 0.089 0.000 0.263 418 G HA3 -0.294 3.719 3.960 0.089 0.000 0.263 418 G C 0.057 174.921 174.900 -0.060 0.000 1.012 418 G CA 0.539 45.598 45.100 -0.069 0.000 0.749 418 G HN 0.502 nan 8.290 nan 0.000 0.512 419 L N 0.975 122.180 121.223 -0.030 0.000 2.292 419 L HA 0.838 5.231 4.340 0.089 0.000 0.284 419 L C 0.239 177.119 176.870 0.017 0.000 1.065 419 L CA 0.296 55.132 54.840 -0.007 0.000 0.806 419 L CB 1.735 43.805 42.059 0.018 0.000 1.175 419 L HN 0.336 nan 8.230 nan 0.000 0.431 420 S N 2.854 118.559 115.700 0.010 0.000 2.625 420 S HA 0.462 4.986 4.470 0.089 0.000 0.271 420 S C -0.702 173.964 174.600 0.110 0.000 1.161 420 S CA -0.446 57.786 58.200 0.053 0.000 0.820 420 S CB 0.538 63.726 63.200 -0.020 0.000 1.137 420 S HN 0.843 nan 8.310 nan 0.000 0.470 421 H N 0.499 119.594 119.070 0.041 0.000 2.756 421 H HA -0.140 4.469 4.556 0.088 0.000 0.315 421 H C -0.363 174.947 175.328 -0.029 0.000 1.210 421 H CA 0.894 56.947 56.048 0.008 0.000 1.150 421 H CB -1.146 28.605 29.762 -0.018 0.000 1.463 421 H HN 0.482 nan 8.280 nan 0.000 0.427 422 N N -0.574 118.189 118.700 0.106 0.000 2.555 422 N HA -0.002 4.791 4.740 0.089 0.000 0.265 422 N C 0.488 176.070 175.510 0.119 0.000 1.135 422 N CA -0.549 52.517 53.050 0.025 0.000 0.925 422 N CB 0.858 39.382 38.487 0.062 0.000 1.662 422 N HN 0.121 nan 8.380 nan 0.000 0.489 423 Y N 1.065 121.398 120.300 0.054 0.000 2.181 423 Y HA -0.240 4.365 4.550 0.093 0.000 0.284 423 Y C 0.912 176.787 175.900 -0.041 0.000 1.179 423 Y CA 1.289 59.379 58.100 -0.017 0.000 1.179 423 Y CB 0.023 38.383 38.460 -0.168 0.000 0.973 423 Y HN 0.563 nan 8.280 nan 0.000 0.519 424 Y N 0.378 120.727 120.300 0.082 0.000 2.490 424 Y HA 0.008 4.610 4.550 0.086 0.000 0.281 424 Y C 0.966 176.972 175.900 0.177 0.000 1.174 424 Y CA -0.274 57.808 58.100 -0.030 0.000 1.295 424 Y CB -0.315 37.980 38.460 -0.275 0.000 1.062 424 Y HN 0.049 nan 8.280 nan 0.000 0.522 425 E N 0.939 121.334 120.200 0.324 0.000 2.608 425 E HA -0.144 4.260 4.350 0.089 0.000 0.259 425 E C -1.349 175.507 176.600 0.426 0.000 0.951 425 E CA 0.387 56.968 56.400 0.302 0.000 0.945 425 E CB 0.254 30.121 29.700 0.277 0.000 0.916 425 E HN 0.324 nan 8.360 nan 0.000 0.477 426 Y N 2.358 122.688 120.300 0.051 0.000 2.442 426 Y HA 0.309 4.911 4.550 0.088 0.000 0.330 426 Y C -1.494 174.165 175.900 -0.401 0.000 1.100 426 Y CA -0.566 57.453 58.100 -0.135 0.000 1.034 426 Y CB 1.852 40.339 38.460 0.046 0.000 1.285 426 Y HN 0.431 nan 8.280 nan 0.000 0.440 427 S N 3.085 117.911 115.700 -1.457 0.000 2.536 427 S HA 0.540 5.063 4.470 0.089 0.000 0.287 427 S C -0.928 172.836 174.600 -1.393 0.000 1.101 427 S CA -0.878 56.629 58.200 -1.156 0.000 0.950 427 S CB 1.475 64.184 63.200 -0.818 0.000 1.056 427 S HN 0.768 nan 8.310 nan 0.000 0.481 428 S N 2.274 117.451 115.700 -0.871 0.000 2.593 428 S HA 0.296 4.819 4.470 