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 2b3b_1_B DATA FIRST_RESID 1 DATA SEQUENCE MKLEIFSWWA GDEGPALEAL IRLYKQKYPG VEVINATVTG GAGVNARAVL DATA SEQUENCE KTRMLGGDPP DTFQVHAGME LIGTWVVANR MEDLSALFRQ EGWLQAFPKG DATA SEQUENCE LIDLISYKGG IWSVPVNIHR SNVMWYLPAK LKGWGVNPPR TWDKFLATCQ DATA SEQUENCE TLKQKGLEAP LALGENWTQQ HLWESVALAV LGPDDWNNLW NGKLKFTDPK DATA SEQUENCE AVRAWEVFGR VLDCANKDAA GLSWQQAVDR VVQGKAAFNI MGDWAAGYMT DATA SEQUENCE TTLKLKPGTD FAWAPSPGTQ GVFMMLSDSF GLPKGAKNRQ NAINWLRLVG DATA SEQUENCE SKEGQDTSNP LKGSIAARLD SDPSKYNAYG QSAMRDWRSN RIVGSLVHGA DATA SEQUENCE VAPESFMSQF GTVMEIFLQT RNPQAAANAA QAIADQVGLG R VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.322 176.300 0.037 0.000 1.140 1 M CA 0.000 55.322 55.300 0.037 0.000 0.988 1 M CB 0.000 32.632 32.600 0.054 0.000 1.302 2 K N 1.456 121.871 120.400 0.025 0.000 2.480 2 K HA 0.911 5.231 4.320 -0.000 0.000 0.258 2 K C -1.668 174.923 176.600 -0.016 0.000 0.990 2 K CA -1.077 55.215 56.287 0.008 0.000 0.857 2 K CB 3.366 35.862 32.500 -0.007 0.000 1.384 2 K HN 0.546 nan 8.250 nan 0.000 0.446 3 L N 0.865 122.048 121.223 -0.067 0.000 2.516 3 L HA 0.311 4.651 4.340 -0.000 0.000 0.267 3 L C -1.411 175.338 176.870 -0.202 0.000 0.957 3 L CA -0.128 54.615 54.840 -0.161 0.000 0.860 3 L CB 2.042 43.931 42.059 -0.283 0.000 1.265 3 L HN 0.680 nan 8.230 nan 0.000 0.403 4 E N 5.440 125.535 120.200 -0.174 0.000 2.092 4 E HA 0.480 4.830 4.350 -0.000 0.000 0.271 4 E C -1.228 175.257 176.600 -0.191 0.000 0.919 4 E CA -0.512 55.801 56.400 -0.144 0.000 0.760 4 E CB 0.919 30.586 29.700 -0.055 0.000 1.106 4 E HN 0.660 nan 8.360 nan 0.000 0.408 5 I N 5.100 125.512 120.570 -0.262 0.000 2.336 5 I HA 0.288 4.458 4.170 -0.000 0.000 0.292 5 I C -0.565 175.542 176.117 -0.017 0.000 0.991 5 I CA -0.774 60.355 61.300 -0.285 0.000 1.227 5 I CB 0.912 38.523 38.000 -0.648 0.000 1.366 5 I HN 0.486 nan 8.210 nan 0.000 0.466 6 F N 6.844 126.781 119.950 -0.022 0.000 2.444 6 F HA 0.652 5.179 4.527 -0.000 0.000 0.342 6 F C 0.102 175.903 175.800 0.001 0.000 1.121 6 F CA 0.020 58.026 58.000 0.010 0.000 0.997 6 F CB 1.227 40.247 39.000 0.033 0.000 1.130 6 F HN 0.575 nan 8.300 nan 0.000 0.454 7 S N 3.465 118.896 115.700 -0.449 0.000 2.672 7 S HA 0.330 4.799 4.470 -0.000 0.000 0.271 7 S C -1.088 173.223 174.600 -0.482 0.000 1.171 7 S CA -0.760 57.108 58.200 -0.553 0.000 0.817 7 S CB 0.542 63.365 63.200 -0.629 0.000 1.150 7 S HN 0.902 nan 8.310 nan 0.000 0.478 8 W N -0.596 120.328 121.300 -0.626 0.000 3.067 8 W HA 0.604 5.263 4.660 -0.000 0.000 0.417 8 W C -0.699 175.728 176.519 -0.154 0.000 1.029 8 W CA -1.160 55.956 57.345 -0.382 0.000 1.992 8 W CB 0.078 29.349 29.460 -0.314 0.000 1.122 8 W HN 0.464 nan 8.180 nan 0.000 0.681 9 W N 3.017 124.243 121.300 -0.125 0.000 1.395 9 W HA 0.599 5.259 4.660 -0.000 0.000 0.451 9 W C 0.171 176.689 176.519 -0.002 0.000 0.619 9 W CA -1.752 55.548 57.345 -0.074 0.000 2.212 9 W CB -1.146 28.257 29.460 -0.096 0.000 1.537 9 W HN 0.028 nan 8.180 nan 0.000 0.275 10 A N 0.440 123.390 122.820 0.215 0.000 2.286 10 A HA 0.764 5.084 4.320 -0.000 0.000 0.286 10 A C 1.166 178.825 177.584 0.124 0.000 1.097 10 A CA 0.564 52.679 52.037 0.130 0.000 0.821 10 A CB 0.159 19.209 19.000 0.085 0.000 1.076 10 A HN 0.768 nan 8.150 nan 0.000 0.490 11 G N 1.515 110.364 108.800 0.082 0.000 2.634 11 G HA2 -0.403 3.557 3.960 -0.000 0.000 0.309 11 G HA3 -0.403 3.557 3.960 -0.000 0.000 0.309 11 G C 0.513 175.462 174.900 0.081 0.000 1.265 11 G CA 1.562 46.700 45.100 0.064 0.000 0.998 11 G HN 1.660 nan 8.290 nan 0.000 0.551 12 D N 0.698 121.143 120.400 0.075 0.000 2.378 12 D HA 0.044 4.683 4.640 -0.000 0.000 0.222 12 D C 1.781 178.176 176.300 0.159 0.000 0.980 12 D CA 1.785 55.853 54.000 0.113 0.000 0.907 12 D CB -0.234 40.652 40.800 0.144 0.000 0.899 12 D HN 0.703 nan 8.370 nan 0.000 0.527 13 E N -0.011 120.296 120.200 0.177 0.000 2.435 13 E HA 0.055 4.405 4.350 -0.000 0.000 0.195 13 E C 2.055 178.719 176.600 0.107 0.000 1.029 13 E CA 0.484 57.006 56.400 0.204 0.000 0.865 13 E CB 0.123 30.023 29.700 0.334 0.000 0.833 13 E HN 0.544 nan 8.360 nan 0.000 0.510 14 G N 2.431 111.302 108.800 0.117 0.000 2.421 14 G HA2 -0.134 3.825 3.960 -0.000 0.000 0.217 14 G HA3 -0.134 3.825 3.960 -0.000 0.000 0.217 14 G C -0.867 174.056 174.900 0.038 0.000 1.143 14 G CA 0.084 45.242 45.100 0.096 0.000 0.784 14 G HN 0.203 nan 8.290 nan 0.000 0.541 15 P HA -0.181 nan 4.420 nan 0.000 0.216 15 P C 2.287 179.576 177.300 -0.017 0.000 1.157 15 P CA 2.203 65.310 63.100 0.012 0.000 0.880 15 P CB -0.111 31.599 31.700 0.015 0.000 0.791 16 A N -0.684 122.093 122.820 -0.072 0.000 1.851 16 A HA -0.219 4.101 4.320 -0.000 0.000 0.216 16 A C 2.198 179.733 177.584 -0.081 0.000 1.195 16 A CA 1.950 53.916 52.037 -0.119 0.000 0.622 16 A CB -1.753 17.107 19.000 -0.234 0.000 0.831 16 A HN 0.192 nan 8.150 nan 0.000 0.444 17 L N 0.103 121.275 121.223 -0.084 0.000 2.042 17 L HA -0.191 4.149 4.340 -0.000 0.000 0.210 17 L C 2.164 179.117 176.870 0.140 0.000 1.076 17 L CA 2.651 57.557 54.840 0.109 0.000 0.749 17 L CB -0.751 41.475 42.059 0.278 0.000 0.893 17 L HN 0.552 nan 8.230 nan 0.000 0.432 18 E N -0.432 119.820 120.200 0.088 0.000 2.110 18 E HA -0.201 4.149 4.350 -0.000 0.000 0.193 18 E C 2.200 178.850 176.600 0.083 0.000 0.988 18 E CA 1.174 57.623 56.400 0.082 0.000 0.804 18 E CB -0.356 29.379 29.700 0.058 0.000 0.745 18 E HN 0.677 nan 8.360 nan 0.000 0.458 19 A N 0.896 123.751 122.820 0.059 0.000 1.902 19 A HA -0.163 4.157 4.320 -0.000 0.000 0.217 19 A C 2.125 179.757 177.584 0.081 0.000 1.181 19 A CA 0.973 53.039 52.037 0.049 0.000 0.623 19 A CB -0.457 18.550 19.000 0.011 0.000 0.818 19 A HN 0.203 nan 8.150 nan 0.000 0.443 20 L N -0.105 121.183 121.223 0.108 0.000 2.056 20 L HA -0.061 4.279 4.340 -0.000 0.000 0.207 20 L C 2.247 179.301 176.870 0.307 0.000 1.078 20 L CA 1.552 56.484 54.840 0.154 0.000 0.749 20 L CB -0.452 41.692 42.059 0.141 0.000 0.901 20 L HN 0.436 nan 8.230 nan 0.000 0.433 21 I N -0.983 119.779 120.570 0.320 0.000 2.226 21 I HA -0.315 3.855 4.170 -0.000 0.000 0.245 21 I C 2.572 178.850 176.117 0.269 0.000 1.100 21 I CA 1.081 62.565 61.300 0.306 0.000 1.374 21 I CB -0.287 37.790 38.000 0.129 0.000 1.057 21 I HN 0.240 nan 8.210 nan 0.000 0.413 22 R N 0.047 120.653 120.500 0.177 0.000 2.096 22 R HA -0.197 4.143 4.340 -0.000 0.000 0.235 22 R C 2.254 178.635 176.300 0.136 0.000 1.127 22 R CA 1.265 57.444 56.100 0.132 0.000 0.968 22 R CB -0.497 29.852 30.300 0.081 0.000 0.861 22 R HN 0.246 nan 8.270 nan 0.000 0.440 23 L N 0.027 121.337 121.223 0.146 0.000 2.056 23 L HA -0.176 4.164 4.340 -0.000 0.000 0.207 23 L C 2.076 179.046 176.870 0.166 0.000 1.078 23 L CA 1.617 56.525 54.840 0.114 0.000 0.749 23 L CB -0.787 41.323 42.059 0.085 0.000 0.901 23 L HN 0.100 nan 8.230 nan 0.000 0.433 24 Y N 0.653 121.065 120.300 0.187 0.000 2.128 24 Y HA -0.312 4.238 4.550 -0.000 0.000 0.284 24 Y C 2.403 178.456 175.900 0.255 0.000 1.154 24 Y CA 2.325 60.609 58.100 0.307 0.000 1.149 24 Y CB -0.138 38.594 38.460 0.454 0.000 0.976 24 Y HN 0.198 nan 8.280 nan 0.000 0.505 25 K N -0.205 120.365 120.400 0.283 0.000 2.148 25 K HA -0.193 4.126 4.320 -0.000 0.000 0.204 25 K C 2.081 178.689 176.600 0.012 0.000 1.050 25 K CA 1.597 57.969 56.287 0.143 0.000 0.942 25 K CB -0.194 32.405 32.500 0.166 0.000 0.724 25 K HN 0.520 nan 8.250 nan 0.000 0.446 26 Q N 0.832 120.631 119.800 -0.002 0.000 2.084 26 Q HA -0.139 4.201 4.340 -0.000 0.000 0.202 26 Q C 1.762 177.663 176.000 -0.164 0.000 0.978 26 Q CA 1.432 57.199 55.803 -0.060 0.000 0.844 26 Q CB 0.016 28.729 28.738 -0.043 0.000 0.898 26 Q HN 0.246 nan 8.270 nan 0.000 0.426 27 K N -0.556 119.684 120.400 -0.268 0.000 2.228 27 K HA -0.044 4.275 4.320 -0.000 0.000 0.202 27 K C -0.194 175.844 176.600 -0.937 0.000 1.051 27 K CA 0.671 56.609 56.287 -0.582 0.000 0.960 27 K CB 0.423 32.518 32.500 -0.676 0.000 0.743 27 K HN 0.153 nan 8.250 nan 0.000 0.458 28 Y N 0.454 120.568 120.300 -0.309 0.000 2.592 28 Y HA 0.281 4.831 4.550 -0.000 0.000 0.354 28 Y C -2.645 173.145 175.900 -0.182 0.000 1.063 28 Y CA -3.053 54.857 58.100 -0.316 0.000 1.205 28 Y CB 0.640 38.733 38.460 -0.612 0.000 1.106 28 Y HN -0.062 nan 8.280 nan 0.000 0.649 29 P HA 0.267 nan 4.420 nan 0.000 0.274 29 P C 0.984 178.311 177.300 0.046 0.000 1.237 29 P CA 0.650 63.758 63.100 0.012 0.000 0.793 29 P CB 1.061 32.753 31.700 -0.013 0.000 0.977 30 G N -0.459 108.373 108.800 0.052 0.000 2.159 30 G HA2 -0.182 3.777 3.960 -0.000 0.000 0.256 30 G HA3 -0.182 3.777 3.960 -0.000 0.000 0.256 30 G C -0.179 174.765 174.900 0.075 0.000 0.977 30 G CA -0.062 45.071 45.100 0.054 0.000 0.652 30 G HN 0.514 nan 8.290 nan 0.000 0.531 31 V N 1.030 121.011 119.914 0.112 0.000 2.347 31 V HA 0.448 4.568 4.120 -0.000 0.000 0.280 31 V C 0.557 176.732 176.094 0.135 0.000 1.021 31 V CA -0.693 61.694 62.300 0.145 0.000 0.847 31 V CB 1.740 33.719 31.823 0.259 0.000 0.990 31 V HN 0.423 nan 8.190 nan 0.000 0.444 32 E N 4.263 124.510 120.200 0.079 0.000 2.265 32 E HA 0.264 4.613 4.350 -0.000 0.000 0.272 32 E C -0.982 175.633 176.600 0.024 0.000 1.067 32 E CA -0.325 56.104 56.400 0.049 0.000 0.900 32 E CB 1.077 30.793 29.700 0.026 0.000 1.017 32 E HN 0.517 nan 8.360 nan 0.000 0.431 33 V N 6.742 126.663 119.914 0.012 0.000 2.383 33 V HA 0.207 4.327 4.120 -0.000 0.000 0.275 33 V C -0.031 176.016 176.094 -0.080 0.000 1.036 33 V CA -0.620 61.635 62.300 -0.075 0.000 0.889 33 V CB 0.900 32.663 31.823 -0.100 0.000 0.985 33 V HN 0.581 nan 8.190 nan 0.000 0.459 34 I N 4.770 125.276 120.570 -0.107 0.000 2.297 34 I HA 0.271 4.440 4.170 -0.000 0.000 0.291 34 I C 0.500 176.551 176.117 -0.110 0.000 1.033 34 I CA 0.083 61.335 61.300 -0.079 0.000 1.253 34 I CB 0.729 38.696 38.000 -0.055 0.000 1.396 34 I HN 0.479 nan 8.210 nan 0.000 0.476 35 N N 6.042 124.692 118.700 -0.083 0.000 2.719 35 N HA 0.343 5.083 4.740 -0.000 0.000 0.243 35 N C -0.434 175.037 175.510 -0.064 0.000 1.104 35 N CA -0.310 52.691 53.050 -0.083 0.000 0.981 35 N CB 0.647 39.107 38.487 -0.046 0.000 1.290 35 N HN 0.637 nan 8.380 nan 0.000 0.513 36 A N 2.843 125.619 122.820 -0.073 0.000 2.666 36 A HA 0.336 4.656 4.320 -0.000 0.000 0.312 36 A C 0.522 177.971 177.584 -0.225 0.000 1.471 36 A CA -0.556 51.434 52.037 -0.078 0.000 1.134 36 A CB -0.755 18.265 19.000 0.034 0.000 1.129 36 A HN 0.601 nan 8.150 nan 0.000 0.539 37 T N -0.934 113.510 114.554 -0.183 0.000 2.907 37 T HA 0.626 4.976 4.350 -0.000 0.000 0.284 37 T C -0.390 174.168 174.700 -0.237 0.000 1.004 37 T CA -0.693 61.267 62.100 -0.232 0.000 1.063 37 T CB 1.555 70.374 68.868 -0.080 0.000 0.992 37 T HN 0.336 nan 8.240 nan 0.000 0.483 38 V N 2.842 122.593 119.914 -0.273 0.000 2.376 38 V HA 0.331 4.451 4.120 -0.000 0.000 0.287 38 V C 0.482 176.547 176.094 -0.048 0.000 1.015 38 V CA -0.868 61.342 62.300 -0.150 0.000 0.834 38 V CB 1.363 33.085 31.823 -0.168 0.000 1.001 38 V HN 1.142 nan 8.190 nan 0.000 0.428 39 T N 3.788 118.334 114.554 -0.013 0.000 2.888 39 T HA 0.516 4.865 4.350 -0.000 0.000 0.301 39 T C 0.497 175.203 174.700 0.009 0.000 1.001 39 T CA 0.616 62.733 62.100 0.028 0.000 1.147 39 T CB 0.674 69.556 68.868 0.023 0.000 0.931 39 T HN 1.254 nan 8.240 nan 0.000 0.541 40 G N 1.793 110.608 108.800 0.025 0.000 1.875 40 G HA2 0.441 4.401 3.960 -0.000 0.000 0.218 40 G HA3 0.441 4.401 3.960 -0.000 0.000 0.218 40 G C -0.085 174.745 174.900 -0.116 0.000 1.648 40 G CA -0.611 44.468 45.100 -0.035 0.000 0.941 40 G HN 0.889 nan 8.290 nan 0.000 0.689 41 G N 0.431 109.270 108.800 0.065 0.000 2.353 41 G HA2 0.559 4.519 3.960 -0.000 0.000 0.239 41 G HA3 0.559 4.519 3.960 -0.000 0.000 0.239 41 G C 1.348 175.810 174.900 -0.730 0.000 1.295 41 G CA 1.546 46.697 45.100 0.086 0.000 0.884 41 G HN 2.457 nan 8.290 nan 0.000 0.537 42 A N 0.742 122.993 122.820 -0.949 0.000 2.979 42 A HA 0.165 4.485 4.320 -0.000 0.000 0.260 42 A C 2.281 179.019 177.584 -1.410 0.000 1.282 42 A CA 1.890 53.231 52.037 -1.160 0.000 0.971 42 A CB -1.428 16.441 19.000 -1.884 0.000 1.124 42 A HN 3.003 nan 8.150 nan 0.000 0.826 43 G N -3.684 103.867 108.800 -2.083 0.000 2.143 43 G HA2 -0.128 3.831 3.960 -0.000 0.000 0.249 43 G HA3 -0.128 3.831 3.960 -0.000 0.000 0.249 43 G C 1.209 175.524 174.900 -0.975 0.000 0.981 43 G CA 1.029 44.731 45.100 -2.329 0.000 0.665 43 G HN 1.572 nan 8.290 nan 0.000 0.528 44 V N 0.720 120.235 119.914 -0.666 0.000 2.255 44 V HA -0.246 3.874 4.120 -0.000 0.000 0.247 44 V C 2.657 178.616 176.094 -0.225 0.000 1.051 44 V CA 2.549 64.641 62.300 -0.347 0.000 1.018 44 V CB -0.441 31.252 31.823 -0.216 0.000 0.641 44 V HN 0.510 nan 8.190 nan 0.000 0.445 45 N N 0.425 119.007 118.700 -0.196 0.000 2.142 45 N HA -0.081 4.659 4.740 -0.000 0.000 0.186 45 N C 1.922 177.395 175.510 -0.062 0.000 1.023 45 N CA 1.644 54.633 53.050 -0.100 0.000 0.852 45 N CB -0.613 37.832 38.487 -0.069 0.000 0.998 45 N HN 0.480 nan 8.380 nan 0.000 0.424 46 A N 1.698 124.459 122.820 -0.098 0.000 1.908 46 A HA -0.160 4.160 4.320 -0.000 0.000 0.218 46 A C 2.261 179.949 177.584 0.174 0.000 1.181 46 A CA 1.326 53.401 52.037 0.064 0.000 0.627 46 A CB -0.478 18.572 19.000 0.084 0.000 0.818 46 A HN 0.253 nan 8.150 nan 0.000 0.445 47 R N -0.728 119.772 120.500 0.000 0.000 2.081 47 R HA -0.104 4.236 4.340 -0.000 0.000 0.235 47 R C 2.508 178.823 176.300 0.023 0.000 1.131 47 R CA 1.279 57.392 56.100 0.023 0.000 0.960 47 R CB -0.474 29.793 30.300 -0.054 0.000 0.856 47 R HN 0.531 nan 8.270 nan 0.000 0.436 48 A N 0.577 123.394 122.820 -0.004 0.000 1.898 48 A HA -0.100 4.219 4.320 -0.000 0.000 0.216 48 A C 2.354 179.948 177.584 0.017 0.000 1.181 48 A CA 1.299 53.333 52.037 -0.005 0.000 0.620 48 A CB -0.459 18.529 19.000 -0.019 0.000 0.819 48 A HN 0.114 nan 8.150 nan 0.000 0.442 49 V N -0.316 119.636 119.914 0.063 0.000 2.295 49 V HA -0.221 3.899 4.120 -0.000 0.000 0.246 49 V C 2.483 178.581 176.094 0.006 0.000 1.049 49 V CA 1.934 64.288 62.300 0.090 0.000 1.024 49 V CB -0.793 31.161 31.823 0.218 0.000 0.648 49 V HN 0.571 nan 8.190 nan 0.000 0.447 50 L N 0.425 121.618 121.223 -0.050 0.000 2.083 50 L HA -0.164 4.176 4.340 -0.000 0.000 0.209 50 L C 2.430 179.181 176.870 -0.199 0.000 1.083 50 L CA 2.179 56.776 54.840 -0.405 0.000 0.752 50 L CB -0.817 40.852 42.059 -0.650 0.000 0.899 50 L HN 0.290 nan 8.230 nan 0.000 0.433 51 K N -1.424 118.966 120.400 -0.018 0.000 2.032 51 K HA -0.195 4.125 4.320 -0.000 0.000 0.209 51 K C 1.881 178.476 176.600 -0.007 0.000 1.048 51 K CA 2.081 58.395 56.287 0.046 0.000 0.927 51 K CB -0.239 32.267 32.500 0.010 0.000 0.712 51 K HN 0.389 nan 8.250 nan 0.000 0.441 52 T N 0.696 115.233 114.554 -0.029 0.000 2.708 52 T HA -0.092 4.257 4.350 -0.000 0.000 0.266 52 T C 1.808 176.480 174.700 -0.046 0.000 1.037 52 T CA 1.255 63.338 62.100 -0.029 0.000 1.146 52 T CB -0.153 68.704 68.868 -0.019 0.000 0.865 52 T HN 0.308 nan 8.240 nan 0.000 0.435 53 R N 0.427 120.876 120.500 -0.086 0.000 2.083 53 R HA -0.037 4.303 4.340 -0.000 0.000 0.237 53 R C 2.573 178.806 176.300 -0.111 0.000 1.137 53 R CA 1.330 57.360 56.100 -0.117 0.000 0.951 53 R CB -0.309 29.866 30.300 -0.208 0.000 0.851 53 R HN 0.339 nan 8.270 nan 0.000 0.434 54 M N 0.403 119.929 119.600 -0.123 0.000 2.132 54 M HA -0.116 4.363 4.480 -0.000 0.000 0.263 54 M C 2.325 178.625 176.300 -0.001 0.000 1.065 54 M CA 1.493 56.754 55.300 -0.064 0.000 1.122 54 M CB -0.679 31.924 32.600 0.005 0.000 1.365 54 M HN 0.177 nan 8.290 nan 0.000 0.411 55 L N -0.857 120.368 121.223 0.004 0.000 2.291 55 L HA -0.049 4.291 4.340 -0.000 0.000 0.214 55 L C 2.099 178.966 176.870 -0.005 0.000 1.120 55 L CA 0.793 55.636 54.840 0.005 0.000 0.799 55 L CB -0.806 41.251 42.059 -0.003 0.000 0.925 55 L HN 0.366 nan 8.230 nan 0.000 0.446 56 G N -1.279 107.512 108.800 -0.015 0.000 3.233 56 G HA2 0.294 4.254 3.960 -0.000 0.000 0.227 56 G HA3 0.294 4.254 3.960 -0.000 0.000 0.227 56 G C 1.138 176.029 174.900 -0.015 0.000 1.175 56 G CA 0.339 45.430 45.100 -0.015 0.000 0.781 56 G HN 0.426 nan 8.290 nan 0.000 0.542 57 G N 0.391 109.182 108.800 -0.014 0.000 2.176 57 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.252 57 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.252 57 G C 0.085 174.973 174.900 -0.020 0.000 1.024 57 G CA 0.386 45.480 45.100 -0.010 0.000 0.755 57 G HN 0.528 nan 8.290 nan 0.000 0.507 58 D N 0.331 120.708 120.400 -0.039 0.000 2.886 58 D HA 0.333 4.972 4.640 -0.000 0.000 0.355 58 D C -1.753 174.497 176.300 -0.082 0.000 1.274 58 D CA -1.524 52.448 54.000 -0.047 0.000 0.836 58 D CB 1.053 41.828 40.800 -0.041 0.000 1.109 58 D HN 0.292 nan 8.370 nan 0.000 0.488 59 P HA 0.214 nan 4.420 nan 0.000 0.271 59 P C -2.480 174.767 177.300 -0.088 0.000 1.218 59 P CA -1.040 61.988 63.100 -0.119 0.000 0.780 59 P CB 0.637 32.300 31.700 -0.061 0.000 0.901 60 P HA 0.087 nan 4.420 nan 0.000 0.277 60 P C 0.317 177.618 177.300 0.002 0.000 1.276 60 P CA 0.020 63.102 63.100 -0.030 0.000 0.788 60 P CB 0.694 32.402 31.700 0.013 0.000 1.114 61 D N -1.841 118.549 120.400 -0.016 0.000 2.234 61 D HA 0.009 4.649 4.640 -0.000 0.000 0.205 61 D C 0.691 176.983 176.300 -0.015 0.000 0.962 61 D CA 1.510 55.492 54.000 -0.030 0.000 0.855 61 D CB 0.222 40.974 40.800 -0.080 0.000 0.951 61 D HN 0.338 nan 8.370 nan 0.000 0.500 62 T N -0.809 113.748 114.554 0.005 0.000 2.886 62 T HA 0.462 4.812 4.350 -0.000 0.000 0.330 62 T C -2.000 172.834 174.700 0.223 0.000 1.488 62 T CA -0.888 61.241 62.100 0.048 0.000 1.054 62 T CB 0.839 69.742 68.868 0.058 0.000 1.348 62 T HN -0.023 nan 8.240 nan 0.000 0.489 63 F N 1.294 121.353 119.950 0.182 0.000 2.578 63 F HA 0.636 5.162 4.527 -0.000 0.000 0.311 63 F C -0.221 175.517 175.800 -0.102 0.000 1.094 63 F CA -1.259 56.823 58.000 0.137 0.000 0.923 63 F CB 1.566 40.520 39.000 -0.077 0.000 1.230 63 F HN 0.587 nan 8.300 nan 0.000 0.450 64 Q N 2.610 122.272 119.800 -0.231 0.000 2.262 64 Q HA 0.372 4.712 4.340 -0.000 0.000 0.298 64 Q C -1.427 174.367 176.000 -0.344 0.000 1.083 64 Q CA 0.150 55.423 55.803 -0.883 0.000 0.962 64 Q CB 0.864 28.833 28.738 -1.281 0.000 1.104 64 Q HN 0.846 nan 8.270 nan 0.000 0.376 65 V N 4.752 124.427 119.914 -0.398 0.000 2.932 65 V HA 0.280 4.400 4.120 -0.000 0.000 0.307 65 V C -1.525 174.508 176.094 -0.102 0.000 1.147 65 V CA -0.719 61.529 62.300 -0.086 0.000 0.951 65 V CB 2.183 34.084 31.823 0.131 0.000 1.031 65 V HN 0.997 nan 8.190 nan 0.000 0.426 66 H N 4.169 123.323 119.070 0.140 0.000 2.848 66 H HA 0.583 5.138 4.556 -0.000 0.000 0.317 66 H C 0.795 176.183 175.328 0.100 0.000 1.046 66 H CA 0.398 56.520 56.048 0.123 0.000 1.470 66 H CB 1.275 31.140 29.762 0.172 0.000 1.483 66 H HN 1.005 nan 8.280 nan 0.000 0.548 67 A N 3.508 126.453 122.820 0.208 0.000 2.531 67 A HA 0.421 4.740 4.320 -0.000 0.000 0.236 67 A C 1.221 178.886 177.584 0.136 0.000 1.062 67 A CA 0.770 52.892 52.037 0.141 0.000 0.760 67 A CB -0.530 18.529 19.000 0.099 0.000 0.995 67 A HN 1.063 nan 8.150 nan 0.000 0.501 68 G N 0.916 109.779 108.800 0.105 0.000 2.384 68 G HA2 -0.087 3.873 3.960 -0.000 0.000 0.200 68 G HA3 -0.087 3.873 3.960 -0.000 0.000 0.200 68 G C 0.670 175.586 174.900 0.028 0.000 1.205 68 G CA 0.021 45.161 45.100 0.066 0.000 1.116 68 G HN 0.649 nan 8.290 nan 0.000 0.547 69 M N 0.803 120.394 119.600 -0.014 0.000 2.279 69 M HA 0.012 4.492 4.480 -0.000 0.000 0.264 69 M C 2.137 178.407 176.300 -0.050 0.000 1.062 69 M CA 2.229 57.494 55.300 -0.059 0.000 1.099 69 M CB -1.238 31.309 32.600 -0.089 0.000 1.394 69 M HN 0.763 nan 8.290 nan 0.000 0.426 70 E N 0.706 120.913 120.200 0.012 0.000 2.031 70 E HA -0.235 4.115 4.350 -0.000 0.000 0.193 70 E C 2.056 178.704 176.600 0.081 0.000 0.994 70 E CA 1.212 57.644 56.400 0.053 0.000 0.800 70 E CB -0.100 29.701 29.700 0.168 0.000 0.752 70 E HN 0.282 nan 8.360 nan 0.000 0.447 71 L N 1.253 122.567 121.223 0.152 0.000 1.956 71 L HA -0.231 4.109 4.340 -0.000 0.000 0.216 71 L C 2.267 179.171 176.870 0.057 0.000 1.073 71 L CA 1.792 56.758 54.840 0.210 0.000 0.762 71 L CB -0.680 41.486 42.059 0.177 0.000 0.889 71 L HN 0.281 nan 8.230 nan 0.000 0.433 72 I N -0.013 120.509 120.570 -0.081 0.000 2.202 72 I HA -0.137 4.033 4.170 -0.000 0.000 0.242 72 I C 2.624 178.517 176.117 -0.372 0.000 1.091 72 I CA 1.498 62.612 61.300 -0.309 0.000 1.368 72 I CB -2.406 35.344 38.000 -0.416 0.000 1.058 72 I HN 0.428 nan 8.210 nan 0.000 0.410 73 G N -0.249 108.384 108.800 -0.278 0.000 2.443 73 G HA2 -0.151 3.808 3.960 -0.000 0.000 0.219 73 G HA3 -0.151 3.808 3.960 -0.000 0.000 0.219 73 G C 1.636 176.361 174.900 -0.292 0.000 1.131 73 G CA 1.275 46.217 45.100 -0.262 0.000 0.775 73 G HN 0.375 nan 8.290 nan 0.000 0.547 74 T N -0.778 113.557 114.554 -0.366 0.000 2.990 74 T HA 0.020 4.370 4.350 -0.000 0.000 0.237 74 T C 1.952 176.239 174.700 -0.689 0.000 1.009 74 T CA 0.549 62.258 62.100 -0.652 0.000 1.195 74 T CB -0.158 68.154 68.868 -0.927 0.000 0.885 74 T HN 0.479 nan 8.240 nan 0.000 0.424 75 W N 0.788 122.048 121.300 -0.068 0.000 2.539 75 W HA 0.196 4.856 4.660 -0.000 0.000 0.281 75 W C 2.292 178.734 176.519 -0.128 0.000 1.220 75 W CA -0.169 57.156 57.345 -0.033 0.000 1.332 75 W CB -0.376 29.154 29.460 0.116 0.000 1.095 75 W HN -0.033 nan 8.180 nan 0.000 0.571 76 V N -0.239 119.629 119.914 -0.076 0.000 2.346 76 V HA -0.212 3.908 4.120 -0.000 0.000 0.244 76 V C 1.879 177.778 176.094 -0.324 0.000 1.037 76 V CA 1.233 63.292 62.300 -0.401 0.000 1.029 76 V CB -1.009 30.344 31.823 -0.783 0.000 0.663 76 V HN -0.027 nan 8.190 nan 0.000 0.454 77 V N 0.681 120.433 119.914 -0.270 0.000 2.490 77 V HA -0.211 3.909 4.120 -0.000 0.000 0.250 77 V C 2.525 178.559 176.094 -0.099 0.000 1.061 77 V CA 1.856 64.062 62.300 -0.157 0.000 1.064 77 V CB -0.931 30.784 31.823 -0.181 0.000 0.670 77 V HN 0.555 nan 8.190 nan 0.000 0.461 78 A N -0.239 122.519 122.820 -0.104 0.000 2.239 78 A HA -0.048 4.272 4.320 -0.000 0.000 0.209 78 A C 1.318 178.905 177.584 0.006 0.000 1.171 78 A CA 0.905 52.912 52.037 -0.051 0.000 0.768 78 A CB -0.709 18.253 19.000 -0.062 0.000 0.790 78 A HN 0.675 nan 8.150 nan 0.000 0.478 79 N N -1.740 116.954 118.700 -0.010 0.000 2.741 79 N HA -0.156 4.583 4.740 -0.000 0.000 0.250 79 N C 0.488 176.047 175.510 0.082 0.000 1.115 79 N CA 1.035 54.099 53.050 0.024 0.000 0.724 79 N CB -0.783 37.727 38.487 0.038 0.000 1.090 79 N HN 0.463 nan 8.380 nan 0.000 0.558 80 R N -0.944 119.631 120.500 0.124 0.000 2.362 80 R HA 0.257 4.596 4.340 -0.000 0.000 0.227 80 R C 0.245 176.663 176.300 0.197 0.000 0.905 80 R CA 0.371 56.583 56.100 0.186 0.000 1.067 80 R CB 0.180 30.665 30.300 0.308 0.000 1.078 80 R HN 0.269 nan 8.270 nan 0.000 0.516 81 M N 0.490 120.211 119.600 0.202 0.000 2.578 81 M HA 0.346 4.825 4.480 -0.000 0.000 0.321 81 M C 0.025 176.565 176.300 0.401 0.000 1.182 81 M CA -0.944 54.519 55.300 0.272 0.000 0.965 81 M CB 1.684 34.474 32.600 0.316 0.000 1.694 81 M HN -0.138 nan 8.290 nan 0.000 0.461 82 E N 1.049 121.453 120.200 0.341 0.000 2.331 82 E HA 0.115 4.465 4.350 -0.000 0.000 0.272 82 E C -0.864 175.899 176.600 0.271 0.000 1.036 82 E CA -0.465 56.114 56.400 0.298 0.000 0.864 82 E CB 1.065 30.862 29.700 0.162 0.000 1.035 82 E HN 0.386 nan 8.360 nan 0.000 0.408 83 D N 2.724 123.130 120.400 0.010 0.000 2.383 83 D HA 0.016 4.655 4.640 -0.000 0.000 0.252 83 D C 0.133 176.292 176.300 -0.234 0.000 1.166 83 D CA 0.124 53.797 54.000 -0.546 0.000 0.879 83 D CB 0.674 41.139 40.800 -0.557 0.000 1.164 83 D HN 0.361 nan 8.370 nan 0.000 0.462 84 L N 2.845 123.933 121.223 -0.224 0.000 2.700 84 L HA 0.098 4.438 4.340 -0.000 0.000 0.234 84 L C 2.062 178.980 176.870 0.081 0.000 1.156 84 L CA -0.313 54.557 54.840 0.049 0.000 0.946 84 L CB -0.029 42.204 42.059 0.291 0.000 1.216 84 L HN 0.264 nan 8.230 nan 0.000 0.493 85 S N 1.417 117.034 115.700 -0.139 0.000 2.368 85 S HA -0.312 4.158 4.470 -0.000 0.000 0.226 85 S C 2.301 176.927 174.600 0.045 0.000 1.044 85 S CA 1.988 60.131 58.200 -0.095 0.000 1.062 85 S CB -0.138 62.968 63.200 -0.158 0.000 0.931 85 S HN 0.604 nan 8.310 nan 0.000 0.440 86 A N 1.041 123.870 122.820 0.014 0.000 1.902 86 A HA -0.048 4.272 4.320 -0.000 0.000 0.217 86 A C 2.118 179.709 177.584 0.012 0.000 1.181 86 A CA 1.461 53.505 52.037 0.011 0.000 0.623 86 A CB -0.761 18.234 19.000 -0.008 0.000 0.818 86 A HN 0.400 nan 8.150 nan 0.000 0.443 87 L N -1.363 119.886 121.223 0.043 0.000 2.013 87 L HA -0.142 4.197 4.340 -0.000 0.000 0.212 87 L C 2.203 178.977 176.870 -0.160 0.000 1.073 87 L CA 1.984 56.797 54.840 -0.045 0.000 0.753 87 L CB -0.919 41.177 42.059 0.062 0.000 0.890 87 L HN 0.365 nan 8.230 nan 0.000 0.432 88 F N -0.078 119.841 119.950 -0.050 0.000 2.126 88 F HA -0.199 4.328 4.527 -0.000 0.000 0.299 88 F C 2.635 178.392 175.800 -0.072 0.000 1.096 88 F CA 1.642 59.693 58.000 0.084 0.000 1.255 88 F CB -0.458 38.708 39.000 0.278 0.000 0.997 88 F HN 0.073 nan 8.300 nan 0.000 0.479 89 R N -0.341 120.224 120.500 0.107 0.000 2.073 89 R HA -0.128 4.212 4.340 -0.000 0.000 0.229 89 R C 2.132 178.381 176.300 -0.085 0.000 1.120 89 R CA 1.265 57.381 56.100 0.026 0.000 0.967 89 R CB -0.545 29.773 30.300 0.029 0.000 0.862 89 R HN 0.354 nan 8.270 nan 0.000 0.436 90 Q N 0.348 120.064 119.800 -0.140 0.000 2.135 90 Q HA -0.157 4.183 4.340 -0.000 0.000 0.204 90 Q C 1.332 177.153 176.000 -0.299 0.000 0.981 90 Q CA 1.162 56.852 55.803 -0.189 0.000 0.856 90 Q CB 0.147 28.775 28.738 -0.182 0.000 0.902 90 Q HN 0.246 nan 8.270 nan 0.000 0.425 91 E N -0.957 118.916 120.200 -0.544 0.000 2.479 91 E HA 0.067 4.417 4.350 -0.000 0.000 0.193 91 E C 0.755 177.040 176.600 -0.524 0.000 1.049 91 E CA 0.575 56.504 56.400 -0.785 0.000 0.870 91 E CB 0.714 29.267 29.700 -1.912 0.000 0.944 91 E HN 0.465 nan 8.360 nan 0.000 0.492 92 G N 1.286 109.926 108.800 -0.267 0.000 2.198 92 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.260 92 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.260 92 G C 0.424 175.370 174.900 0.077 0.000 1.025 92 G CA 0.361 45.421 45.100 -0.068 0.000 0.769 92 G HN 0.235 nan 8.290 nan 0.000 0.507 93 W N -0.268 121.020 121.300 -0.019 0.000 2.905 93 W HA 0.331 4.990 4.660 -0.000 0.000 0.251 93 W C 2.239 178.886 176.519 0.213 0.000 1.305 93 W CA 0.482 57.808 57.345 -0.031 0.000 1.465 93 W CB -0.571 28.807 29.460 -0.137 0.000 1.122 93 W HN 0.400 nan 8.180 nan 0.000 0.659 94 L N -0.043 121.438 121.223 0.431 0.000 2.275 94 L HA -0.193 4.147 4.340 -0.000 0.000 0.215 94 L C 1.932 178.931 176.870 0.215 0.000 1.119 94 L CA 1.137 56.181 54.840 0.339 0.000 0.790 94 L CB -0.475 41.724 42.059 0.234 0.000 0.919 94 L HN -0.108 nan 8.230 nan 0.000 0.443 95 Q N -0.650 119.237 119.800 0.145 0.000 2.376 95 Q HA 0.127 4.467 4.340 -0.000 0.000 0.206 95 Q C 2.165 178.180 176.000 0.025 0.000 0.921 95 Q CA 0.920 56.769 55.803 0.076 0.000 0.911 95 Q CB 0.048 28.812 28.738 0.043 0.000 1.032 95 Q HN 0.384 nan 8.270 nan 0.000 0.510 96 A N -0.593 122.203 122.820 -0.041 0.000 2.072 96 A HA 0.159 4.478 4.320 -0.000 0.000 0.216 96 A C -0.065 177.268 177.584 -0.418 0.000 1.156 96 A CA 0.486 52.356 52.037 -0.277 0.000 0.701 96 A CB 0.149 18.885 19.000 -0.439 0.000 0.816 96 A HN 0.188 nan 8.150 nan 0.000 0.458 97 F N -0.193 119.822 119.950 0.107 0.000 2.522 97 F HA 0.504 5.031 4.527 -0.000 0.000 0.324 97 F C -2.321 173.547 175.800 0.113 0.000 1.077 97 F CA -3.319 54.743 58.000 0.104 0.000 0.944 97 F CB 1.028 40.102 39.000 0.123 0.000 1.175 97 F HN -0.154 nan 8.300 nan 0.000 0.468 98 P HA 0.092 nan 4.420 nan 0.000 0.268 98 P C 0.160 177.566 177.300 0.176 0.000 1.205 98 P CA -0.111 63.100 63.100 0.185 0.000 0.771 98 P CB 0.841 32.624 31.700 0.138 0.000 0.858 99 K N 2.070 122.535 120.400 0.109 0.000 2.063 99 K HA -0.140 