0.089 0.000 0.269 428 S C -2.082 172.331 174.600 -0.312 0.000 1.334 428 S CA -0.870 57.016 58.200 -0.525 0.000 1.015 428 S CB 0.159 63.267 63.200 -0.153 0.000 0.912 428 S HN 0.350 nan 8.310 nan 0.000 0.541 429 P HA -0.117 nan 4.420 nan 0.000 0.216 429 P C 1.095 178.363 177.300 -0.055 0.000 1.153 429 P CA 1.342 64.394 63.100 -0.081 0.000 0.858 429 P CB 0.001 31.685 31.700 -0.027 0.000 0.789 430 E N -0.175 120.000 120.200 -0.042 0.000 2.051 430 E HA -0.194 4.209 4.350 0.089 0.000 0.192 430 E C 1.993 178.583 176.600 -0.017 0.000 0.991 430 E CA 1.317 57.712 56.400 -0.008 0.000 0.799 430 E CB -0.771 28.932 29.700 0.005 0.000 0.748 430 E HN 0.395 nan 8.360 nan 0.000 0.449 431 E N 0.072 120.225 120.200 -0.078 0.000 2.110 431 E HA -0.171 4.232 4.350 0.089 0.000 0.193 431 E C 2.096 178.644 176.600 -0.087 0.000 0.988 431 E CA 0.933 57.270 56.400 -0.106 0.000 0.804 431 E CB -0.154 29.440 29.700 -0.177 0.000 0.745 431 E HN 0.266 nan 8.360 nan 0.000 0.458 432 I N 0.770 121.280 120.570 -0.101 0.000 2.179 432 I HA -0.273 3.950 4.170 0.089 0.000 0.242 432 I C 2.560 178.700 176.117 0.040 0.000 1.088 432 I CA 1.247 62.516 61.300 -0.051 0.000 1.357 432 I CB -0.159 37.803 38.000 -0.064 0.000 1.051 432 I HN 0.102 nan 8.210 nan 0.000 0.409 433 E N 1.076 121.307 120.200 0.052 0.000 2.110 433 E HA -0.227 4.176 4.350 0.089 0.000 0.193 433 E C 1.951 178.666 176.600 0.192 0.000 0.988 433 E CA 1.306 57.788 56.400 0.136 0.000 0.804 433 E CB 0.095 29.853 29.700 0.096 0.000 0.745 433 E HN 0.366 nan 8.360 nan 0.000 0.458 434 N N -0.047 118.746 118.700 0.155 0.000 2.069 434 N HA -0.136 4.657 4.740 0.089 0.000 0.191 434 N C 1.768 177.368 175.510 0.150 0.000 1.031 434 N CA 1.423 54.619 53.050 0.242 0.000 0.852 434 N CB -0.866 37.696 38.487 0.125 0.000 1.018 434 N HN 0.306 nan 8.380 nan 0.000 0.423 435 G N 0.101 108.937 108.800 0.060 0.000 2.418 435 G HA2 -0.243 3.771 3.960 0.089 0.000 0.217 435 G HA3 -0.243 3.771 3.960 0.089 0.000 0.217 435 G C 1.426 176.369 174.900 0.072 0.000 1.158 435 G CA 0.405 45.525 45.100 0.034 0.000 0.771 435 G HN 0.322 nan 8.290 nan 0.000 0.545 436 F N 1.758 121.698 119.950 -0.018 0.000 2.126 436 F HA 0.002 4.582 4.527 0.088 0.000 0.299 436 F C 2.603 178.382 175.800 -0.034 0.000 1.096 436 F CA 1.787 59.766 58.000 -0.035 0.000 1.255 436 F CB -0.176 38.801 39.000 -0.038 0.000 0.997 436 F HN 0.032 nan 8.300 nan 0.000 0.479 437 K N 0.005 120.284 120.400 -0.202 0.000 2.063 437 K HA -0.153 4.220 4.320 0.089 0.000 0.208 437 K C 2.052 178.522 176.600 -0.216 0.000 1.048 437 K CA 1.756 57.883 56.287 -0.268 0.000 0.928 437 K CB -0.620 31.858 32.500 -0.037 0.000 0.713 437 K HN 0.241 nan 8.250 nan 0.000 0.442 438 V N 1.591 121.460 119.914 -0.075 0.000 2.307 438 V HA -0.224 3.949 4.120 0.089 0.000 0.245 438 V C 2.211 178.208 176.094 -0.160 0.000 1.045 438 V CA 1.331 63.595 