4.179 4.320 -0.000 0.000 0.208 99 K C 2.254 178.908 176.600 0.089 0.000 1.048 99 K CA 1.926 58.271 56.287 0.097 0.000 0.928 99 K CB -0.843 31.692 32.500 0.058 0.000 0.713 99 K HN 0.638 nan 8.250 nan 0.000 0.442 100 G N 1.507 110.347 108.800 0.067 0.000 2.442 100 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.219 100 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.219 100 G C 1.421 176.390 174.900 0.116 0.000 1.141 100 G CA 0.560 45.702 45.100 0.071 0.000 0.763 100 G HN 0.138 nan 8.290 nan 0.000 0.554 101 L N 0.764 122.079 121.223 0.153 0.000 2.095 101 L HA 0.165 4.505 4.340 -0.000 0.000 0.204 101 L C 2.642 179.569 176.870 0.094 0.000 1.080 101 L CA 0.953 55.881 54.840 0.148 0.000 0.759 101 L CB -0.326 41.839 42.059 0.176 0.000 0.914 101 L HN 0.103 nan 8.230 nan 0.000 0.439 102 I N -0.036 120.604 120.570 0.115 0.000 2.151 102 I HA -0.321 3.849 4.170 -0.000 0.000 0.243 102 I C 2.093 178.247 176.117 0.061 0.000 1.080 102 I CA 1.488 62.840 61.300 0.087 0.000 1.339 102 I CB -1.334 36.743 38.000 0.128 0.000 1.039 102 I HN 0.326 nan 8.210 nan 0.000 0.409 103 D N 1.026 121.474 120.400 0.079 0.000 2.123 103 D HA -0.164 4.475 4.640 -0.000 0.000 0.196 103 D C 2.397 178.756 176.300 0.099 0.000 0.992 103 D CA 1.071 55.122 54.000 0.084 0.000 0.833 103 D CB -0.266 40.582 40.800 0.080 0.000 0.954 103 D HN 0.338 nan 8.370 nan 0.000 0.455 104 L N 0.666 121.947 121.223 0.097 0.000 2.201 104 L HA -0.070 4.269 4.340 -0.000 0.000 0.212 104 L C 2.186 179.122 176.870 0.109 0.000 1.105 104 L CA 0.679 55.578 54.840 0.099 0.000 0.775 104 L CB -0.278 41.841 42.059 0.101 0.000 0.913 104 L HN 0.135 nan 8.230 nan 0.000 0.440 105 I N -5.315 115.316 120.570 0.102 0.000 3.976 105 I HA 0.213 4.383 4.170 -0.000 0.000 0.337 105 I C 0.369 176.606 176.117 0.201 0.000 1.359 105 I CA -0.182 61.195 61.300 0.129 0.000 1.098 105 I CB 0.308 38.345 38.000 0.062 0.000 1.027 105 I HN -0.100 nan 8.210 nan 0.000 0.394 106 S N 0.638 116.455 115.700 0.195 0.000 2.593 106 S HA 0.672 5.142 4.470 -0.000 0.000 0.297 106 S C -1.283 173.578 174.600 0.435 0.000 1.112 106 S CA -0.359 57.985 58.200 0.240 0.000 1.043 106 S CB 1.682 64.936 63.200 0.090 0.000 1.054 106 S HN 0.369 nan 8.310 nan 0.000 0.516 107 Y N 1.260 121.777 120.300 0.362 0.000 2.393 107 Y HA 0.212 4.762 4.550 -0.000 0.000 0.320 107 Y C -0.705 175.424 175.900 0.381 0.000 1.241 107 Y CA -0.882 57.407 58.100 0.316 0.000 1.122 107 Y CB 0.633 39.217 38.460 0.206 0.000 1.322 107 Y HN 0.684 nan 8.280 nan 0.000 0.441 108 K N 4.373 124.541 120.400 -0.387 0.000 3.078 108 K HA -0.233 4.087 4.320 -0.000 0.000 0.261 108 K C 0.906 177.498 176.600 -0.013 0.000 0.947 108 K CA 1.457 57.572 56.287 -0.286 0.000 0.702 108 K CB -1.686 30.559 32.500 -0.425 0.000 1.318 108 K HN 1.735 nan 8.250 nan 0.000 0.473 109 G N -1.687 107.119 108.800 0.010 0.000 2.179 109 G HA2 -0.289 3.670 3.960 -0.000 0.000 0.260 109 G HA3 -0.289 3.670 3.960 -0.000 0.000 0.260 109 G C 0.416 175.285 174.900 -0.052 0.000 0.977 109 G CA 0.470 45.566 45.100 -0.006 0.000 0.641 109 G HN 0.846 nan 8.290 nan 0.000 0.533 110 G N -0.701 108.086 108.800 -0.021 0.000 2.434 110 G HA2 0.703 4.663 3.960 -0.000 0.000 0.330 110 G HA3 0.703 4.663 3.960 -0.000 0.000 0.330 110 G C -0.535 173.958 174.900 -0.679 0.000 1.155 110 G CA -0.940 43.861 45.100 -0.499 0.000 0.917 110 G HN 0.618 nan 8.290 nan 0.000 0.493 111 I N -0.262 119.732 120.570 -0.961 0.000 2.436 111 I HA 0.306 4.476 4.170 -0.000 0.000 0.289 111 I C -0.533 175.165 176.117 -0.698 0.000 1.010 111 I CA -0.519 60.348 61.300 -0.723 0.000 1.098 111 I CB 2.311 39.818 38.000 -0.822 0.000 1.266 111 I HN 0.714 nan 8.210 nan 0.000 0.434 112 W N 3.809 125.087 121.300 -0.037 0.000 2.871 112 W HA 0.222 4.881 4.660 -0.000 0.000 0.340 112 W C 0.681 177.240 176.519 0.066 0.000 1.058 112 W CA -0.148 57.226 57.345 0.048 0.000 1.633 112 W CB 0.704 30.211 29.460 0.077 0.000 1.067 112 W HN 0.535 nan 8.180 nan 0.000 0.554 113 S N -1.100 114.744 115.700 0.241 0.000 2.611 113 S HA 0.640 5.110 4.470 -0.000 0.000 0.268 113 S C -1.283 173.478 174.600 0.267 0.000 1.156 113 S CA -0.968 57.356 58.200 0.206 0.000 0.817 113 S CB 1.832 65.096 63.200 0.106 0.000 1.122 113 S HN -0.237 nan 8.310 nan 0.000 0.466 114 V N 2.224 122.236 119.914 0.164 0.000 2.334 114 V HA 0.506 4.626 4.120 -0.000 0.000 0.281 114 V C -2.612 173.396 176.094 -0.144 0.000 1.016 114 V CA -1.914 60.366 62.300 -0.033 0.000 0.832 114 V CB 0.931 32.665 31.823 -0.148 0.000 0.999 114 V HN 0.771 nan 8.190 nan 0.000 0.439 115 P HA 0.149 nan 4.420 nan 0.000 0.271 115 P C 0.417 177.590 177.300 -0.212 0.000 1.216 115 P CA 0.245 63.177 63.100 -0.281 0.000 0.771 115 P CB 1.614 33.050 31.700 -0.439 0.000 0.864 116 V N 1.940 121.821 119.914 -0.054 0.000 3.621 116 V HA 0.152 4.272 4.120 -0.000 0.000 0.263 116 V C 0.068 176.152 176.094 -0.015 0.000 1.272 116 V CA 0.928 63.232 62.300 0.007 0.000 1.080 116 V CB -0.390 31.531 31.823 0.163 0.000 0.816 116 V HN 0.793 nan 8.190 nan 0.000 0.451 117 N N -0.624 118.048 118.700 -0.046 0.000 3.179 117 N HA 0.345 5.085 4.740 -0.000 0.000 0.250 117 N C -1.670 173.745 175.510 -0.159 0.000 1.507 117 N CA -0.642 52.345 53.050 -0.106 0.000 0.883 117 N CB 1.110 39.513 38.487 -0.139 0.000 1.435 117 N HN -0.144 nan 8.380 nan 0.000 0.532 118 I N 0.703 121.113 120.570 -0.267 0.000 2.499 118 I HA 0.335 4.505 4.170 -0.000 0.000 0.288 118 I C -0.553 175.460 176.117 -0.174 0.000 1.048 118 I CA -0.257 60.859 61.300 -0.307 0.000 1.062 118 I CB 1.162 38.666 38.000 -0.825 0.000 1.238 118 I HN 0.587 nan 8.210 nan 0.000 0.426 119 H N 4.724 123.845 119.070 0.084 0.000 2.567 119 H HA 0.508 5.063 4.556 -0.000 0.000 0.345 119 H C -0.499 174.918 175.328 0.149 0.000 1.169 119 H CA -0.627 55.516 56.048 0.158 0.000 1.227 119 H CB 2.706 32.649 29.762 0.302 0.000 1.607 119 H HN 0.426 nan 8.280 nan 0.000 0.534 120 R N 0.581 121.164 120.500 0.139 0.000 2.437 120 R HA 0.198 4.538 4.340 -0.000 0.000 0.310 120 R C 0.678 176.880 176.300 -0.163 0.000 0.955 120 R CA -0.234 55.737 56.100 -0.214 0.000 0.851 120 R CB 1.280 31.149 30.300 -0.718 0.000 1.161 120 R HN 0.599 nan 8.270 nan 0.000 0.446 121 S N 2.820 118.460 115.700 -0.099 0.000 2.362 121 S HA -0.101 4.369 4.470 -0.000 0.000 0.221 121 S C 0.734 175.318 174.600 -0.027 0.000 1.032 121 S CA 0.870 59.057 58.200 -0.022 0.000 0.973 121 S CB -0.030 63.135 63.200 -0.057 0.000 0.849 121 S HN 0.798 nan 8.310 nan 0.000 0.465 122 N N 2.394 121.004 118.700 -0.151 0.000 3.178 122 N HA 0.137 4.877 4.740 -0.000 0.000 0.300 122 N C -0.959 174.443 175.510 -0.180 0.000 1.242 122 N CA -0.038 52.925 53.050 -0.146 0.000 1.192 122 N CB 0.110 38.485 38.487 -0.186 0.000 1.463 122 N HN 0.165 nan 8.380 nan 0.000 0.539 123 V N 1.258 121.066 119.914 -0.176 0.000 2.656 123 V HA 0.408 4.528 4.120 -0.000 0.000 0.307 123 V C -0.058 175.750 176.094 -0.477 0.000 1.051 123 V CA -0.878 61.185 62.300 -0.396 0.000 0.893 123 V CB 2.067 33.527 31.823 -0.605 0.000 0.999 123 V HN 0.518 nan 8.190 nan 0.000 0.426 124 M N 4.518 123.841 119.600 -0.461 0.000 2.205 124 M HA 0.527 5.007 4.480 -0.000 0.000 0.344 124 M C -1.864 174.298 176.300 -0.231 0.000 1.085 124 M CA -0.224 54.953 55.300 -0.206 0.000 1.001 124 M CB 1.180 33.766 32.600 -0.022 0.000 1.626 124 M HN 0.707 nan 8.290 nan 0.000 0.442 125 W N 5.673 127.200 121.300 0.378 0.000 2.551 125 W HA 0.613 5.273 4.660 -0.000 0.000 0.330 125 W C -1.043 175.769 176.519 0.488 0.000 1.063 125 W CA -0.285 57.262 57.345 0.338 0.000 1.222 125 W CB 0.815 30.390 29.460 0.190 0.000 1.349 125 W HN 0.606 nan 8.180 nan 0.000 0.536 126 Y N -0.319 120.308 120.300 0.546 0.000 2.689 126 Y HA 0.729 5.279 4.550 -0.000 0.000 0.333 126 Y C -1.766 174.329 175.900 0.325 0.000 1.208 126 Y CA -1.928 56.401 58.100 0.382 0.000 1.055 126 Y CB 0.624 39.313 38.460 0.382 0.000 1.304 126 Y HN 0.135 nan 8.280 nan 0.000 0.455 127 L N 3.489 124.932 121.223 0.367 0.000 2.277 127 L HA 0.512 4.851 4.340 -0.000 0.000 0.284 127 L C -1.865 175.141 176.870 0.226 0.000 1.028 127 L CA -2.470 52.498 54.840 0.214 0.000 0.835 127 L CB 1.097 43.223 42.059 0.113 0.000 1.215 127 L HN 0.522 nan 8.230 nan 0.000 0.425 128 P HA -0.223 nan 4.420 nan 0.000 0.217 128 P C 1.305 178.643 177.300 0.064 0.000 1.151 128 P CA 1.695 64.912 63.100 0.195 0.000 0.849 128 P CB 0.378 32.128 31.700 0.083 0.000 0.787 129 A N -0.798 122.021 122.820 -0.002 0.000 1.968 129 A HA -0.151 4.169 4.320 -0.000 0.000 0.217 129 A C 2.073 179.541 177.584 -0.192 0.000 1.169 129 A CA 1.340 53.332 52.037 -0.075 0.000 0.638 129 A CB -0.692 18.266 19.000 -0.070 0.000 0.812 129 A HN 0.039 nan 8.150 nan 0.000 0.446 130 K N -0.408 119.833 120.400 -0.266 0.000 2.031 130 K HA 0.010 4.329 4.320 -0.000 0.000 0.205 130 K C 1.757 177.995 176.600 -0.604 0.000 1.049 130 K CA 0.769 56.643 56.287 -0.688 0.000 0.939 130 K CB -0.820 31.199 32.500 -0.802 0.000 0.717 130 K HN 0.362 nan 8.250 nan 0.000 0.438 131 L N 1.970 123.126 121.223 -0.112 0.000 2.042 131 L HA -0.146 4.194 4.340 -0.000 0.000 0.210 131 L C 2.460 179.367 176.870 0.061 0.000 1.076 131 L CA 1.677 56.594 54.840 0.128 0.000 0.749 131 L CB -0.741 41.403 42.059 0.141 0.000 0.893 131 L HN 0.202 nan 8.230 nan 0.000 0.432 132 K N -0.649 119.742 120.400 -0.015 0.000 2.002 132 K HA -0.157 4.163 4.320 -0.000 0.000 0.209 132 K C 2.047 178.620 176.600 -0.045 0.000 1.048 132 K CA 1.483 57.758 56.287 -0.019 0.000 0.930 132 K CB -0.565 31.917 32.500 -0.031 0.000 0.714 132 K HN 0.384 nan 8.250 nan 0.000 0.438 133 G N 0.009 108.717 108.800 -0.153 0.000 2.448 133 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.219 133 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.219 133 G C 0.868 175.723 174.900 -0.074 0.000 1.127 133 G CA 0.396 45.388 45.100 -0.179 0.000 0.766 133 G HN 0.374 nan 8.290 nan 0.000 0.552 134 W N -0.107 121.185 121.300 -0.013 0.000 3.077 134 W HA 0.329 4.989 4.660 -0.000 0.000 0.266 134 W C 1.669 178.179 176.519 -0.014 0.000 1.300 134 W CA 0.157 57.491 57.345 -0.019 0.000 1.586 134 W CB -0.387 29.052 29.460 -0.036 0.000 1.103 134 W HN 0.375 nan 8.180 nan 0.000 0.652 135 G N 1.144 110.052 108.800 0.181 0.000 2.160 135 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.244 135 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.244 135 G C -0.176 174.784 174.900 0.099 0.000 1.022 135 G CA 0.287 45.452 45.100 0.108 0.000 0.741 135 G HN 0.286 nan 8.290 nan 0.000 0.508 136 V N -3.467 116.525 119.914 0.131 0.000 2.919 136 V HA 0.881 5.001 4.120 -0.000 0.000 0.316 136 V C -0.010 176.128 176.094 0.073 0.000 1.077 136 V CA -1.831 60.530 62.300 0.102 0.000 0.977 136 V CB 2.033 33.935 31.823 0.132 0.000 1.039 136 V HN 0.137 nan 8.190 nan 0.000 0.441 137 N N 2.087 120.807 118.700 0.033 0.000 2.489 137 N HA 0.574 5.313 4.740 -0.000 0.000 0.284 137 N C -2.815 172.663 175.510 -0.053 0.000 1.158 137 N CA -1.564 51.474 53.050 -0.020 0.000 0.965 137 N CB 1.350 39.812 38.487 -0.041 0.000 1.195 137 N HN 0.633 nan 8.380 nan 0.000 0.506 138 P HA 0.182 nan 4.420 nan 0.000 0.271 138 P C -2.507 174.632 177.300 -0.270 0.000 1.233 138 P CA -0.850 62.052 63.100 -0.331 0.000 0.764 138 P CB -0.337 30.940 31.700 -0.705 0.000 0.825 139 P HA 0.186 nan 4.420 nan 0.000 0.268 139 P C 0.575 177.708 177.300 -0.278 0.000 1.204 139 P CA 0.029 62.967 63.100 -0.269 0.000 0.768 139 P CB 1.054 32.587 31.700 -0.277 0.000 0.842 140 R N 0.567 120.937 120.500 -0.216 0.000 2.290 140 R HA 0.115 4.455 4.340 -0.000 0.000 0.197 140 R C 0.808 176.952 176.300 -0.260 0.000 0.913 140 R CA 0.627 56.598 56.100 -0.214 0.000 1.040 140 R CB 0.268 30.485 30.300 -0.139 0.000 0.992 140 R HN 0.646 nan 8.270 nan 0.000 0.500 141 T N -5.072 109.328 114.554 -0.256 0.000 2.883 141 T HA 0.187 4.537 4.350 -0.000 0.000 0.296 141 T C 0.217 174.770 174.700 -0.246 0.000 1.117 141 T CA -0.930 61.021 62.100 -0.248 0.000 1.006 141 T CB 1.031 69.845 68.868 -0.090 0.000 1.191 141 T HN 0.165 nan 8.240 nan 0.000 0.508 142 W N 0.420 121.692 121.300 -0.046 0.000 2.402 142 W HA 0.018 4.677 4.660 -0.000 0.000 0.286 142 W C 1.811 178.365 176.519 0.057 0.000 1.221 142 W CA 0.634 57.964 57.345 -0.025 0.000 1.257 142 W CB -0.106 29.305 29.460 -0.083 0.000 1.120 142 W HN 0.740 nan 8.180 nan 0.000 0.551 143 D N 0.351 120.883 120.400 0.219 0.000 2.104 143 D HA -0.164 4.476 4.640 -0.000 0.000 0.194 143 D C 1.800 178.170 176.300 0.116 0.000 0.994 143 D CA 1.487 55.577 54.000 0.149 0.000 0.830 143 D CB -0.338 40.516 40.800 0.090 0.000 0.959 143 D HN 0.192 nan 8.370 nan 0.000 0.452 144 K N -0.268 120.171 120.400 0.064 0.000 2.097 144 K HA -0.099 4.220 4.320 -0.000 0.000 0.205 144 K C 2.104 178.718 176.600 0.023 0.000 1.050 144 K CA 0.454 56.751 56.287 0.016 0.000 0.938 144 K CB -0.276 32.199 32.500 -0.041 0.000 0.718 144 K HN 0.106 nan 8.250 nan 0.000 0.442 145 F N 1.966 121.852 119.950 -0.106 0.000 2.095 145 F HA -0.218 4.309 4.527 -0.000 0.000 0.298 145 F C 1.752 177.567 175.800 0.025 0.000 1.104 145 F CA 1.419 59.348 58.000 -0.118 0.000 1.232 145 F CB -0.110 38.834 39.000 -0.093 0.000 0.987 145 F HN -0.112 nan 8.300 nan 0.000 0.475 146 L N -0.190 121.218 121.223 0.309 0.000 2.093 146 L HA -0.169 4.171 4.340 -0.000 0.000 0.208 146 L C 2.808 179.701 176.870 0.038 0.000 1.085 146 L CA 1.028 55.986 54.840 0.197 0.000 0.755 146 L CB -1.140 41.059 42.059 0.233 0.000 0.904 146 L HN 0.271 nan 8.230 nan 0.000 0.435 147 A N -0.402 122.436 122.820 0.030 0.000 1.902 147 A HA -0.186 4.134 4.320 -0.000 0.000 0.217 147 A C 2.368 179.928 177.584 -0.040 0.000 1.181 147 A CA 2.285 54.321 52.037 -0.002 0.000 0.623 147 A CB -0.877 18.127 19.000 0.007 0.000 0.818 147 A HN 0.357 nan 8.150 nan 0.000 0.443 148 T N -0.791 113.719 114.554 -0.073 0.000 2.746 148 T HA -0.173 4.176 4.350 -0.000 0.000 0.267 148 T C 1.899 176.532 174.700 -0.112 