62.300 -0.060 0.000 1.024 438 V CB -0.400 31.420 31.823 -0.005 0.000 0.651 438 V HN 0.248 nan 8.190 nan 0.000 0.449 439 L N -0.056 121.053 121.223 -0.191 0.000 2.012 439 L HA -0.167 4.226 4.340 0.089 0.000 0.210 439 L C 2.251 178.921 176.870 -0.334 0.000 1.073 439 L CA 2.026 56.727 54.840 -0.232 0.000 0.748 439 L CB -0.713 41.258 42.059 -0.148 0.000 0.891 439 L HN 0.293 nan 8.230 nan 0.000 0.431 440 L N -0.453 120.490 121.223 -0.465 0.000 1.990 440 L HA -0.263 4.131 4.340 0.089 0.000 0.213 440 L C 2.553 179.249 176.870 -0.290 0.000 1.072 440 L CA 2.321 56.874 54.840 -0.478 0.000 0.755 440 L CB -0.909 40.704 42.059 -0.743 0.000 0.889 440 L HN 0.520 nan 8.230 nan 0.000 0.432 441 Q N -0.626 119.023 119.800 -0.251 0.000 2.172 441 Q HA -0.011 4.383 4.340 0.089 0.000 0.200 441 Q C 2.074 177.987 176.000 -0.145 0.000 0.964 441 Q CA 1.580 57.289 55.803 -0.156 0.000 0.855 441 Q CB -0.330 28.337 28.738 -0.118 0.000 0.918 441 Q HN 0.613 nan 8.270 nan 0.000 0.444 442 A N 0.261 122.945 122.820 -0.226 0.000 1.877 442 A HA -0.149 4.224 4.320 0.089 0.000 0.216 442 A C 2.079 179.367 177.584 -0.493 0.000 1.186 442 A CA 1.507 53.347 52.037 -0.328 0.000 0.620 442 A CB -0.718 18.026 19.000 -0.427 0.000 0.822 442 A HN 0.460 nan 8.150 nan 0.000 0.443 443 I N -0.317 119.948 120.570 -0.507 0.000 2.226 443 I HA -0.258 3.966 4.170 0.089 0.000 0.245 443 I C 2.300 178.431 176.117 0.022 0.000 1.100 443 I CA 1.271 62.386 61.300 -0.308 0.000 1.374 443 I CB -0.331 37.572 38.000 -0.161 0.000 1.057 443 I HN 0.311 nan 8.210 nan 0.000 0.413 444 I N 0.858 121.447 120.570 0.031 0.000 2.208 444 I HA -0.311 3.913 4.170 0.089 0.000 0.245 444 I C 2.214 178.400 176.117 0.115 0.000 1.097 444 I CA 1.320 62.683 61.300 0.105 0.000 1.363 444 I CB -0.574 37.448 38.000 0.036 0.000 1.051 444 I HN 0.323 nan 8.210 nan 0.000 0.413 445 N N 0.367 119.112 118.700 0.074 0.000 2.104 445 N HA -0.249 4.544 4.740 0.089 0.000 0.190 445 N C 1.805 177.444 175.510 0.215 0.000 1.024 445 N CA 1.471 54.594 53.050 0.121 0.000 0.853 445 N CB -0.617 37.924 38.487 0.090 0.000 1.008 445 N HN 0.384 nan 8.380 nan 0.000 0.424 446 Y N 1.540 121.914 120.300 0.123 0.000 2.200 446 Y HA -0.167 4.436 4.550 0.089 0.000 0.290 446 Y C 2.174 178.242 175.900 0.280 0.000 1.137 446 Y CA 1.638 59.895 58.100 0.261 0.000 1.163 446 Y CB -0.528 38.149 38.460 0.361 0.000 0.988 446 Y HN 0.037 nan 8.280 nan 0.000 0.518 447 D N -0.424 120.114 120.400 0.229 0.000 2.123 447 D HA -0.214 4.479 4.640 0.089 0.000 0.196 447 D C 1.703 178.077 176.300 0.123 0.000 0.992 447 D CA 1.777 55.885 54.000 0.181 0.000 0.833 447 D CB -0.227 40.725 40.800 0.254 0.000 0.954 447 D HN 0.288 nan 8.370 nan 0.000 0.455 448 N N -0.790 117.990 118.700 0.133 0.000 2.142 448 N HA -0.192 4.601 4.740 0.089 0.000 0.186 448 N C 1.611 177.176 175.510 0.092 0.000 1.023 448 N CA 