0.000 1.039 148 T CA 1.569 63.623 62.100 -0.078 0.000 1.142 148 T CB -0.642 68.186 68.868 -0.068 0.000 0.866 148 T HN 0.566 nan 8.240 nan 0.000 0.444 149 C N 1.195 120.375 119.300 -0.199 0.000 2.425 149 C HA -0.057 4.403 4.460 -0.000 0.000 0.277 149 C C 2.878 177.796 174.990 -0.120 0.000 1.280 149 C CA 0.550 59.453 59.018 -0.191 0.000 1.744 149 C CB -1.072 26.513 27.740 -0.259 0.000 1.989 149 C HN 0.617 nan 8.230 nan 0.000 0.491 150 Q N 0.523 120.276 119.800 -0.078 0.000 2.050 150 Q HA -0.193 4.147 4.340 -0.000 0.000 0.202 150 Q C 2.101 178.062 176.000 -0.064 0.000 0.980 150 Q CA 2.192 57.964 55.803 -0.052 0.000 0.840 150 Q CB -0.204 28.520 28.738 -0.023 0.000 0.898 150 Q HN 0.635 nan 8.270 nan 0.000 0.424 151 T N 1.655 116.170 114.554 -0.064 0.000 2.635 151 T HA -0.188 4.162 4.350 -0.000 0.000 0.267 151 T C 1.839 176.474 174.700 -0.108 0.000 1.040 151 T CA 1.589 63.651 62.100 -0.064 0.000 1.156 151 T CB -0.330 68.511 68.868 -0.045 0.000 0.863 151 T HN 0.253 nan 8.240 nan 0.000 0.430 152 L N 0.384 121.505 121.223 -0.170 0.000 2.046 152 L HA -0.117 4.223 4.340 -0.000 0.000 0.208 152 L C 2.696 179.409 176.870 -0.262 0.000 1.077 152 L CA 1.425 56.081 54.840 -0.306 0.000 0.747 152 L CB -0.483 41.307 42.059 -0.448 0.000 0.896 152 L HN 0.231 nan 8.230 nan 0.000 0.432 153 K N -0.183 120.110 120.400 -0.178 0.000 2.097 153 K HA -0.217 4.103 4.320 -0.000 0.000 0.206 153 K C 2.109 178.653 176.600 -0.093 0.000 1.049 153 K CA 1.358 57.569 56.287 -0.126 0.000 0.933 153 K CB -0.155 32.296 32.500 -0.082 0.000 0.717 153 K HN 0.392 nan 8.250 nan 0.000 0.442 154 Q N 0.619 120.372 119.800 -0.079 0.000 2.291 154 Q HA -0.079 4.261 4.340 -0.000 0.000 0.205 154 Q C 1.146 177.116 176.000 -0.051 0.000 0.970 154 Q CA 1.029 56.801 55.803 -0.052 0.000 0.876 154 Q CB 0.175 28.890 28.738 -0.038 0.000 0.935 154 Q HN 0.200 nan 8.270 nan 0.000 0.455 155 K N -0.890 119.462 120.400 -0.079 0.000 2.444 155 K HA 0.098 4.418 4.320 -0.000 0.000 0.193 155 K C 0.732 177.294 176.600 -0.064 0.000 1.024 155 K CA 0.532 56.781 56.287 -0.063 0.000 1.077 155 K CB 0.650 33.102 32.500 -0.081 0.000 0.833 155 K HN 0.308 nan 8.250 nan 0.000 0.517 156 G N 1.556 110.310 108.800 -0.077 0.000 2.175 156 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.244 156 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.244 156 G C -0.211 174.638 174.900 -0.085 0.000 0.982 156 G CA -0.408 44.658 45.100 -0.057 0.000 0.641 156 G HN 0.215 nan 8.290 nan 0.000 0.527 157 L N 2.102 123.219 121.223 -0.177 0.000 2.401 157 L HA 0.469 4.808 4.340 -0.000 0.000 0.283 157 L C 1.565 178.343 176.870 -0.152 0.000 1.151 157 L CA 0.211 54.919 54.840 -0.219 0.000 0.942 157 L CB -0.051 41.717 42.059 -0.485 0.000 1.283 157 L HN 0.318 nan 8.230 nan 0.000 0.442 158 E N 3.441 123.591 120.200 -0.083 0.000 2.118 158 E HA -0.114 4.236 4.350 -0.000 0.000 0.195 158 E C 0.298 176.872 176.600 -0.043 0.000 0.992 158 E CA 1.203 57.572 56.400 -0.051 0.000 0.804 158 E CB 0.168 29.853 29.700 -0.024 0.000 0.741 158 E HN 0.701 nan 8.360 nan 0.000 0.458 159 A N 0.864 123.658 122.820 -0.044 0.000 3.082 159 A HA 0.330 4.650 4.320 -0.000 0.000 0.328 159 A C -2.223 175.348 177.584 -0.021 0.000 1.089 159 A CA -1.119 50.912 52.037 -0.011 0.000 0.802 159 A CB 0.640 19.651 19.000 0.018 0.000 1.138 159 A HN -0.123 nan 8.150 nan 0.000 0.474 160 P HA -0.081 nan 4.420 nan 0.000 0.219 160 P C 0.343 177.690 177.300 0.079 0.000 1.146 160 P CA 0.765 63.805 63.100 -0.099 0.000 0.808 160 P CB 0.181 31.801 31.700 -0.133 0.000 0.779 161 L N -0.468 120.871 121.223 0.193 0.000 2.272 161 L HA 0.608 4.948 4.340 -0.000 0.000 0.289 161 L C -0.290 176.719 176.870 0.232 0.000 1.032 161 L CA -1.273 53.774 54.840 0.345 0.000 0.810 161 L CB 0.566 42.905 42.059 0.467 0.000 1.205 161 L HN -0.182 nan 8.230 nan 0.000 0.422 162 A N 5.282 128.249 122.820 0.244 0.000 2.363 162 A HA 0.648 4.968 4.320 -0.000 0.000 0.270 162 A C -0.932 176.765 177.584 0.189 0.000 1.121 162 A CA -0.287 51.862 52.037 0.188 0.000 0.800 162 A CB 0.528 19.640 19.000 0.187 0.000 1.052 162 A HN 0.774 nan 8.150 nan 0.000 0.493 163 L N 1.662 122.965 121.223 0.133 0.000 2.518 163 L HA 0.801 5.141 4.340 -0.000 0.000 0.257 163 L C 0.268 177.173 176.870 0.058 0.000 0.980 163 L CA 0.477 55.382 54.840 0.108 0.000 0.837 163 L CB 1.956 44.083 42.059 0.113 0.000 1.410 163 L HN 0.927 nan 8.230 nan 0.000 0.410 164 G N 1.055 109.861 108.800 0.010 0.000 3.264 164 G HA2 0.415 4.375 3.960 -0.000 0.000 0.168 164 G HA3 0.415 4.375 3.960 -0.000 0.000 0.168 164 G C -0.856 174.004 174.900 -0.066 0.000 1.145 164 G CA -0.086 44.995 45.100 -0.031 0.000 0.855 164 G HN 0.779 nan 8.290 nan 0.000 0.629 165 E N 0.311 120.441 120.200 -0.116 0.000 2.428 165 E HA -0.018 4.332 4.350 -0.000 0.000 0.257 165 E C 0.927 177.468 176.600 -0.099 0.000 1.197 165 E CA -0.161 56.194 56.400 -0.076 0.000 0.974 165 E CB 0.596 30.287 29.700 -0.015 0.000 0.976 165 E HN 0.415 nan 8.360 nan 0.000 0.463 166 N N 1.397 120.111 118.700 0.023 0.000 2.073 166 N HA -0.241 4.499 4.740 -0.000 0.000 0.199 166 N C 1.694 177.289 175.510 0.141 0.000 1.023 166 N CA 2.515 55.621 53.050 0.093 0.000 0.880 166 N CB -0.427 38.128 38.487 0.114 0.000 1.052 166 N HN 0.873 nan 8.380 nan 0.000 0.449 167 W N 1.427 122.811 121.300 0.141 0.000 2.374 167 W HA -0.104 4.556 4.660 -0.000 0.000 0.288 167 W C 1.780 178.459 176.519 0.265 0.000 1.218 167 W CA 1.717 59.161 57.345 0.165 0.000 1.245 167 W CB -1.371 28.152 29.460 0.104 0.000 1.126 167 W HN 0.135 nan 8.180 nan 0.000 0.545 168 T N -0.553 113.616 114.554 -0.642 0.000 2.995 168 T HA -0.175 4.175 4.350 -0.000 0.000 0.269 168 T C 1.721 176.466 174.700 0.074 0.000 1.091 168 T CA 1.658 63.466 62.100 -0.486 0.000 1.128 168 T CB -0.469 68.052 68.868 -0.577 0.000 0.891 168 T HN 0.355 nan 8.240 nan 0.000 0.492 169 Q N 0.675 120.560 119.800 0.143 0.000 2.096 169 Q HA 0.002 4.342 4.340 -0.000 0.000 0.197 169 Q C 2.696 178.948 176.000 0.420 0.000 0.964 169 Q CA 1.167 57.170 55.803 0.334 0.000 0.838 169 Q CB -0.189 28.739 28.738 0.317 0.000 0.906 169 Q HN 0.655 nan 8.270 nan 0.000 0.444 170 Q N -0.215 119.798 119.800 0.355 0.000 2.135 170 Q HA -0.238 4.102 4.340 -0.000 0.000 0.204 170 Q C 1.822 178.106 176.000 0.473 0.000 0.981 170 Q CA 1.559 57.610 55.803 0.413 0.000 0.856 170 Q CB -0.213 28.795 28.738 0.451 0.000 0.902 170 Q HN 0.498 nan 8.270 nan 0.000 0.425 171 H N 0.440 119.747 119.070 0.395 0.000 2.321 171 H HA -0.150 4.406 4.556 -0.000 0.000 0.300 171 H C 1.961 177.477 175.328 0.313 0.000 1.087 171 H CA 1.454 57.747 56.048 0.409 0.000 1.319 171 H CB 0.007 30.069 29.762 0.500 0.000 1.379 171 H HN 0.184 nan 8.280 nan 0.000 0.501 172 L N -0.395 121.104 121.223 0.461 0.000 2.017 172 L HA -0.140 4.200 4.340 -0.000 0.000 0.208 172 L C 2.193 179.221 176.870 0.263 0.000 1.073 172 L CA 2.076 57.142 54.840 0.376 0.000 0.745 172 L CB -1.046 41.263 42.059 0.416 0.000 0.894 172 L HN 0.510 nan 8.230 nan 0.000 0.432 173 W N 1.343 122.659 121.300 0.027 0.000 2.321 173 W HA -0.285 4.375 4.660 -0.000 0.000 0.306 173 W C 2.530 178.908 176.519 -0.235 0.000 1.217 173 W CA 2.616 59.713 57.345 -0.413 0.000 1.257 173 W CB -0.173 28.795 29.460 -0.819 0.000 1.145 173 W HN 0.550 nan 8.180 nan 0.000 0.509 174 E N -0.903 119.355 120.200 0.096 0.000 2.150 174 E HA -0.188 4.162 4.350 -0.000 0.000 0.193 174 E C 2.067 178.380 176.600 -0.478 0.000 0.985 174 E CA 1.697 57.999 56.400 -0.164 0.000 0.814 174 E CB -0.863 28.878 29.700 0.069 0.000 0.752 174 E HN 0.132 nan 8.360 nan 0.000 0.466 175 S N 0.472 116.014 115.700 -0.263 0.000 2.368 175 S HA -0.106 4.364 4.470 -0.000 0.000 0.225 175 S C 2.068 176.595 174.600 -0.122 0.000 1.030 175 S CA 1.174 59.279 58.200 -0.160 0.000 0.999 175 S CB -0.153 63.081 63.200 0.057 0.000 0.844 175 S HN 0.204 nan 8.310 nan 0.000 0.459 176 V N 2.004 121.748 119.914 -0.284 0.000 2.261 176 V HA -0.224 3.895 4.120 -0.000 0.000 0.246 176 V C 2.641 178.413 176.094 -0.536 0.000 1.047 176 V CA 1.816 63.800 62.300 -0.526 0.000 1.015 176 V CB -1.248 30.124 31.823 -0.752 0.000 0.642 176 V HN 0.541 nan 8.190 nan 0.000 0.446 177 A N -0.177 122.144 122.820 -0.832 0.000 1.908 177 A HA -0.220 4.100 4.320 -0.000 0.000 0.218 177 A C 2.179 179.549 177.584 -0.355 0.000 1.181 177 A CA 2.212 53.808 52.037 -0.734 0.000 0.627 177 A CB -0.616 17.735 19.000 -1.082 0.000 0.818 177 A HN 0.469 nan 8.150 nan 0.000 0.445 178 L N -0.370 120.581 121.223 -0.453 0.000 2.046 178 L HA -0.033 4.306 4.340 -0.000 0.000 0.208 178 L C 2.612 179.386 176.870 -0.162 0.000 1.077 178 L CA 2.194 56.813 54.840 -0.369 0.000 0.747 178 L CB -0.751 40.959 42.059 -0.583 0.000 0.896 178 L HN 0.329 nan 8.230 nan 0.000 0.432 179 A N -1.273 121.493 122.820 -0.091 0.000 1.898 179 A HA -0.097 4.223 4.320 -0.000 0.000 0.216 179 A C 2.230 179.825 177.584 0.018 0.000 1.181 179 A CA 1.837 53.893 52.037 0.031 0.000 0.620 179 A CB -0.975 18.199 19.000 0.291 0.000 0.819 179 A HN 0.291 nan 8.150 nan 0.000 0.442 180 V N -0.197 119.694 119.914 -0.038 0.000 2.379 180 V HA -0.167 3.953 4.120 -0.000 0.000 0.245 180 V C 2.425 178.496 176.094 -0.039 0.000 1.044 180 V CA 1.793 64.065 62.300 -0.047 0.000 1.036 180 V CB -0.558 31.195 31.823 -0.117 0.000 0.664 180 V HN 0.538 nan 8.190 nan 0.000 0.453 181 L N -0.491 120.703 121.223 -0.048 0.000 2.307 181 L HA 0.382 4.722 4.340 -0.000 0.000 0.211 181 L C 1.252 178.127 176.870 0.008 0.000 1.099 181 L CA 0.718 55.548 54.840 -0.016 0.000 0.816 181 L CB -0.598 41.466 42.059 0.008 0.000 0.952 181 L HN 0.540 nan 8.230 nan 0.000 0.455 182 G N 0.316 109.119 108.800 0.006 0.000 2.819 182 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.682 182 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.682 182 G C -2.072 172.869 174.900 0.068 0.000 1.481 182 G CA -0.327 44.783 45.100 0.017 0.000 0.904 182 G HN 0.034 nan 8.290 nan 0.000 0.563 183 P HA -0.041 nan 4.420 nan 0.000 0.217 183 P C 1.097 178.500 177.300 0.171 0.000 1.150 183 P CA 1.727 64.908 63.100 0.135 0.000 0.832 183 P CB 0.083 31.836 31.700 0.088 0.000 0.787 184 D N 0.154 120.610 120.400 0.093 0.000 2.097 184 D HA -0.142 4.497 4.640 -0.000 0.000 0.195 184 D C 1.607 177.929 176.300 0.037 0.000 0.989 184 D CA 1.169 55.206 54.000 0.062 0.000 0.827 184 D CB -0.553 40.264 40.800 0.028 0.000 0.966 184 D HN 0.130 nan 8.370 nan 0.000 0.456 185 D N -0.079 120.336 120.400 0.025 0.000 2.183 185 D HA -0.105 4.535 4.640 -0.000 0.000 0.203 185 D C 1.827 178.088 176.300 -0.064 0.000 0.969 185 D CA 0.176 54.151 54.000 -0.041 0.000 0.842 185 D CB -0.294 40.477 40.800 -0.047 0.000 0.957 185 D HN 0.376 nan 8.370 nan 0.000 0.484 186 W N 2.144 123.371 121.300 -0.122 0.000 2.315 186 W HA -0.270 4.390 4.660 -0.000 0.000 0.323 186 W C 1.480 177.966 176.519 -0.055 0.000 1.233 186 W CA 1.205 58.496 57.345 -0.089 0.000 1.267 186 W CB -0.364 29.108 29.460 0.021 0.000 1.160 186 W HN -0.055 nan 8.180 nan 0.000 0.474 187 N N 0.920 119.654 118.700 0.057 0.000 2.137 187 N HA -0.203 4.537 4.740 -0.000 0.000 0.190 187 N C 1.146 176.549 175.510 -0.177 0.000 1.017 187 N CA 1.798 54.848 53.050 -0.001 0.000 0.859 187 N CB -1.060 37.492 38.487 0.107 0.000 1.002 187 N HN 0.243 nan 8.380 nan 0.000 0.428 188 N N 0.666 119.233 118.700 -0.222 0.000 2.381 188 N HA -0.005 4.735 4.740 -0.000 0.000 0.182 188 N C 1.755 176.976 175.510 -0.483 0.000 1.025 188 N CA 0.210 53.098 53.050 -0.269 0.000 0.888 188 N CB -0.193 38.178 38.487 -0.192 0.000 0.965 188 N HN 0.311 nan 8.380 nan 0.000 0.438 189 L N -0.974 119.748 121.223 -0.835 0.000 2.012 189 L HA -0.155 4.185 4.340 -0.000 0.000 0.210 189 L C 1.824 178.008 176.870 -1.143 0.000 1.073 189 L CA 1.443 55.483 54.840 -1.334 0.000 0.748 189 L CB -0.447 40.306 42.059 -2.176 0.000 0.891 189 L HN 0.261 nan 8.230 nan 0.000 0.431 190 W N 0.098 121.137 121.300 -0.435 0.000 2.658 190 W HA -0.050 4.610 4.660 -0.000 0.000 0.263 190 W C 2.033 178.419 176.519 -0.222 0.000 1.274 190 W CA 0.185 57.316 57.345 -0.356 0.000 1.343 190 W CB -0.369 28.854 29.460 -0.395 0.000 1.106 190 W HN 0.332 nan 8.180 nan 0.000 0.615 191 N N 0.084 118.739 118.700 -0.074 0.000 2.336 191 N HA 0.174 4.914 4.740 -0.000 0.000 0.189 191 N C 1.440 176.904 175.510 -0.077 0.000 1.113 191 N CA 0.793 53.815 53.050 -0.047 0.000 0.858 191 N CB -0.076 38.391 38.487 -0.034 0.000 0.970 191 N HN 0.096 nan 8.380 nan 0.000 0.471 192 G N 0.303 109.020 108.800 -0.139 0.000 2.179 192 G HA2 -0.377 3.583 3.960 -0.000 0.000 0.260 192 G HA3 -0.377 3.583 3.960 -0.000 0.000 0.260 192 G C 0.957 175.784 174.900 -0.122 0.000 0.977 192 G CA 0.596 45.627 45.100 -0.116 0.000 0.641 192 G HN 0.460 nan 8.290 nan 0.000 0.533 193 K N -1.094 119.222 120.400 -0.140 0.000 2.167 193 K HA 0.240 4.560 4.320 -0.000 0.000 0.203 193 K C 0.814 177.329 176.600 -0.142 0.000 1.052 193 K CA 0.662 56.880 56.287 -0.115 0.000 0.956 193 K CB 0.202 32.644 32.500 -0.096 0.000 0.735 193 K HN 0.347 nan 8.250 nan 0.000 0.451 194 L N 1.724 122.812 121.223 -0.225 0.000 2.296 194 L HA 0.214 4.554 4.340 -0.000 0.000 0.286 194 L C -0.842 175.841 176.870 -0.312 0.000 1.023 194 L CA -0.352 54.338 54.840 -0.249 0.000 0.812 194 L CB 1.238 43.116 42.059 -0.302 0.000 1.223 194 L HN -0.168 nan 8.230 nan 0.000 0.421 195 K N 4.078 124.366 120.400 -0.187 0.000 2.185 195 K HA 0.172 4.491 4.320 -0.000 0.000 0.271 195 K C 0.509 177.029 176.600 -0.133 0.000 1.013 195 K CA -0.113 56.108 56.287 -0.111 0.000 0.943 195 K CB 0.801 33.300 32.500 -0.000 0.000 0.998 195 K HN 0.515 nan 8.250 nan 0.000 0.468 196 F N 0.529 120.487 119.950 0.013 0.000 2.365 196 F HA -0.154 4.373 4.527 -0.000 0.000 0.300 196 F C 2.337 178.225 175.800 0.148 0.000 1.090 196 F CA 1.064 59.134 58.000 0.117 0.000 1.408 196 F CB -0.207 38.921 39.000 0.213 0.000 1.060 196 F HN 0.595 nan 8.300 nan 0.000 0.534 197 T N -3.364 111.334 114.554 0.239 0.000 3.148 197 T HA -0.063 4.287 4.350 -0.000 0.000 0.253 197 T C 0.609 175.372 174.700 0.105 0.000 1.134 197 T CA -0.172 62.025 62.100 0.161 0.000 1.051 197 T CB -0.415 68.523 68.868 0.116 0.000 0.959 197 T HN 0.100 nan 8.240 nan 0.000 0.525 198 D N 2.650 123.091 120.400 0.069 0.000 2.458 198 D HA 0.062 4.702 4.640 -0.000 0.000 0.243 198 D C -1.511 174.826 176.300 0.061 0.000 1.146 198 D CA -1.735 52.286 54.000 0.035 0.000 0.877 198 D CB 1.657 42.446 40.800 -0.018 0.000 1.176 198 D HN -0.011 nan 8.370 nan 0.000 0.461 199 P HA -0.185 nan 4.420 nan 0.000 0.217 199 P C 1.031 178.370 177.300 0.064 0.000 1.148 199 P CA 1.522 64.662 63.100 0.066 0.000 0.834 199 P CB 0.259 31.988 31.700 0.047 0.000 0.783 200 K N -0.717 119.703 120.400 0.035 0.000 2.026 200 K HA -0.090 4.230 4.320 -0.000 0.000 0.208 200 K C 2.126 178.743 176.600 0.028 0.000 1.048 200 K CA 1.661 57.959 56.287 0.018 0.000 0.929 200 K CB -0.603 31.890 32.500 -0.013 0.000 0.713 200 K HN 0.075 nan 8.250 nan 0.000 0.439 201 A N 0.772 123.617 122.820 0.041 0.000 2.016 201 A HA -0.035 4.284 4.320 -0.000 0.000 0.217 201 A C 2.257 180.002 177.584 0.269 0.000 1.162 201 A CA 0.760 52.851 52.037 0.089 0.000 0.662 201 A CB -0.253 18.768 19.000 0.036 0.000 0.812 201 A HN 0.053 nan 8.150 nan 0.000 0.450 202 V N 0.062 120.140 119.914 0.273 0.000 2.427 202 V HA -0.222 3.897 4.120 -0.000 0.000 0.248 202 V C 2.559 178.841 176.094 0.314 0.000 1.051 202 V CA 2.091 64.610 62.300 0.366 0.000 1.048 202 V CB -0.792 31.172 31.823 0.235 0.000 0.666 202 V HN 0.636 nan 8.190 nan 0.000 0.456 203 R N 0.236 120.843 120.500 0.178 0.000 2.127 203 R HA -0.190 4.150 4.340 -0.000 0.000 0.238 203 R C 2.320 178.663 176.300 0.071 0.000 1.134 203 R CA 1.539 57.711 56.100 0.119 0.000 0.975 203 R CB -0.410 29.929 30.300 0.065 0.000 0.865 203 R HN 0.511 nan 8.270 nan 0.000 0.447 204 A N 0.205 123.025 122.820 0.001 0.000 1.917 204 A HA -0.206 4.114 4.320 -0.000 0.000 0.219 204 A C 1.795 179.266 177.584 -0.187 0.000 1.182 204 A CA 1.516 53.425 52.037 -0.213 0.000 0.633 204 A CB -0.998 17.769 19.000 -0.388 0.000 0.819 204 A HN 0.581 nan 8.150 nan 0.000 0.448 205 W N -0.358 121.004 121.300 0.104 0.000 2.388 205 W HA -0.076 4.584 4.660 -0.000 0.000 0.294 205 W C 2.386 178.978 176.519 0.121 0.000 1.212 205 W CA 0.934 58.311 57.345 0.052 0.000 1.271 205 W CB -0.034 29.452 29.460 0.044 0.000 1.126 205 W HN 0.353 nan 8.180 nan 0.000 0.535 206 E N 0.547 120.963 120.200 0.360 0.000 2.051 206 E HA -0.179 4.171 4.350 -0.000 0.000 0.192 206 E C 2.046 178.754 176.600 0.181 0.000 0.991 206 E CA 1.535 58.107 56.400 0.286 0.000 0.799 206 E CB -0.356 29.468 29.700 0.207 0.000 0.748 206 E HN 0.124 nan 8.360 nan 0.000 0.449 207 V N 1.195 121.151 119.914 0.071 0.000 2.295 207 V HA -0.239 3.881 4.120 -0.000 0.000 0.246 207 V C 2.296 178.335 176.094 -0.092 0.000 1.049 207 V CA 1.879 64.152 62.300 -0.044 0.000 1.024 207 V CB -0.752 30.974 31.823 -0.160 0.000 0.648 207 V HN 0.260 nan 8.190 nan 0.000 0.447 208 F N 2.138 121.935 119.950 -0.255 0.000 2.120 208 F HA -0.186 4.341 4.527 -0.000 0.000 0.300 208 F C 2.156 177.972 175.800 0.026 0.000 1.095 208 F CA 1.883 59.739 58.000 -0.240 0.000 1.249 208 F CB -0.914 37.932 39.000 -0.256 0.000 0.995 208 F HN 0.147 nan 8.300 nan 0.000 0.480 209 G N -0.014 108.915 108.800 0.214 0.000 2.422 209 G HA2 -0.232 3.727 3.960 -0.000 0.000 0.218 209 G HA3 -0.232 3.727 3.960 -0.000 0.000 0.218 209 G C 1.828 176.780 174.900 0.087 0.000 1.146 209 G CA 0.710 46.011 45.100 0.335 0.000 0.769 209 G HN 0.346 nan 8.290 nan 0.000 0.547 210 R N -0.238 120.302 120.500 0.067 0.000 2.081 210 R HA -0.019 4.320 4.340 -0.000 0.000 0.235 210 R C 2.663 178.983 176.300 0.033 0.000 1.131 210 R CA 1.171 57.303 56.100 0.052 0.000 0.960 210 R CB -0.624 29.717 30.300 0.069 0.000 0.856 210 R HN 0.292 nan 8.270 nan 0.000 0.436 211 V N 1.410 121.288 119.914 -0.061 0.000 2.343 211 V HA -0.229 3.891 4.120 -0.000 0.000 0.247 211 V C 2.198 178.263 176.094 -0.049 0.000 1.051 211 V CA 1.453 63.723 62.300 -0.049 0.000 1.036 211 V CB -0.422 31.156 31.823 -0.408 0.000 0.654 211 V HN 0.210 nan 8.190 nan 0.000 0.451 212 L N 0.056 121.142 121.223 -0.229 0.000 2.131 212 L HA -0.131 4.209 4.340 -0.000 0.000 0.210 212 L C 1.825 178.673 176.870 -0.037 0.000 1.092 212 L CA 1.819 56.539 54.840 -0.200 0.000 0.759 212 L CB -0.774 41.081 42.059 -0.338 0.000 0.903 212 L HN 0.297 nan 8.230 nan 0.000 0.435 213 D N -1.910 118.488 120.400 -0.003 0.000 2.378 213 D HA -0.053 4.587 4.640 -0.000 0.000 0.227 213 D C 1.658 177.986 176.300 0.047 0.000 1.012 213 D CA 0.521 54.535 54.000 0.023 0.000 0.905 213 D CB -0.064 40.751 40.800 0.026 0.000 0.895 213 D HN 0.397 nan 8.370 nan 0.000 0.532 214 C N 0.398 119.750 119.300 0.088 0.000 2.791 214 C HA 0.556 5.015 4.460 -0.000 0.000 0.270 214 C C 1.253 176.312 174.990 0.114 0.000 1.257 214 C CA -0.810 58.276 59.018 0.112 0.000 1.699 214 C CB -1.048 26.816 27.740 0.208 0.000 1.904 214 C HN 0.213 nan 8.230 nan 0.000 0.603 215 A N 2.362 125.239 122.820 0.094 0.000 2.269 215 A HA 0.543 4.863 4.320 -0.000 0.000 0.319 215 A C 0.139 177.761 177.584 0.064 0.000 1.110 215 A CA -0.448 51.648 52.037 0.097 0.000 0.847 215 A CB 0.352 19.404 19.000 0.086 0.000 1.161 215 A HN 0.592 nan 8.150 nan 0.000 0.497 216 N N 1.180 119.919 118.700 0.066 0.000 2.458 216 N HA 0.003 4.743 4.740 -0.000 0.000 0.258 216 N C -0.103 175.430 175.510 0.038 0.000 1.219 216 N CA -0.245 52.833 53.050 0.046 0.000 0.902 216 N CB 0.862 39.379 38.487 0.049 0.000 1.076 216 N HN 0.487 nan 8.380 nan 0.000 0.455 217 K N 0.709 121.125 120.400 0.027 0.000 2.432 217 K HA -0.083 4.237 4.320 -0.000 0.000 0.196 217 K C 0.486 177.099 176.600 0.021 0.000 1.038 217 K CA 0.701 57.000 56.287 0.021 0.000 0.986 217 K CB -0.183 32.325 32.500 0.013 0.000 0.782 217 K HN 0.746 nan 8.250 nan 0.000 0.485 218 D N -0.304 120.110 120.400 0.023 0.000 2.358 218 D HA 0.095 4.735 4.640 -0.000 0.000 0.224 218 D C 1.253 177.566 176.300 0.023 0.000 1.123 218 D CA 0.093 54.105 54.000 0.020 0.000 0.833 218 D CB 0.143 40.953 40.800 0.018 0.000 0.946 218 D HN -0.077 nan 8.370 nan 0.000 0.505 219 A N 1.270 124.107 122.820 0.029 0.000 1.917 219 A HA -0.080 4.240 4.320 -0.000 0.000 0.219 219 A C 2.431 180.028 177.584 0.021 0.000 1.182 219 A CA 2.159 54.215 52.037 0.031 0.000 0.633 219 A CB -0.928 18.099 19.000 0.044 0.000 0.819 219 A HN 0.398 nan 8.150 nan 0.000 0.448 220 A N -0.914 121.921 122.820 0.025 0.000 1.986 220 A HA 0.057 4.376 4.320 -0.000 0.000 0.220 220 A C 2.194 179.790 177.584 0.020 0.000 1.171 220 A CA 1.964 54.016 52.037 0.025 0.000 0.640 220 A CB -1.053 17.963 19.000 0.026 0.000 0.811 220 A HN 0.902 nan 8.150 nan 0.000 0.451 221 G N -1.487 107.323 108.800 0.016 0.000 3.088 221 G HA2 0.416 4.376 3.960 -0.000 0.000 0.217 221 G HA3 0.416 4.376 3.960 -0.000 0.000 0.217 221 G C 0.351 175.256 174.900 0.009 0.000 1.159 221 G CA -0.286 44.823 45.100 0.014 0.000 0.760 221 G HN 0.358 nan 8.290 nan 0.000 0.550 222 L N 1.921 123.146 121.223 0.003 0.000 2.322 222 L HA 0.403 4.743 4.340 -0.000 0.000 0.279 222 L C 0.855 177.716 176.870 -0.014 0.000 1.036 222 L CA -0.821 54.014 54.840 -0.008 0.000 0.807 222 L CB 1.807 43.863 42.059 -0.005 0.000 1.226 222 L HN 0.144 nan 8.230 nan 0.000 0.433 223 S N 1.568 117.247 115.700 -0.035 0.000 2.608 223 S HA 0.038 4.508 4.470 -0.000 0.000 0.261 223 S C 1.182 175.759 174.600 -0.037 0.000 1.314 223 S CA -0.688 57.490 58.200 -0.037 0.000 0.992 223 S CB 0.568 63.677 63.200 -0.153 0.000 0.935 223 S HN 0.884 nan 8.310 nan 0.000 0.564 224 W N 0.956 122.269 121.300 0.021 0.000 2.342 224 W HA -0.188 4.472 4.660 -0.000 0.000 0.297 224 W C 1.183 177.668 176.519 -0.056 0.000 1.213 224 W CA 1.244 58.588 57.345 -0.001 0.000 1.251 224 W CB -1.160 28.433 29.460 0.222 0.000 1.136 224 W HN 0.657 nan 8.180 nan 0.000 0.526 225 Q N 1.069 120.303 119.800 -0.943 0.000 2.079 225 Q HA -0.178 4.162 4.340 -0.000 0.000 0.200 225 Q C 2.458 178.197 176.000 -0.435 0.000 0.974 225 Q CA 2.371 57.493 55.803 -1.135 0.000 0.840 225 Q CB -0.708 27.113 28.738 -1.528 0.000 0.898 225 Q HN 0.458 nan 8.270 nan 0.000 0.430 226 Q N -0.337 119.298 119.800 -0.275 0.000 2.167 226 Q HA -0.088 4.251 4.340 -0.000 0.000 0.202 226 Q C 2.040 178.028 176.000 -0.020 0.000 0.970 226 Q CA 1.164 56.905 55.803 -0.104 0.000 0.855 226 Q CB -0.174 28.518 28.738 -0.077 0.000 0.911 226 Q HN 0.434 nan 8.270 nan 0.000 0.438 227 A N 0.267 123.089 122.820 0.004 0.000 1.898 227 A HA -0.116 4.204 4.320 -0.000 0.000 0.216 227 A C 2.298 179.949 177.584 0.112 0.000 1.181 227 A CA 1.113 53.194 52.037 0.074 0.000 0.620 227 A CB -0.589 18.470 19.000 0.097 0.000 0.819 227 A HN 0.205 nan 8.150 nan 0.000 0.442 228 V N 0.817 120.801 119.914 0.116 0.000 2.407 228 V HA -0.248 3.871 4.120 -0.000 0.000 0.248 228 V C 2.049 178.226 176.094 0.138 0.000 1.055 228 V CA 2.262 64.649 62.300 0.145 0.000 1.049 228 V CB -0.825 31.103 31.823 0.175 0.000 0.662 228 V HN 0.487 nan 8.190 nan 0.000 0.455 229 D N -0.158 120.314 120.400 0.120 0.000 2.178 229 D HA -0.137 4.503 4.640 -0.000 0.000 0.201 229 D C 2.391 178.743 176.300 0.087 0.000 0.980 229 D CA 0.990 55.054 54.000 0.106 0.000 0.842 229 D CB -0.244 40.603 40.800 0.079 0.000 0.948 229 D HN 0.406 nan 8.370 nan 0.000 0.472 230 R N 0.228 120.782 120.500 0.090 0.000 2.081 230 R HA -0.080 4.260 4.340 -0.000 0.000 0.235 230 R C 2.337 178.710 176.300 0.121 0.000 1.131 230 R CA 0.747 56.904 56.100 0.096 0.000 0.960 230 R CB -0.310 30.047 30.300 0.095 0.000 0.856 230 R HN 0.114 nan 8.270 nan 0.000 0.436 231 V N 0.347 120.347 119.914 0.144 0.000 2.307 231 V HA -0.189 3.930 4.120 -0.000 0.000 0.245 231 V C 2.363 178.542 176.094 0.140 0.000 1.045 231 V CA 1.463 63.865 62.300 0.171 0.000 1.024 231 V CB -0.321 31.635 31.823 0.223 0.000 0.651 231 V HN 0.106 nan 8.190 nan 0.000 0.449 232 V N -0.221 119.757 119.914 0.106 0.000 2.332 232 V HA -0.320 3.800 4.120 -0.000 0.000 0.248 232 V C 2.194 178.324 176.094 0.060 0.000 1.055 232 V CA 2.060 64.401 62.300 0.068 0.000 1.038 232 V CB -0.697 31.143 31.823 0.029 0.000 0.651 232 V HN 0.616 nan 8.190 nan 0.000 0.450 233 Q N -0.635 119.205 119.800 0.068 0.000 2.320 233 Q HA 0.275 4.615 4.340 -0.000 0.000 0.201 233 Q C 1.556 177.604 176.000 0.078 0.000 0.910 233 Q CA 0.540 56.378 55.803 0.059 0.000 0.946 233 Q CB 0.549 29.319 28.738 0.054 0.000 1.062 233 Q HN 0.742 nan 8.270 nan 0.000 0.503 234 G N 1.631 110.497 108.800 0.110 0.000 2.153 234 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.252 234 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.252 234 G C 0.626 175.666 174.900 0.233 0.000 0.994 234 G CA 0.508 45.713 45.100 0.175 0.000 0.698 234 G HN 0.335 nan 8.290 nan 0.000 0.521 235 K N -0.171 120.323 120.400 0.158 0.000 2.404 235 K HA 0.556 4.876 4.320 -0.000 0.000 0.194 235 K C 0.861 177.517 176.600 0.092 0.000 1.023 235 K CA 0.812 57.168 56.287 0.116 0.000 1.094 235 K CB 0.546 33.095 32.500 0.082 0.000 0.841 235 K HN 0.875 nan 8.250 nan 0.000 0.523 236 A N -0.380 122.515 122.820 0.125 0.000 2.608 236 A HA 0.650 4.969 4.320 -0.000 0.000 0.292 236 A C -0.351 177.280 177.584 0.078 0.000 1.066 236 A CA -0.367 51.709 52.037 0.065 0.000 0.676 236 A CB 1.105 20.170 19.000 0.109 0.000 1.277 236 A HN -0.004 nan 8.150 nan 0.000 0.413 237 A N -0.073 122.660 122.820 -0.146 0.000 1.973 237 A HA 0.692 5.011 4.320 -0.000 0.000 0.210 237 A C 0.071 177.336 177.584 -0.532 0.000 1.200 237 A CA 0.922 52.706 52.037 -0.422 0.000 0.707 237 A CB -0.024 18.331 19.000 -1.076 0.000 0.862 237 A HN 0.874 nan 8.150 nan 0.000 0.461 238 F N -1.486 118.638 119.950 0.291 0.000 2.599 238 F HA 0.616 5.143 4.527 -0.000 0.000 0.311 238 F C -0.363 175.658 175.800 0.368 0.000 1.076 238 F CA -1.440 56.783 58.000 0.371 0.000 0.937 238 F CB 1.535 40.789 39.000 0.423 0.000 1.282 238 F HN 0.068 nan 8.300 nan 0.000 0.460 239 N N 0.782 119.842 118.700 0.600 0.000 2.287 239 N HA 0.553 5.293 4.740 -0.000 0.000 0.289 239 N C -2.086 173.716 175.510 0.487 0.000 1.066 239 N CA -0.434 52.910 53.050 0.490 0.000 0.841 239 N CB 1.475 40.219 38.487 0.429 0.000 1.599 239 N HN 0.430 nan 8.380 nan 0.000 0.476 240 I N 3.069 123.870 120.570 0.384 0.000 2.312 240 I HA 0.538 4.708 4.170 -0.000 0.000 0.290 240 I C -0.391 175.919 176.117 0.322 0.000 1.008 240 I CA -0.408 61.084 61.300 0.320 0.000 1.226 240 I CB 0.445 38.631 38.000 0.310 0.000 1.371 240 I HN 0.675 nan 8.210 nan 0.000 0.468 241 M N 4.812 124.593 119.600 0.302 0.000 2.562 241 M HA 0.596 5.076 4.480 -0.000 0.000 0.281 241 M C -0.494 175.719 176.300 -0.144 0.000 1.195 241 M CA -0.311 54.965 55.300 -0.039 0.000 0.888 241 M CB 1.915 34.511 32.600 -0.007 0.000 1.731 241 M HN 0.528 nan 8.290 nan 0.000 0.493 242 G N 1.020 109.251 108.800 -0.947 0.000 2.664 242 G HA2 0.298 4.258 3.960 -0.000 0.000 0.242 242 G HA3 0.298 4.258 3.960 -0.000 0.000 0.242 242 G C 0.021 174.085 174.900 -1.392 0.000 1.225 242 G CA 0.145 44.344 45.100 -1.501 0.000 0.849 242 G HN 0.920 nan 8.290 nan 0.000 0.581 243 D N -1.294 118.713 120.400 -0.655 0.000 2.363 243 D HA -0.101 4.539 4.640 -0.000 0.000 0.226 243 D C 1.687 177.846 176.300 -0.236 0.000 1.020 243 D CA 0.368 54.238 54.000 -0.218 0.000 0.892 243 D CB -0.496 40.348 40.800 0.073 0.000 0.900 243 D HN 0.730 nan 8.370 nan 0.000 0.531 244 W N 0.772 121.934 121.300 -0.230 0.000 2.359 244 W HA 0.027 4.687 4.660 -0.000 0.000 0.275 244 W C 1.995 178.311 176.519 -0.337 0.000 1.217 244 W CA 0.847 58.020 57.345 -0.287 0.000 1.196 244 W CB -0.878 28.235 29.460 -0.578 0.000 1.129 244 W HN 0.051 nan 8.180 nan 0.000 0.566 245 A N 1.537 123.943 122.820 -0.690 0.000 1.933 245 A HA 0.051 4.371 4.320 -0.000 0.000 0.218 245 A C 2.310 179.418 177.584 -0.793 0.000 1.175 245 A CA 2.534 54.181 