0.856 53.974 53.050 0.114 0.000 0.852 448 N CB -0.669 37.894 38.487 0.127 0.000 0.998 448 N HN 0.446 nan 8.380 nan 0.000 0.424 449 Y N 2.097 122.378 120.300 -0.032 0.000 2.181 449 Y HA -0.132 4.471 4.550 0.089 0.000 0.288 449 Y C 2.280 178.098 175.900 -0.137 0.000 1.146 449 Y CA 1.469 59.528 58.100 -0.068 0.000 1.164 449 Y CB -0.009 38.409 38.460 -0.071 0.000 0.982 449 Y HN -0.061 nan 8.280 nan 0.000 0.515 450 R N -0.344 119.892 120.500 -0.439 0.000 2.105 450 R HA -0.177 4.217 4.340 0.089 0.000 0.239 450 R C 2.131 178.246 176.300 -0.309 0.000 1.135 450 R CA 1.646 57.421 56.100 -0.542 0.000 0.967 450 R CB -0.715 29.267 30.300 -0.530 0.000 0.861 450 R HN 0.302 nan 8.270 nan 0.000 0.442 451 V N 1.546 121.419 119.914 -0.069 0.000 2.255 451 V HA -0.269 3.904 4.120 0.089 0.000 0.247 451 V C 2.280 178.217 176.094 -0.262 0.000 1.051 451 V CA 1.977 64.231 62.300 -0.077 0.000 1.018 451 V CB -0.404 31.411 31.823 -0.013 0.000 0.641 451 V HN 0.272 nan 8.190 nan 0.000 0.445 452 I N -0.470 120.016 120.570 -0.140 0.000 2.252 452 I HA -0.217 4.006 4.170 0.089 0.000 0.245 452 I C 2.725 178.754 176.117 -0.146 0.000 1.102 452 I CA 1.665 62.938 61.300 -0.045 0.000 1.385 452 I CB -0.562 37.450 38.000 0.020 0.000 1.064 452 I HN 0.211 nan 8.210 nan 0.000 0.414 453 R N 1.484 121.788 120.500 -0.327 0.000 2.103 453 R HA -0.173 4.220 4.340 0.089 0.000 0.242 453 R C 2.345 178.592 176.300 -0.087 0.000 1.142 453 R CA 1.907 57.864 56.100 -0.238 0.000 0.960 453 R CB -0.605 29.366 30.300 -0.547 0.000 0.858 453 R HN 0.431 nan 8.270 nan 0.000 0.439 454 G N -0.098 108.593 108.800 -0.182 0.000 2.422 454 G HA2 -0.254 3.759 3.960 0.089 0.000 0.218 454 G HA3 -0.254 3.759 3.960 0.089 0.000 0.218 454 G C 1.076 175.929 174.900 -0.079 0.000 1.146 454 G CA 0.805 45.836 45.100 -0.116 0.000 0.769 454 G HN 0.388 nan 8.290 nan 0.000 0.547 455 H N -0.250 118.788 119.070 -0.053 0.000 2.357 455 H HA -0.032 4.577 4.556 0.089 0.000 0.301 455 H C 2.511 177.746 175.328 -0.155 0.000 1.082 455 H CA 1.597 57.599 56.048 -0.077 0.000 1.342 455 H CB -0.247 29.469 29.762 -0.076 0.000 1.389 455 H HN 0.517 nan 8.280 nan 0.000 0.511 456 Q N -0.064 119.637 119.800 -0.164 0.000 2.083 456 Q HA -0.048 4.345 4.340 0.089 0.000 0.198 456 Q C -0.375 175.227 176.000 -0.662 0.000 0.969 456 Q CA 0.870 56.359 55.803 -0.524 0.000 0.838 456 Q CB 0.301 28.513 28.738 -0.876 0.000 0.900 456 Q HN 0.179 nan 8.270 nan 0.000 0.436 457 F N 1.443 121.397 119.950 0.006 0.000 2.451 457 F HA 0.462 5.043 4.527 0.089 0.000 0.367 457 F C -2.121 173.678 175.800 -0.003 0.000 1.100 457 F CA -2.610 55.391 58.000 0.002 0.000 1.171 457 F CB 0.819 39.816 39.000 -0.006 0.000 1.405 457 F HN 0.035 nan 8.300 nan 0.000 0.482 458 P HA 0.000 nan 4.420 nan 0.000 0.216 458 P CA 0.000 63.152 63.100 0.087 0.000 0.800 458 P CB 0.000 31.738 31.700 0.064 0.000 0.726