52.037 -0.651 0.000 0.628 245 A CB -1.205 17.006 19.000 -1.315 0.000 0.814 245 A HN 0.435 nan 8.150 nan 0.000 0.444 246 A N -0.410 121.827 122.820 -0.971 0.000 1.873 246 A HA 0.160 4.480 4.320 -0.000 0.000 0.215 246 A C 2.431 179.853 177.584 -0.271 0.000 1.186 246 A CA 1.815 53.427 52.037 -0.708 0.000 0.616 246 A CB -1.416 17.171 19.000 -0.688 0.000 0.823 246 A HN 0.723 nan 8.150 nan 0.000 0.442 247 G N -1.606 107.135 108.800 -0.099 0.000 2.442 247 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.219 247 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.219 247 G C 1.547 176.498 174.900 0.085 0.000 1.141 247 G CA 1.358 46.483 45.100 0.041 0.000 0.763 247 G HN 0.589 nan 8.290 nan 0.000 0.554 248 Y N 0.936 121.241 120.300 0.007 0.000 2.181 248 Y HA -0.017 4.533 4.550 -0.000 0.000 0.288 248 Y C 2.790 178.622 175.900 -0.114 0.000 1.146 248 Y CA 1.704 59.815 58.100 0.019 0.000 1.164 248 Y CB -0.189 38.368 38.460 0.162 0.000 0.982 248 Y HN 0.160 nan 8.280 nan 0.000 0.515 249 M N -0.575 118.798 119.600 -0.379 0.000 2.254 249 M HA -0.129 4.351 4.480 -0.000 0.000 0.265 249 M C 1.953 178.091 176.300 -0.270 0.000 1.066 249 M CA 1.994 56.959 55.300 -0.559 0.000 1.123 249 M CB -0.331 31.652 32.600 -1.028 0.000 1.388 249 M HN 0.489 nan 8.290 nan 0.000 0.425 250 T N -3.640 110.849 114.554 -0.109 0.000 2.904 250 T HA 0.023 4.373 4.350 -0.000 0.000 0.243 250 T C 1.749 176.440 174.700 -0.015 0.000 1.024 250 T CA 1.274 63.396 62.100 0.036 0.000 1.158 250 T CB -0.716 68.226 68.868 0.123 0.000 0.867 250 T HN 0.132 nan 8.240 nan 0.000 0.429 251 T N 1.908 116.452 114.554 -0.017 0.000 2.777 251 T HA -0.031 4.318 4.350 -0.000 0.000 0.266 251 T C 2.089 176.770 174.700 -0.032 0.000 1.040 251 T CA 1.872 63.967 62.100 -0.009 0.000 1.141 251 T CB -0.642 68.236 68.868 0.016 0.000 0.868 251 T HN 0.490 nan 8.240 nan 0.000 0.444 252 T N 1.476 115.981 114.554 -0.081 0.000 2.988 252 T HA 0.280 4.630 4.350 -0.000 0.000 0.240 252 T C 1.762 176.348 174.700 -0.190 0.000 1.014 252 T CA 0.361 62.394 62.100 -0.111 0.000 1.155 252 T CB -0.103 68.726 68.868 -0.066 0.000 0.872 252 T HN 0.186 nan 8.240 nan 0.000 0.440 253 L N 0.732 121.760 121.223 -0.326 0.000 2.591 253 L HA 0.195 4.534 4.340 -0.000 0.000 0.228 253 L C 0.339 177.130 176.870 -0.132 0.000 1.133 253 L CA 0.133 54.806 54.840 -0.277 0.000 0.880 253 L CB -0.190 41.614 42.059 -0.425 0.000 1.033 253 L HN 0.162 nan 8.230 nan 0.000 0.450 254 K N 0.248 120.598 120.400 -0.084 0.000 3.069 254 K HA -0.169 4.150 4.320 -0.000 0.000 0.267 254 K C -0.210 176.408 176.600 0.031 0.000 1.082 254 K CA 0.755 57.033 56.287 -0.015 0.000 0.782 254 K CB -2.454 30.036 32.500 -0.016 0.000 1.230 254 K HN 0.351 nan 8.250 nan 0.000 0.488 255 L N 1.195 122.460 121.223 0.070 0.000 2.350 255 L HA 0.201 4.541 4.340 -0.000 0.000 0.275 255 L C 0.946 177.977 176.870 0.268 0.000 1.099 255 L CA -0.663 54.288 54.840 0.185 0.000 0.808 255 L CB 0.574 42.794 42.059 0.269 0.000 1.149 255 L HN -0.189 nan 8.230 nan 0.000 0.442 256 K N 3.113 123.613 120.400 0.167 0.000 2.312 256 K HA 0.310 4.629 4.320 -0.000 0.000 0.287 256 K C -2.384 174.163 176.600 -0.087 0.000 1.062 256 K CA -2.172 54.160 56.287 0.075 0.000 0.934 256 K CB 0.594 33.114 32.500 0.034 0.000 1.027 256 K HN 0.179 nan 8.250 nan 0.000 0.478 257 P HA 0.072 nan 4.420 nan 0.000 0.271 257 P C 0.850 178.052 177.300 -0.164 0.000 1.220 257 P CA 0.406 63.224 63.100 -0.470 0.000 0.768 257 P CB 0.767 32.453 31.700 -0.022 0.000 0.848 258 G N 2.372 110.990 108.800 -0.304 0.000 2.284 258 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.230 258 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.230 258 G C 0.995 175.762 174.900 -0.223 0.000 1.021 258 G CA 0.698 45.607 45.100 -0.318 0.000 0.619 258 G HN 0.477 nan 8.290 nan 0.000 0.510 259 T N 0.098 114.558 114.554 -0.157 0.000 3.053 259 T HA 0.180 4.530 4.350 -0.000 0.000 0.236 259 T C 1.590 176.267 174.700 -0.037 0.000 0.996 259 T CA 1.299 63.352 62.100 -0.078 0.000 1.185 259 T CB -0.090 68.755 68.868 -0.039 0.000 0.892 259 T HN 0.166 nan 8.240 nan 0.000 0.432 260 D N 0.870 121.268 120.400 -0.003 0.000 2.289 260 D HA 0.198 4.837 4.640 -0.000 0.000 0.207 260 D C 0.182 176.633 176.300 0.251 0.000 0.966 260 D CA 0.521 54.588 54.000 0.111 0.000 0.868 260 D CB 0.202 41.102 40.800 0.167 0.000 0.943 260 D HN 0.503 nan 8.370 nan 0.000 0.514 261 F N -1.522 118.473 119.950 0.074 0.000 2.741 261 F HA 0.732 5.259 4.527 -0.000 0.000 0.313 261 F C -1.391 174.447 175.800 0.063 0.000 1.153 261 F CA -1.462 56.588 58.000 0.084 0.000 0.931 261 F CB 1.031 40.124 39.000 0.155 0.000 1.335 261 F HN -0.184 nan 8.300 nan 0.000 0.460 262 A N 0.416 123.244 122.820 0.014 0.000 2.533 262 A HA 0.927 5.246 4.320 -0.000 0.000 0.293 262 A C -2.346 175.107 177.584 -0.219 0.000 1.228 262 A CA -0.470 51.307 52.037 -0.432 0.000 0.689 262 A CB 1.218 19.720 19.000 -0.830 0.000 1.303 262 A HN 1.501 nan 8.150 nan 0.000 0.444 263 W N -2.566 118.545 121.300 -0.314 0.000 3.137 263 W HA 0.838 5.497 4.660 -0.000 0.000 0.324 263 W C -0.581 175.947 176.519 0.015 0.000 1.253 263 W CA -0.383 56.837 57.345 -0.209 0.000 1.183 263 W CB 1.117 30.429 29.460 -0.248 0.000 1.424 263 W HN 1.445 nan 8.180 nan 0.000 0.566 264 A N 1.492 124.419 122.820 0.179 0.000 2.593 264 A HA 0.912 5.232 4.320 -0.000 0.000 0.290 264 A C -2.971 174.597 177.584 -0.026 0.000 1.126 264 A CA -1.937 50.159 52.037 0.100 0.000 0.695 264 A CB 0.987 20.037 19.000 0.083 0.000 1.290 264 A HN 0.405 nan 8.150 nan 0.000 0.414 265 P HA 0.154 nan 4.420 nan 0.000 0.267 265 P C -0.083 177.101 177.300 -0.193 0.000 1.201 265 P CA 0.246 63.272 63.100 -0.124 0.000 0.775 265 P CB 0.397 32.036 31.700 -0.102 0.000 0.854 266 S N 3.426 118.997 115.700 -0.215 0.000 2.558 266 S HA 0.069 4.539 4.470 -0.000 0.000 0.288 266 S C -2.077 172.249 174.600 -0.456 0.000 1.318 266 S CA -0.506 57.525 58.200 -0.282 0.000 1.056 266 S CB -0.861 62.256 63.200 -0.138 0.000 0.853 266 S HN 0.367 nan 8.310 nan 0.000 0.505 267 P HA 0.063 nan 4.420 nan 0.000 0.261 267 P C 0.919 177.706 177.300 -0.855 0.000 1.173 267 P CA 1.263 63.752 63.100 -1.019 0.000 0.760 267 P CB -0.011 30.640 31.700 -1.748 0.000 0.783 268 G N 2.432 110.957 108.800 -0.459 0.000 2.159 268 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.256 268 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.256 268 G C 0.606 175.418 174.900 -0.147 0.000 0.977 268 G CA 0.574 45.533 45.100 -0.235 0.000 0.652 268 G HN 0.697 nan 8.290 nan 0.000 0.531 269 T N -2.301 112.149 114.554 -0.173 0.000 3.145 269 T HA 0.482 4.831 4.350 -0.000 0.000 0.281 269 T C 0.618 175.261 174.700 -0.094 0.000 1.003 269 T CA 0.391 62.417 62.100 -0.123 0.000 0.901 269 T CB 0.540 69.323 68.868 -0.142 0.000 1.112 269 T HN 0.293 nan 8.240 nan 0.000 0.535 270 Q N 1.353 121.096 119.800 -0.095 0.000 2.304 270 Q HA 0.454 4.793 4.340 -0.000 0.000 0.301 270 Q C 1.543 177.527 176.000 -0.026 0.000 1.063 270 Q CA 1.820 57.588 55.803 -0.058 0.000 0.947 270 Q CB -0.160 28.541 28.738 -0.062 0.000 1.201 270 Q HN 0.605 nan 8.270 nan 0.000 0.389 271 G N 0.585 109.388 108.800 0.004 0.000 2.199 271 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.254 271 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.254 271 G C -0.181 174.746 174.900 0.045 0.000 0.982 271 G CA 0.032 45.147 45.100 0.024 0.000 0.632 271 G HN 0.513 nan 8.290 nan 0.000 0.529 272 V N 0.393 120.333 119.914 0.044 0.000 2.540 272 V HA 0.679 4.799 4.120 -0.000 0.000 0.302 272 V C -0.561 175.610 176.094 0.129 0.000 1.035 272 V CA -0.824 61.519 62.300 0.073 0.000 0.873 272 V CB 1.947 33.776 31.823 0.010 0.000 0.992 272 V HN 0.352 nan 8.190 nan 0.000 0.428 273 F N 5.691 125.667 119.950 0.043 0.000 2.347 273 F HA 0.579 5.106 4.527 -0.000 0.000 0.366 273 F C 0.167 176.027 175.800 0.100 0.000 1.107 273 F CA -0.644 57.414 58.000 0.097 0.000 1.058 273 F CB 1.257 40.374 39.000 0.196 0.000 1.236 273 F HN 0.530 nan 8.300 nan 0.000 0.456 274 M N 9.300 128.967 119.600 0.111 0.000 2.135 274 M HA 0.307 4.787 4.480 -0.000 0.000 0.345 274 M C -0.952 175.486 176.300 0.231 0.000 1.340 274 M CA -0.738 54.631 55.300 0.115 0.000 1.162 274 M CB 0.490 33.025 32.600 -0.108 0.000 1.570 274 M HN 0.741 nan 8.290 nan 0.000 0.454 275 M N 5.806 125.657 119.600 0.419 0.000 2.471 275 M HA 0.834 5.314 4.480 -0.000 0.000 0.309 275 M C -1.368 175.100 176.300 0.280 0.000 1.186 275 M CA -0.484 55.089 55.300 0.455 0.000 1.008 275 M CB 1.193 34.119 32.600 0.544 0.000 1.551 275 M HN 0.637 nan 8.290 nan 0.000 0.477 276 L N -1.592 119.784 121.223 0.255 0.000 2.479 276 L HA 0.970 5.310 4.340 -0.000 0.000 0.255 276 L C -0.789 176.203 176.870 0.203 0.000 1.026 276 L CA -0.737 54.225 54.840 0.204 0.000 0.842 276 L CB 1.954 44.126 42.059 0.188 0.000 1.444 276 L HN 0.885 nan 8.230 nan 0.000 0.409 277 S N -0.160 115.662 115.700 0.204 0.000 2.619 277 S HA 0.497 4.967 4.470 -0.000 0.000 0.280 277 S C -1.503 173.232 174.600 0.224 0.000 1.150 277 S CA -0.656 57.638 58.200 0.157 0.000 0.978 277 S CB 1.190 64.424 63.200 0.058 0.000 1.041 277 S HN 0.757 nan 8.310 nan 0.000 0.485 278 D N 3.120 123.640 120.400 0.200 0.000 2.351 278 D HA 0.434 5.073 4.640 -0.000 0.000 0.251 278 D C 0.071 176.348 176.300 -0.040 0.000 1.137 278 D CA 0.335 54.380 54.000 0.076 0.000 0.879 278 D CB 1.551 42.479 40.800 0.214 0.000 1.181 278 D HN 0.595 nan 8.370 nan 0.000 0.448 279 S N 0.829 116.413 115.700 -0.194 0.000 2.627 279 S HA 0.714 5.183 4.470 -0.000 0.000 0.283 279 S C -1.039 173.324 174.600 -0.396 0.000 1.127 279 S CA -0.921 57.177 58.200 -0.171 0.000 0.863 279 S CB 1.251 64.412 63.200 -0.065 0.000 1.121 279 S HN 0.225 nan 8.310 nan 0.000 0.479 280 F N 0.489 120.422 119.950 -0.029 0.000 2.482 280 F HA 0.769 5.296 4.527 -0.000 0.000 0.331 280 F C 0.931 176.687 175.800 -0.074 0.000 1.115 280 F CA -0.066 57.907 58.000 -0.045 0.000 0.955 280 F CB 2.302 41.386 39.000 0.141 0.000 1.136 280 F HN 1.041 nan 8.300 nan 0.000 0.452 281 G N 1.478 110.236 108.800 -0.070 0.000 3.016 281 G HA2 0.619 4.579 3.960 -0.000 0.000 0.270 281 G HA3 0.619 4.579 3.960 -0.000 0.000 0.270 281 G C -2.086 172.783 174.900 -0.052 0.000 1.352 281 G CA -0.754 44.318 45.100 -0.046 0.000 1.060 281 G HN 0.496 nan 8.290 nan 0.000 0.538 282 L N 1.505 122.737 121.223 0.014 0.000 2.353 282 L HA 0.512 4.851 4.340 -0.000 0.000 0.270 282 L C -2.320 174.578 176.870 0.046 0.000 1.003 282 L CA -2.313 52.550 54.840 0.038 0.000 0.862 282 L CB 1.619 43.735 42.059 0.094 0.000 1.221 282 L HN 0.155 nan 8.230 nan 0.000 0.430 283 P HA 0.101 nan 4.420 nan 0.000 0.271 283 P C -0.869 176.481 177.300 0.084 0.000 1.216 283 P CA -0.141 63.008 63.100 0.082 0.000 0.776 283 P CB 0.422 32.192 31.700 0.118 0.000 0.881 284 K N 1.615 122.078 120.400 0.104 0.000 2.489 284 K HA 0.221 4.541 4.320 -0.000 0.000 0.278 284 K C 1.324 177.960 176.600 0.061 0.000 1.000 284 K CA 1.020 57.360 56.287 0.088 0.000 1.012 284 K CB -0.464 32.097 32.500 0.101 0.000 0.903 284 K HN 0.847 nan 8.250 nan 0.000 0.485 285 G N 1.102 109.931 108.800 0.048 0.000 2.159 285 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.256 285 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.256 285 G C 0.267 175.179 174.900 0.021 0.000 0.977 285 G CA 0.067 45.186 45.100 0.032 0.000 0.652 285 G HN 0.890 nan 8.290 nan 0.000 0.531 286 A N -0.010 122.825 122.820 0.025 0.000 2.565 286 A HA 0.479 4.799 4.320 -0.000 0.000 0.237 286 A C 1.416 179.005 177.584 0.009 0.000 1.053 286 A CA 1.459 53.504 52.037 0.013 0.000 0.755 286 A CB 0.186 19.197 19.000 0.017 0.000 0.980 286 A HN 0.508 nan 8.150 nan 0.000 0.506 287 K N 1.197 121.597 120.400 -0.000 0.000 2.148 287 K HA -0.063 4.257 4.320 -0.000 0.000 0.204 287 K C -0.065 176.535 176.600 0.001 0.000 1.050 287 K CA 1.172 57.459 56.287 0.000 0.000 0.942 287 K CB 0.028 32.526 32.500 -0.004 0.000 0.724 287 K HN 0.706 nan 8.250 nan 0.000 0.446 288 N N 0.953 119.650 118.700 -0.004 0.000 2.818 288 N HA 0.070 4.810 4.740 -0.000 0.000 0.301 288 N C 0.246 175.756 175.510 0.000 0.000 1.821 288 N CA -0.035 53.013 53.050 -0.004 0.000 0.930 288 N CB 1.136 39.614 38.487 -0.015 0.000 1.263 288 N HN 0.119 nan 8.380 nan 0.000 0.487 289 R N 0.956 121.462 120.500 0.011 0.000 2.083 289 R HA -0.180 4.160 4.340 -0.000 0.000 0.237 289 R C 1.895 178.208 176.300 0.022 0.000 1.137 289 R CA 1.680 57.792 56.100 0.021 0.000 0.951 289 R CB 0.177 30.493 30.300 0.027 0.000 0.851 289 R HN 0.359 nan 8.270 nan 0.000 0.434 290 Q N -0.071 119.739 119.800 0.016 0.000 2.084 290 Q HA -0.175 4.164 4.340 -0.000 0.000 0.202 290 Q C 1.495 177.495 176.000 -0.000 0.000 0.978 290 Q CA 1.800 57.610 55.803 0.011 0.000 0.844 290 Q CB -0.001 28.742 28.738 0.009 0.000 0.898 290 Q HN 0.417 nan 8.270 nan 0.000 0.426 291 N N 0.378 119.081 118.700 0.005 0.000 2.188 291 N HA -0.125 4.615 4.740 -0.000 0.000 0.184 291 N C 1.575 177.109 175.510 0.040 0.000 1.018 291 N CA 1.251 54.315 53.050 0.023 0.000 0.858 291 N CB -0.406 38.110 38.487 0.048 0.000 0.989 291 N HN 0.335 nan 8.380 nan 0.000 0.426 292 A N 1.293 124.123 122.820 0.017 0.000 1.902 292 A HA -0.062 4.258 4.320 -0.000 0.000 0.217 292 A C 2.324 179.989 177.584 0.134 0.000 1.181 292 A CA 0.896 52.963 52.037 0.050 0.000 0.623 292 A CB -0.659 18.356 19.000 0.024 0.000 0.818 292 A HN 0.203 nan 8.150 nan 0.000 0.443 293 I N 0.102 120.725 120.570 0.088 0.000 2.226 293 I HA -0.267 3.903 4.170 -0.000 0.000 0.245 293 I C 2.088 178.261 176.117 0.093 0.000 1.100 293 I CA 1.159 62.515 61.300 0.093 0.000 1.374 293 I CB -0.465 37.568 38.000 0.056 0.000 1.057 293 I HN 0.294 nan 8.210 nan 0.000 0.413 294 N N 0.417 119.137 118.700 0.035 0.000 2.149 294 N HA -0.247 4.493 4.740 -0.000 0.000 0.188 294 N C 1.506 177.128 175.510 0.186 0.000 1.019 294 N CA 1.234 54.262 53.050 -0.037 0.000 0.857 294 N CB -0.500 37.652 38.487 -0.558 0.000 0.997 294 N HN 0.558 nan 8.380 nan 0.000 0.426 295 W N 2.063 123.406 121.300 0.071 0.000 2.333 295 W HA -0.158 4.501 4.660 -0.000 0.000 0.316 295 W C 1.561 178.098 176.519 0.030 0.000 1.215 295 W CA 0.937 58.280 57.345 -0.004 0.000 1.278 295 W CB -0.414 28.866 29.460 -0.300 0.000 1.154 295 W HN 0.045 nan 8.180 nan 0.000 0.486 296 L N 0.588 121.848 121.223 0.061 0.000 2.042 296 L HA -0.249 4.091 4.340 -0.000 0.000 0.210 296 L C 2.827 179.824 176.870 0.211 0.000 1.076 296 L CA 1.557 56.440 54.840 0.072 0.000 0.749 296 L CB -0.929 41.267 42.059 0.229 0.000 0.893 296 L HN -0.031 nan 8.230 nan 0.000 0.432 297 R N -0.239 120.403 120.500 0.237 0.000 2.081 297 R HA -0.193 4.146 4.340 -0.000 0.000 0.235 297 R C 2.232 178.671 176.300 0.231 0.000 1.131 297 R CA 1.329 57.607 56.100 0.298 0.000 0.960 297 R CB -0.563 29.823 30.300 0.143 0.000 0.856 297 R HN 0.211 nan 8.270 nan 0.000 0.436 298 L N 0.790 122.059 121.223 0.077 0.000 2.027 298 L HA -0.109 4.231 4.340 -0.000 0.000 0.206 298 L C 2.125 178.891 176.870 -0.173 0.000 1.074 298 L CA 1.487 56.316 54.840 -0.019 0.000 0.745 298 L CB -0.380 41.683 42.059 0.006 0.000 0.898 298 L HN -0.118 nan 8.230 nan 0.000 0.433 299 V N 0.263 119.945 119.914 -0.386 0.000 2.392 299 V HA -0.230 3.889 4.120 -0.000 0.000 0.249 299 V C 2.325 178.287 176.094 -0.221 0.000 1.059 299 V CA 1.884 63.943 62.300 -0.400 0.000 1.051 299 V CB -1.329 30.184 31.823 -0.515 0.000 0.658 299 V HN 0.662 nan 8.190 nan 0.000 0.455 300 G N -0.334 108.327 108.800 -0.231 0.000 2.985 300 G HA2 0.054 4.013 3.960 -0.000 0.000 0.209 300 G HA3 0.054 4.013 3.960 -0.000 0.000 0.209 300 G C 0.607 175.432 174.900 -0.125 0.000 1.165 300 G CA 0.645 45.478 45.100 -0.445 0.000 0.776 300 G HN 0.615 nan 8.290 nan 0.000 0.541 301 S N -0.834 114.880 115.700 0.024 0.000 2.616 301 S HA 0.360 4.830 4.470 -0.000 0.000 0.277 301 S C 1.145 175.743 174.600 -0.002 0.000 1.234 301 S CA -0.527 57.712 58.200 0.066 0.000 1.028 301 S CB 2.417 65.662 63.200 0.076 0.000 0.988 301 S HN 0.164 nan 8.310 nan 0.000 0.522 302 K N 1.108 121.507 120.400 -0.001 0.000 2.057 302 K HA -0.182 4.137 4.320 -0.000 0.000 0.207 302 K C 2.014 178.618 176.600 0.006 0.000 1.049 302 K CA 1.713 57.998 56.287 -0.003 0.000 0.931 302 K CB -0.311 32.187 32.500 -0.003 0.000 0.714 302 K HN 0.859 nan 8.250 nan 0.000 0.440 303 E N -0.552 119.650 120.200 0.002 0.000 2.058 303 E HA -0.176 4.173 4.350 -0.000 0.000 0.194 303 E C 1.919 178.511 176.600 -0.014 0.000 0.997 303 E CA 1.486 57.883 56.400 -0.005 0.000 0.801 303 E CB -0.291 29.405 29.700 -0.006 0.000 0.746 303 E HN 0.516 nan 8.360 nan 0.000 0.450 304 G N 0.431 109.218 108.800 -0.022 0.000 2.433 304 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.216 304 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.216 304 G C 1.465 176.338 174.900 -0.045 0.000 1.186 304 G CA 0.845 45.915 45.100 -0.050 0.000 0.779 304 G HN 0.297 nan 8.290 nan 0.000 0.543 305 Q N -0.065 119.720 119.800 -0.026 0.000 2.119 305 Q HA -0.070 4.270 4.340 -0.000 0.000 0.201 305 Q C 1.736 177.759 176.000 0.039 0.000 0.972 305 Q CA 1.170 56.975 55.803 0.004 0.000 0.847 305 Q CB 0.000 28.753 28.738 0.024 0.000 0.903 305 Q HN 0.328 nan 8.270 nan 0.000 0.433 306 D N -0.561 119.859 120.400 0.034 0.000 2.355 306 D HA -0.013 4.627 4.640 -0.000 0.000 0.218 306 D C 1.313 177.552 176.300 -0.100 0.000 1.004 306 D CA 0.654 54.659 54.000 0.008 0.000 0.880 306 D CB 0.266 41.098 40.800 0.053 0.000 0.911 306 D HN 0.124 nan 8.370 nan 0.000 0.528 307 T N -0.669 113.845 114.554 -0.066 0.000 2.894 307 T HA -0.069 4.281 4.350 -0.000 0.000 0.258 307 T C 2.130 176.779 174.700 -0.084 0.000 1.043 307 T CA 1.323 63.379 62.100 -0.072 0.000 1.141 307 T CB 0.118 68.963 68.868 -0.038 0.000 0.873 307 T HN 0.198 nan 8.240 nan 0.000 0.449 308 S N 1.823 117.480 115.700 -0.072 0.000 2.412 308 S HA 0.048 4.518 4.470 -0.000 0.000 0.223 308 S C 1.899 176.441 174.600 -0.097 0.000 1.048 308 S CA 0.162 58.315 58.200 -0.078 0.000 0.954 308 S CB -0.424 62.734 63.200 -0.070 0.000 0.840 308 S HN 0.263 nan 8.310 nan 0.000 0.503 309 N N 3.083 121.742 118.700 -0.069 0.000 2.166 309 N HA 0.030 4.769 4.740 -0.000 0.000 0.186 309 N C -1.078 174.417 175.510 -0.024 0.000 1.019 309 N CA 1.311 54.352 53.050 -0.015 0.000 0.856 309 N CB -1.541 37.024 38.487 0.130 0.000 0.993 309 N HN 0.372 nan 8.380 nan 0.000 0.426 310 P HA -0.082 nan 4.420 nan 0.000 0.218 310 P C 1.464 178.709 177.300 -0.093 0.000 1.146 310 P CA 0.881 63.806 63.100 -0.292 0.000 0.813 310 P CB -0.006 31.403 31.700 -0.486 0.000 0.778 311 L N -1.448 119.727 121.223 -0.080 0.000 2.313 311 L HA -0.029 4.311 4.340 -0.000 0.000 0.214 311 L C 2.347 179.213 176.870 -0.006 0.000 1.119 311 L CA 1.079 55.897 54.840 -0.037 0.000 0.809 311 L CB -0.417 41.614 42.059 -0.047 0.000 0.933 311 L HN -0.110 nan 8.230 nan 0.000 0.449 312 K N -0.051 120.341 120.400 -0.013 0.000 2.211 312 K HA 0.079 4.399 4.320 -0.000 0.000 0.201 312 K C 1.382 178.060 176.600 0.131 0.000 1.052 312 K CA 1.162 57.457 56.287 0.014 0.000 0.973 312 K CB 0.296 32.745 32.500 -0.085 0.000 0.766 312 K HN 0.159 nan 8.250 nan 0.000 0.466 313 G N -0.228 108.648 108.800 0.126 0.000 2.232 313 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.226 313 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.226 313 G C 0.176 175.207 174.900 0.219 0.000 0.996 313 G CA 0.364 45.568 45.100 0.172 0.000 0.626 313 G HN 0.524 nan 8.290 nan 0.000 0.509 314 S N 0.703 116.403 115.700 0.001 0.000 2.655 314 S HA 0.765 5.235 4.470 -0.000 0.000 0.265 314 S C 0.633 175.209 174.600 -0.040 0.000 1.240 314 S CA -0.173 57.864 58.200 -0.272 0.000 0.986 314 S CB 1.680 64.350 63.200 -0.884 0.000 0.985 314 S HN 1.432 nan 8.310 nan 0.000 0.562 315 I N -1.972 118.519 120.570 -0.133 0.000 2.822 315 I HA 0.820 4.990 4.170 -0.000 0.000 0.312 315 I C 0.198 176.207 176.117 -0.180 0.000 1.011 315 I CA -1.635 59.550 61.300 -0.192 0.000 1.105 315 I CB 1.157 38.959 38.000 -0.331 0.000 1.291 315 I HN 0.756 nan 8.210 nan 0.000 0.474 316 A N 2.483 125.218 122.820 -0.142 0.000 2.445 316 A HA 0.520 4.839 4.320 -0.000 0.000 0.242 316 A C 1.162 178.686 177.584 -0.101 0.000 1.075 316 A CA 0.266 52.271 52.037 -0.054 0.000 0.777 316 A CB 0.476 19.489 19.000 0.022 0.000 1.013 316 A HN 1.097 nan 8.150 nan 0.000 0.493 317 A N 2.255 125.073 122.820 -0.002 0.000 2.016 317 A HA 0.051 4.370 4.320 -0.000 0.000 0.217 317 A C 1.365 179.144 177.584 0.325 0.000 1.162 317 A CA 0.516 52.616 52.037 0.105 0.000 0.662 317 A CB -0.152 18.895 19.000 0.078 0.000 0.812 317 A HN 0.795 nan 8.150 nan 0.000 0.450 318 R N -0.045 120.575 120.500 0.200 0.000 2.491 318 R HA 0.283 4.623 4.340 -0.000 0.000 0.283 318 R C 0.629 176.950 176.300 0.036 0.000 1.072 318 R CA -0.308 55.795 56.100 0.004 0.000 1.048 318 R CB 0.457 30.677 30.300 -0.133 0.000 0.983 318 R HN 0.375 nan 8.270 nan 0.000 0.450 319 L N 1.850 123.082 121.223 0.015 0.000 2.083 319 L HA -0.209 4.131 4.340 -0.000 0.000 0.209 319 L C 1.544 178.417 176.870 0.005 0.000 1.083 319 L CA 1.294 56.157 54.840 0.038 0.000 0.752 319 L CB -0.348 41.723 42.059 0.019 0.000 0.899 319 L HN 0.718 nan 8.230 nan 0.000 0.433 320 D N -1.220 119.164 120.400 -0.027 0.000 2.319 320 D HA -0.043 4.596 4.640 -0.000 0.000 0.230 320 D C 0.902 177.201 176.300 -0.002 0.000 1.094 320 D CA -0.046 53.943 54.000 -0.018 0.000 0.856 320 D CB -0.176 40.607 40.800 -0.028 0.000 0.915 320 D HN -0.000 nan 8.370 nan 0.000 0.517 321 S N 0.230 115.931 115.700 0.003 0.000 2.558 321 S HA -0.040 4.430 4.470 -0.000 0.000 0.287 321 S C -0.112 174.516 174.600 0.046 0.000 1.321 321 S CA -0.377 57.842 58.200 0.031 0.000 1.048 321 S CB 0.468 63.664 63.200 -0.007 0.000 0.844 321 S HN 0.219 nan 8.310 nan 0.000 0.512 322 D N 4.341 124.811 120.400 0.116 0.000 2.411 322 D HA 0.320 4.959 4.640 -0.000 0.000 0.225 322 D C -1.274 175.146 176.300 0.199 0.000 1.156 322 D CA -2.296 51.774 54.000 0.117 0.000 0.874 322 D CB 1.381 42.240 40.800 0.098 0.000 1.034 322 D HN 0.294 nan 8.370 nan 0.000 0.502 323 P HA -0.176 nan 4.420 nan 0.000 0.219 323 P C 1.195 178.620 177.300 0.210 0.000 1.146 323 P CA 0.821 63.996 63.100 0.124 0.000 0.808 323 P CB 0.061 31.780 31.700 0.033 0.000 0.779 324 S N -0.687 115.099 115.700 0.143 0.000 2.474 324 S HA -0.062 4.408 4.470 -0.000 0.000 0.235 324 S C 1.658 176.313 174.600 0.091 0.000 0.997 324 S CA 0.627 58.888 58.200 0.102 0.000 0.949 324 S CB -0.735 62.501 63.200 0.060 0.000 0.766 324 S HN 0.057 nan 8.310 nan 0.000 0.517 325 K N 0.410 120.882 120.400 0.119 0.000 2.459 325 K HA 0.199 4.519 4.320 -0.000 0.000 0.193 325 K C -0.525 175.925 176.600 -0.250 0.000 1.030 325 K CA 0.259 56.499 56.287 -0.078 0.000 1.026 325 K CB -0.218 32.173 32.500 -0.181 0.000 0.809 325 K HN 0.572 nan 8.250 nan 0.000 0.504 326 Y N 1.488 121.794 120.300 0.010 0.000 2.446 326 Y HA 0.102 4.652 4.550 -0.000 0.000 0.338 326 Y C 0.947 176.864 175.900 0.028 0.000 1.055 326 Y CA -1.627 56.482 58.100 0.015 0.000 1.101 326 Y CB 0.903 39.364 38.460 0.001 0.000 1.221 326 Y HN 0.042 nan 8.280 nan 0.000 0.460 327 N N 0.826 119.624 118.700 0.164 0.000 2.290 327 N HA 0.124 4.864 4.740 -0.000 0.000 0.269 327 N C 1.018 176.617 175.510 0.149 0.000 1.295 327 N CA 0.235 53.367 53.050 0.137 0.000 0.932 327 N CB 0.032 38.599 38.487 0.132 0.000 1.128 327 N HN 0.696 nan 8.380 nan 0.000 0.532 328 A N -1.442 121.474 122.820 0.160 0.000 1.978 328 A HA -0.181 4.139 4.320 -0.000 0.000 0.220 328 A C 2.032 179.729 177.584 0.187 0.000 1.170 328 A CA 1.430 53.594 52.037 0.211 0.000 0.636 328 A CB -1.342 17.838 19.000 0.300 0.000 0.810 328 A HN 0.738 nan 8.150 nan 0.000 0.448 329 Y N 0.493 120.748 120.300 -0.076 0.000 2.153 329 Y HA 0.048 4.598 4.550 -0.000 0.000 0.289 329 Y C 2.483 178.280 175.900 -0.171 0.000 1.127 329 Y CA 1.474 59.279 58.100 -0.491 0.000 1.131 329 Y CB -0.904 37.163 38.460 -0.655 0.000 0.995 329 Y HN 0.208 nan 8.280 nan 0.000 0.505 330 G N -0.170 108.556 108.800 -0.123 0.000 2.440 330 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.218 330 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.218 330 G C 1.445 176.221 174.900 -0.206 0.000 1.154 330 G CA 1.054 46.103 45.100 -0.085 0.000 0.767 330 G HN 0.531 nan 8.290 nan 0.000 0.552 331 Q N 0.067 119.822 119.800 -0.075 0.000 2.124 331 Q HA -0.084 4.256 4.340 -0.000 0.000 0.202 331 Q C 2.824 178.773 176.000 -0.085 0.000 0.977 331 Q CA 1.370 57.137 55.803 -0.060 0.000 0.850 331 Q CB -0.234 28.522 28.738 0.031 0.000 0.901 331 Q HN 0.517 nan 8.270 nan 0.000 0.429 332 S N 0.347 115.976 115.700 -0.118 0.000 2.355 332 S HA -0.135 4.334 4.470 -0.000 0.000 0.222 332 S C 2.033 176.562 174.600 -0.119 0.000 1.031 332 S CA 1.053 59.220 58.200 -0.054 0.000 0.993 332 S CB -0.163 63.105 63.200 0.112 0.000 0.859 332 S HN 0.440 nan 8.310 nan 0.000 0.453 333 A N 1.589 124.183 122.820 -0.376 0.000 1.902 333 A HA -0.030 4.290 4.320 -0.000 0.000 0.217 333 A C 2.285 179.909 177.584 0.067 0.000 1.181 333 A CA 1.716 53.661 52.037 -0.153 0.000 0.623 333 A CB -0.753 18.044 19.000 -0.338 0.000 0.818 333 A HN 0.630 nan 8.150 nan 0.000 0.443 334 M N -1.054 118.503 119.600 -0.072 0.000 2.106 334 M HA -0.228 4.252 4.480 -0.000 0.000 0.259 334 M C 2.412 178.752 176.300 0.066 0.000 1.068 334 M CA 1.782 57.068 55.300 -0.024 0.000 1.100 334 M CB -0.350 32.165 32.600 -0.141 0.000 1.351 334 M HN 0.383 nan 8.290 nan 0.000 0.404 335 R N 0.056 120.580 120.500 0.040 0.000 2.066 335 R HA -0.129 4.210 4.340 -0.000 0.000 0.232 335 R C 1.758 178.106 176.300 0.081 0.000 1.131 335 R CA 1.479 57.607 56.100 0.048 0.000 0.955 335 R CB -0.457 29.866 30.300 0.038 0.000 0.851 335 R HN 0.350 nan 8.270 nan 0.000 0.432 336 D N 0.031 120.523 120.400 0.152 0.000 2.117 336 D HA -0.235 4.405 4.640 -0.000 0.000 0.197 336 D C 1.432 177.870 176.300 0.231 0.000 0.987 336 D CA 0.813 54.958 54.000 0.241 0.000 0.829 336 D CB -0.443 40.572 40.800 0.359 0.000 0.961 336 D HN 0.366 nan 8.370 nan 0.000 0.460 337 W N 1.628 122.864 121.300 -0.107 0.000 2.325 337 W HA -0.225 4.435 4.660 -0.000 0.000 0.299 337 W C 1.661 178.005 176.519 -0.292 0.000 1.215 337 W CA 1.042 58.058 57.345 -0.548 0.000 1.244 337 W CB 0.028 29.163 29.460 -0.541 0.000 1.140 337 W HN -0.001 nan 8.180 nan 0.000 0.523 338 R N -0.179 120.212 120.500 -0.182 0.000 2.200 338 R HA -0.063 4.277 4.340 -0.000 0.000 0.208 338 R C 2.384 178.570 176.300 -0.189 0.000 1.033 338 R CA 1.523 57.468 56.100 -0.258 0.000 1.000 338 R CB -0.159 30.072 30.300 -0.115 0.000 0.906 338 R HN 0.126 nan 8.270 nan 0.000 0.462 339 S N -0.763 114.874 115.700 -0.105 0.000 2.514 339 S HA 0.135 4.605 4.470 -0.000 0.000 0.223 339 S C 0.630 175.199 174.600 -0.052 0.000 1.046 339 S CA -0.499 57.662 58.200 -0.065 0.000 0.914 339 S CB 0.135 63.325 63.200 -0.017 0.000 0.807 339 S HN 0.031 nan 8.310 nan 0.000 0.497 340 N N 2.429 121.113 118.700 -0.027 0.000 2.445 340 N HA 0.400 5.140 4.740 -0.000 0.000 0.264 340 N C -0.219 175.281 175.510 -0.015 0.000 1.227 340 N CA -0.439 52.627 53.050 0.028 0.000 0.963 340 N CB 0.281 38.864 38.487 0.160 0.000 1.188 340 N HN 0.282 nan 8.380 nan 0.000 0.491 341 R N 1.234 121.746 120.500 0.020 0.000 2.442 341 R HA 0.178 4.518 4.340 -0.000 0.000 0.291 341 R C -0.719 175.620 176.300 0.066 0.000 1.069 341 R CA 0.081 56.193 56.100 0.019 0.000 1.022 341 R CB -0.089 30.229 30.300 0.031 0.000 0.976 341 R HN 0.388 nan 8.270 nan 0.000 0.443 342 I N 6.632 127.227 120.570 0.041 0.000 2.359 342 I HA 0.310 4.480 4.170 -0.000 0.000 0.294 342 I C 0.148 176.360 176.117 0.159 0.000 0.987 342 I CA -0.721 60.648 61.300 0.116 0.000 1.225 342 I CB 0.965 38.974 38.000 0.014 0.000 1.366 342 I HN 0.586 nan 8.210 nan 0.000 0.466 343 V N 2.316 122.365 119.914 0.225 0.000 3.141 343 V HA 1.032 5.152 4.120 -0.000 0.000 0.312 343 V C 0.030 176.307 176.094 0.304 0.000 1.157 343 V CA -0.752 61.713 62.300 0.275 0.000 1.041 343 V CB 1.544 33.556 31.823 0.314 0.000 1.071 343 V HN 0.795 nan 8.190 nan 0.000 0.441 344 G N 0.190 109.202 108.800 0.354 0.000 2.434 344 G HA2 0.529 4.489 3.960 -0.000 0.000 0.330 344 G HA3 0.529 4.489 3.960 -0.000 0.000 0.330 344 G C -0.346 174.754 174.900 0.334 0.000 1.155 344 G CA -0.139 45.130 45.100 0.281 0.000 0.917 344 G HN 1.188 nan 8.290 nan 0.000 0.493 345 S N 0.010 115.835 115.700 0.209 0.000 2.545 345 S HA 0.148 4.618 4.470 -0.000 0.000 0.275 345 S C 1.323 175.962 174.600 0.065 0.000 1.299 345 S CA -0.696 57.620 58.200 0.194 0.000 1.048 345 S CB 1.008 64.332 63.200 0.207 0.000 0.938 345 S HN 0.639 nan 8.310 nan 0.000 0.496 346 L N 6.755 128.035 121.223 0.094 0.000 2.034 346 L HA 0.131 4.470 4.340 -0.000 0.000 0.203 346 L C 2.081 178.872 176.870 -0.132 0.000 1.074 346 L CA 1.745 56.457 54.840 -0.214 0.000 0.748 346 L CB -0.972 41.003 42.059 -0.140 0.000 0.905 346 L HN 0.598 nan 8.230 nan 0.000 0.439 347 V N 0.318 120.202 119.914 -0.049 0.000 2.594 347 V HA -0.221 3.899 4.120 -0.000 0.000 0.253 347 V C 1.531 177.339 176.094 -0.477 0.000 1.069 347 V CA 1.658 63.847 62.300 -0.185 0.000 1.082 347 V CB -1.073 30.701 31.823 -0.081 0.000 0.680 347 V HN 0.576 nan 8.190 nan 0.000 0.469 348 H N -0.770 118.265 119.070 -0.058 0.000 2.472 348 H HA 0.401 4.956 4.556 -0.000 0.000 0.287 348 H C 1.672 176.637 175.328 -0.606 0.000 1.112 348 H CA 0.710 56.530 56.048 -0.380 0.000 1.021 348 H CB 0.436 30.075 29.762 -0.205 0.000 1.635 348 H HN 0.441 nan 8.280 nan 0.000 0.559 349 G N 0.694 109.378 108.800 -0.192 0.000 2.199 349 G HA2 -0.382 3.578 3.960 -0.000 0.000 0.254 349 G HA3 -0.382 3.578 3.960 -0.000 0.000 0.254 349 G C 1.441 176.322 174.900 -0.031 0.000 0.982 349 G CA 0.511 45.581 45.100 -0.050 0.000 0.632 349 G HN 0.562 nan 8.290 nan 0.000 0.529 350 A N -0.126 122.663 122.820 -0.051 0.000 1.897 350 A HA 0.371 4.690 4.320 -0.000 0.000 0.215 350 A C 2.628 180.157 177.584 -0.091 0.000 1.181 350 A CA 3.402 55.431 52.037 -0.013 0.000 0.620 350 A CB -0.451 18.580 19.000 0.052 0.000 0.821 350 A HN 1.635 nan 8.150 nan 0.000 0.443 351 V N -4.940 114.820 119.914 -0.257 0.000 3.523 351 V HA 0.673 4.793 4.120 -0.000 0.000 0.255 351 V C 0.799 176.603 176.094 -0.484 0.000 1.226 351 V CA 0.415 62.464 62.300 -0.419 0.000 1.092 351 V CB -0.564 30.790 31.823 -0.781 0.000 0.817 351 V HN 0.670 nan 8.190 nan 0.000 0.458 352 A N 1.628 124.144 122.820 -0.508 0.000 2.401 352 A HA 0.904 5.224 4.320 -0.000 0.000 0.310 352 A C -2.982 174.510 177.584 -0.153 0.000 1.075 352 A CA -2.085 49.732 52.037 -0.366 0.000 0.746 352 A CB 1.214 19.858 19.000 -0.593 0.000 1.277 352 A HN 0.211 nan 8.150 nan 0.000 0.425 353 P HA 0.057 nan 4.420 nan 0.000 0.269 353 P C 0.287 177.591 177.300 0.007 0.000 1.215 353 P CA 0.072 63.151 63.100 -0.035 0.000 0.780 353 P CB 0.857 32.546 31.700 -0.019 0.000 0.898 354 E N 1.294 121.471 120.200 -0.038 0.000 2.204 354 E HA -0.159 4.190 4.350 -0.000 0.000 0.195 354 E C 1.714 178.300 176.600 -0.023 0.000 0.990 354 E CA 1.379 57.757 56.400 -0.037 0.000 0.821 354 E CB -0.081 29.564 29.700 -0.092 0.000 0.750 354 E HN 0.497 nan 8.360 nan 0.000 0.477 355 S N 0.029 115.718 115.700 -0.019 0.000 2.370 355 S HA -0.217 4.253 4.470 -0.000 0.000 0.226 355 S C 1.838 176.465 174.600 0.046 0.000 1.033 355 S CA 1.103 59.300 58.200 -0.005 0.000 1.011 355 S CB -0.636 62.562 63.200 -0.003 0.000 0.852 355 S HN 0.433 nan 8.310 nan 0.000 0.457 356 F N 1.766 121.697 119.950 -0.032 0.000 2.149 356 F HA 0.210 4.737 4.527 -0.000 0.000 0.294 356 F C 2.463 178.262 175.800 -0.002 0.000 1.095 356 F CA 1.100 59.099 58.000 -0.003 0.000 1.276 356 F CB -0.317 38.702 39.000 0.031 0.000 1.023 356 F HN 0.072 nan 8.300 nan 0.000 0.480 357 M N 0.191 119.912 119.600 0.202 0.000 2.108 357 M HA -0.277 4.203 4.480 -0.000 0.000 0.257 357 M C 2.283 178.590 176.300 0.011 0.000 1.071 357 M CA 2.315 57.671 55.300 0.093 0.000 1.093 357 M CB -0.703 31.916 32.600 0.032 0.000 1.345 357 M HN 0.358 nan 8.290 nan 0.000 0.403 358 S N -0.810 114.873 115.700 -0.030 0.000 2.515 358 S HA -0.083 4.386 4.470 -0.000 0.000 0.231 358 S C 1.586 176.141 174.600 -0.075 0.000 0.987 358 S CA 0.668 58.838 58.200 -0.050 0.000 0.936 358 S CB -0.262 62.901 63.200 -0.061 0.000 0.766 358 S HN 0.584 nan 8.310 nan 0.000 0.528 359 Q N -1.007 118.715 119.800 -0.131 0.000 2.378 359 Q HA 0.309 4.649 4.340 -0.000 0.000 0.216 359 Q C 1.184 177.056 176.000 -0.213 0.000 0.892 359 Q CA -0.039 55.656 55.803 -0.180 0.000 0.931 359 Q CB -0.108 28.493 28.738 -0.229 0.000 1.086 359 Q HN 0.595 nan 8.270 nan 0.000 0.528 360 F N 1.304 121.013 119.950 -0.402 0.000 2.269 360 F HA -0.036 4.491 4.527 -0.000 0.000 0.301 360 F C 1.973 177.659 175.800 -0.190 0.000 1.082 360 F CA 1.457 59.231 58.000 -0.376 0.000 1.360 360 F CB -0.289 38.523 39.000 -0.314 0.000 1.041 360 F HN 0.053 nan 8.300 nan 0.000 0.512 361 G N -0.887 107.876 108.800 -0.062 0.000 2.469 361 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.220 361 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.220 361 G C 1.664 176.480 174.900 -0.139 0.000 1.136 361 G CA 1.517 46.576 45.100 -0.069 0.000 0.759 361 G HN 0.379 nan 8.290 nan 0.000 0.562 362 T N 0.575 115.029 114.554 -0.166 0.000 2.857 362 T HA -0.042 4.308 4.350 -0.000 0.000 0.266 362 T C 2.545 177.106 174.700 -0.231 0.000 1.048 362 T CA 0.977 62.978 62.100 -0.166 0.000 1.139 362 T CB -0.134 68.645 68.868 -0.148 0.000 0.874 362 T HN 0.081 nan 8.240 nan 0.000 0.455 363 V N 1.637 121.338 119.914 -0.355 0.000 2.295 363 V HA -0.175 3.944 4.120 -0.000 0.000 0.246 363 V C 2.488 178.316 176.094 -0.443 0.000 1.049 363 V CA 1.722 63.745 62.300 -0.462 0.000 1.024 363 V CB -0.609 30.816 31.823 -0.663 0.000 0.648 363 V HN 0.384 nan 8.190 nan 0.000 0.447 364 M N 0.657 119.975 119.600 -0.470 0.000 2.149 364 M HA -0.174 4.306 4.480 -0.000 0.000 0.261 364 M C 1.935 178.226 176.300 -0.014 0.000 1.064 364 M CA 2.110 57.288 55.300 -0.203 0.000 1.102 364 M CB -0.606 31.883 32.600 -0.185 0.000 1.369 364 M HN 0.382 nan 8.290 nan 0.000 0.408 365 E N -0.035 120.122 120.200 -0.071 0.000 2.107 365 E HA -0.101 4.249 4.350 -0.000 0.000 0.191 365 E C 1.811 178.383 176.600 -0.046 0.000 0.982 365 E CA 1.555 57.937 56.400 -0.029 0.000 0.809 365 E CB -0.528 29.146 29.700 -0.044 0.000 0.756 365 E HN 0.663 nan 8.360 nan 0.000 0.459 366 I N 0.006 120.516 120.570 -0.100 0.000 2.163 366 I HA -0.244 3.926 4.170 -0.000 0.000 0.243 366 I C 2.069 178.127 176.117 -0.099 0.000 1.085 366 I CA 1.271 62.499 61.300 -0.119 0.000 1.347 366 I CB -0.320 37.578 38.000 -0.171 0.000 1.044 366 I HN 0.164 nan 8.210 nan 0.000 0.408 367 F N 1.255 121.080 119.950 -0.207 0.000 2.134 367 F HA -0.194 4.333 4.527 -0.000 0.000 0.299 367 F C 2.222 178.039 175.800 0.027 0.000 1.097 367 F CA 1.557 59.491 58.000 -0.110 0.000 1.264 367 F CB -0.166 38.801 39.000 -0.054 0.000 1.001 367 F HN -0.109 nan 8.300 nan 0.000 0.479 368 L N -0.331 120.961 121.223 0.115 0.000 2.046 368 L HA -0.238 4.101 4.340 -0.000 0.000 0.208 368 L C 2.537 179.358 176.870 -0.081 0.000 1.077 368 L CA 1.139 56.012 54.840 0.054 0.000 0.747 368 L CB -0.843 41.277 42.059 0.102 0.000 0.896 368 L HN 0.209 nan 8.230 nan 0.000 0.432 369 Q N -0.509 119.235 119.800 -0.093 0.000 2.083 369 Q HA -0.118 4.221 4.340 -0.000 0.000 0.198 369 Q C 2.267 178.176 176.000 -0.151 0.000 0.969 369 Q CA 2.129 57.871 55.803 -0.102 0.000 0.838 369 Q CB -0.264 28.425 28.738 -0.081 0.000 0.900 369 Q HN 0.646 nan 8.270 nan 0.000 0.436 370 T N -2.941 111.483 114.554 -0.218 0.000 3.023 370 T HA 0.116 4.466 4.350 -0.000 0.000 0.249 370 T C 0.610 175.105 174.700 -0.342 0.000 1.050 370 T CA -0.280 61.683 62.100 -0.228 0.000 1.088 370 T CB 0.327 69.080 68.868 -0.191 0.000 0.946 370 T HN 0.062 nan 8.240 nan 0.000 0.480 371 R N 1.836 121.944 120.500 -0.654 0.000 3.516 371 R HA -0.128 4.211 4.340 -0.000 0.000 0.271 371 R C -0.563 175.363 176.300 -0.623 0.000 1.098 371 R CA 0.553 55.998 56.100 -1.092 0.000 0.732 371 R CB -2.899 27.074 30.300 -0.546 0.000 1.152 371 R HN 0.594 nan 8.270 nan 0.000 0.455 372 N N 0.800 119.261 118.700 -0.398 0.000 2.501 372 N HA 0.228 4.967 4.740 -0.000 0.000 0.245 372 N C -1.733 173.860 175.510 0.139 0.000 0.974 372 N CA -2.212 50.802 53.050 -0.059 0.000 0.941 372 N CB 1.497 39.929 38.487 -0.091 0.000 1.122 372 N HN -0.146 nan 8.380 nan 0.000 0.507 373 P HA -0.071 nan 4.420 nan 0.000 0.217 373 P C 0.850 178.182 177.300 0.052 0.000 1.150 373 P CA 1.236 64.525 63.100 0.315 0.000 0.832 373 P CB 0.596 32.532 31.700 0.394 0.000 0.787 374 Q N -0.140 119.695 119.800 0.058 0.000 2.084 374 Q HA -0.084 4.256 4.340 -0.000 0.000 0.202 374 Q C 2.317 178.282 176.000 -0.058 0.000 0.978 374 Q CA 2.087 57.901 55.803 0.018 0.000 0.844 374 Q CB -1.496 27.258 28.738 0.027 0.000 0.898 374 Q HN 0.193 nan 8.270 nan 0.000 0.426 375 A N 0.365 123.134 122.820 -0.086 0.000 1.930 375 A HA 0.007 4.327 4.320 -0.000 0.000 0.217 375 A C 2.225 179.671 177.584 -0.231 0.000 1.175 375 A CA 1.541 53.502 52.037 -0.126 0.000 0.627 375 A CB -0.868 18.065 19.000 -0.112 0.000 0.815 375 A HN 0.363 nan 8.150 nan 0.000 0.443 376 A N -0.063 122.526 122.820 -0.385 0.000 1.873 376 A HA 0.220 4.540 4.320 -0.000 0.000 0.215 376 A C 2.504 179.664 177.584 -0.706 0.000 1.186 376 A CA 1.907 53.475 52.037 -0.781 0.000 0.616 376 A CB -1.025 17.062 19.000 -1.522 0.000 0.823 376 A HN 1.008 nan 8.150 nan 0.000 0.442 377 A N 0.341 122.843 122.820 -0.530 0.000 1.902 377 A HA -0.208 4.111 4.320 -0.000 0.000 0.217 377 A C 1.919 179.520 177.584 0.028 0.000 1.181 377 A CA 1.890 53.922 52.037 -0.009 0.000 0.623 377 A CB -0.660 18.453 19.000 0.188 0.000 0.818 377 A HN 0.534 nan 8.150 nan 0.000 0.443 378 N N 0.514 119.188 118.700 -0.043 0.000 2.120 378 N HA -0.111 4.629 4.740 -0.000 0.000 0.188 378 N C 1.875 177.352 175.510 -0.055 0.000 1.024 378 N CA 1.644 54.680 53.050 -0.023 0.000 0.852 378 N CB -0.628 37.837 38.487 -0.037 0.000 1.003 378 N HN 0.468 nan 8.380 nan 0.000 0.424 379 A N 0.813 123.556 122.820 -0.128 0.000 1.933 379 A HA 0.026 4.346 4.320 -0.000 0.000 0.218 379 A C 2.344 179.826 177.584 -0.169 0.000 1.175 379 A CA 1.919 53.860 52.037 -0.160 0.000 0.628 379 A CB -0.813 18.051 19.000 -0.226 0.000 0.814 379 A HN 0.321 nan 8.150 nan 0.000 0.444 380 A N -1.079 121.637 122.820 -0.174 0.000 1.902 380 A HA -0.179 4.141 4.320 -0.000 0.000 0.217 380 A C 2.153 179.621 177.584 -0.193 0.000 1.181 380 A CA 2.072 53.963 52.037 -0.242 0.000 0.623 380 A CB -0.502 18.345 19.000 -0.256 0.000 0.818 380 A HN 0.504 nan 8.150 nan 0.000 0.443 381 Q N -0.107 119.696 119.800 0.006 0.000 2.124 381 Q HA -0.019 4.320 4.340 -0.000 0.000 0.202 381 Q C 2.038 178.085 176.000 0.079 0.000 0.977 381 Q CA 2.001 57.888 55.803 0.140 0.000 0.850 381 Q CB -0.652 28.190 28.738 0.173 0.000 0.901 381 Q HN 0.563 nan 8.270 nan 0.000 0.429 382 A N 0.227 123.057 122.820 0.016 0.000 1.940 382 A HA -0.159 4.161 4.320 -0.000 0.000 0.219 382 A C 1.857 179.443 177.584 0.003 0.000 1.176 382 A CA 1.544 53.581 52.037 0.000 0.000 0.631 382 A CB -0.624 18.355 19.000 -0.035 0.000 0.814 382 A HN 0.435 nan 8.150 nan 0.000 0.446 383 I N -0.114 120.441 120.570 -0.024 0.000 2.233 383 I HA -0.172 3.997 4.170 -0.000 0.000 0.243 383 I C 2.952 179.163 176.117 0.156 0.000 1.093 383 I CA 1.298 62.586 61.300 -0.020 0.000 1.380 383 I CB -1.771 36.087 38.000 -0.236 0.000 1.067 383 I HN 0.341 nan 8.210 nan 0.000 0.413 384 A N 0.750 123.734 122.820 0.272 0.000 1.940 384 A HA -0.229 4.091 4.320 -0.000 0.000 0.219 384 A C 1.984 179.674 177.584 0.177 0.000 1.176 384 A CA 2.076 54.305 52.037 0.321 0.000 0.631 384 A CB -0.634 18.576 19.000 0.350 0.000 0.814 384 A HN 0.372 nan 8.150 nan 0.000 0.446 385 D N -0.978 119.497 120.400 0.124 0.000 2.117 385 D HA -0.153 4.487 4.640 -0.000 0.000 0.198 385 D C 2.084 178.420 176.300 0.059 0.000 0.982 385 D CA 1.391 55.437 54.000 0.078 0.000 0.828 385 D CB -0.411 40.423 40.800 0.057 0.000 0.967 385 D HN 0.639 nan 8.370 nan 0.000 0.464 386 Q N 0.899 120.731 119.800 0.053 0.000 2.124 386 Q HA -0.124 4.216 4.340 -0.000 0.000 0.202 386 Q C 1.962 177.987 176.000 0.041 0.000 0.977 386 Q CA 1.556 57.378 55.803 0.032 0.000 0.850 386 Q CB 0.225 28.971 28.738 0.013 0.000 0.901 386 Q HN 0.313 nan 8.270 nan 0.000 0.429 387 V N -3.701 116.257 119.914 0.074 0.000 3.608 387 V HA 0.363 4.483 4.120 -0.000 0.000 0.269 387 V C 0.991 177.124 176.094 0.064 0.000 1.245 387 V CA 0.796 63.141 62.300 0.074 0.000 1.138 387 V CB -0.083 31.815 31.823 0.125 0.000 0.841 387 V HN 0.386 nan 8.190 nan 0.000 0.451 388 G N 0.938 109.778 108.800 0.066 0.000 2.256 388 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.272 388 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.272 388 G C -0.345 174.585 174.900 0.050 0.000 1.076 388 G CA 0.279 45.408 45.100 0.048 0.000 0.882 388 G HN 0.686 nan 8.290 nan 0.000 0.497 389 L N -0.021 121.244 121.223 0.070 0.000 2.525 389 L HA 0.465 4.805 4.340 -0.000 0.000 0.278 389 L C 1.744 178.628 176.870 0.025 0.000 1.218 389 L CA 2.475 57.347 54.840 0.054 0.000 0.878 389 L CB 0.717 42.814 42.059 0.063 0.000 1.127 389 L HN 1.584 nan 8.230 nan 0.000 0.492 390 G N 3.039 111.851 108.800 0.019 0.000 2.284 390 G HA2 -0.278 3.681 3.960 -0.000 0.000 0.230 390 G HA3 -0.278 3.681 3.960 -0.000 0.000 0.230 390 G C 0.570 175.481 174.900 0.017 0.000 1.021 390 G CA 0.296 45.401 45.100 0.008 0.000 0.619 390 G HN 0.893 nan 8.290 nan 0.000 0.510 391 R N 0.000 120.513 120.500 0.021 0.000 2.786 391 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 391 R CA 0.000 56.115 56.100 0.026 0.000 0.921 391 R CB 0.000 30.314 30.300 0.024 0.000 0.687 391 R HN 0.000 nan 8.270 nan 0.000 0.535