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 1jpk_1_A DATA FIRST_RESID 10 DATA SEQUENCE GFPELKNDTF LRAAWGEETD YTPVWCMRQA GRYLPEFRET RAAQDFFSTC DATA SEQUENCE RSPEACCELT LQPLRRFPLD AAIIFSDILV VPQALGMEVT MVPGKGPSFP DATA SEQUENCE EPLREEQDLE RLRDPEVVAS ELGYVFQAIT LTRQRLAGRV PLIGFADAPW DATA SEQUENCE TLMTYMVEGG GSSTMAQAKR WLYQRPQASH QLLRILTDAL VPYLVGQVVA DATA SEQUENCE GAQALQLFES HAGHLGPQLF NKFALPYIRD VAKQVKARLR EAGLAPVPMI DATA SEQUENCE IFAKDGHFAL EELAQAGYEV VGLDWTVAPK KARECVGKTV TLQGNLDPCA DATA SEQUENCE LYASEEEIGQ LVKQMLDDFG PHRYIANLGH GLYPDMDPEH VGAFVDAVHK DATA SEQUENCE HSRLLRQ 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 10 G HA2 0.000 nan 3.960 nan 0.000 0.244 10 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 10 G C 0.000 174.683 174.900 -0.362 0.000 0.946 10 G CA 0.000 44.952 45.100 -0.247 0.000 0.502 11 F N 0.250 120.205 119.950 0.010 0.000 2.557 11 F HA 0.671 5.198 4.527 -0.000 0.000 0.336 11 F C -1.789 174.019 175.800 0.013 0.000 1.058 11 F CA -2.393 55.614 58.000 0.013 0.000 0.988 11 F CB 1.271 40.280 39.000 0.014 0.000 1.275 11 F HN -0.114 nan 8.300 nan 0.000 0.488 12 P HA 0.056 nan 4.420 nan 0.000 0.269 12 P C -0.973 176.394 177.300 0.112 0.000 1.209 12 P CA -0.388 62.788 63.100 0.128 0.000 0.776 12 P CB 0.492 32.254 31.700 0.104 0.000 0.876 13 E N 1.755 122.001 120.200 0.078 0.000 2.360 13 E HA 0.079 4.428 4.350 -0.000 0.000 0.269 13 E C -0.522 176.111 176.600 0.055 0.000 1.022 13 E CA -0.681 55.758 56.400 0.065 0.000 0.887 13 E CB 0.361 30.090 29.700 0.048 0.000 0.990 13 E HN 0.243 nan 8.360 nan 0.000 0.426 14 L N 5.307 126.561 121.223 0.052 0.000 2.462 14 L HA 0.009 4.349 4.340 -0.000 0.000 0.272 14 L C 0.673 177.571 176.870 0.045 0.000 1.166 14 L CA 0.852 55.719 54.840 0.047 0.000 0.880 14 L CB 0.539 42.628 42.059 0.050 0.000 1.142 14 L HN 0.633 nan 8.230 nan 0.000 0.473 15 K N 2.699 123.125 120.400 0.043 0.000 2.063 15 K HA 0.070 4.390 4.320 -0.000 0.000 0.204 15 K C 0.332 176.964 176.600 0.052 0.000 1.039 15 K CA 0.452 56.764 56.287 0.042 0.000 0.957 15 K CB 0.015 32.537 32.500 0.037 0.000 0.764 15 K HN 0.539 nan 8.250 nan 0.000 0.447 16 N N 2.128 120.864 118.700 0.060 0.000 2.485 16 N HA -0.017 4.723 4.740 -0.000 0.000 0.243 16 N C -1.038 174.524 175.510 0.087 0.000 0.987 16 N CA -0.134 52.966 53.050 0.082 0.000 0.940 16 N CB 0.978 39.525 38.487 0.099 0.000 1.122 16 N HN 0.150 nan 8.380 nan 0.000 0.509 17 D N 1.642 122.091 120.400 0.081 0.000 2.462 17 D HA 0.059 4.699 4.640 -0.000 0.000 0.221 17 D C 0.551 176.896 176.300 0.074 0.000 1.173 17 D CA -0.103 53.951 54.000 0.090 0.000 0.831 17 D CB -0.173 40.675 40.800 0.080 0.000 1.001 17 D HN 0.311 nan 8.370 nan 0.000 0.499 18 T N 0.400 114.979 114.554 0.043 0.000 2.685 18 T HA -0.197 4.153 4.350 -0.000 0.000 0.268 18 T C 1.327 176.012 174.700 -0.026 0.000 1.034 18 T CA 1.348 63.406 62.100 -0.070 0.000 1.149 18 T CB -0.583 68.122 68.868 -0.271 0.000 0.860 18 T HN 0.295 nan 8.240 nan 0.000 0.449 19 F N 1.644 121.552 119.950 -0.069 0.000 2.126 19 F HA -0.053 4.474 4.527 -0.000 0.000 0.299 19 F C 1.908 177.668 175.800 -0.067 0.000 1.096 19 F CA 1.163 59.123 58.000 -0.067 0.000 1.255 19 F CB -0.455 38.502 39.000 -0.072 0.000 0.997 19 F HN 0.069 nan 8.300 nan 0.000 0.479 20 L N -0.188 120.987 121.223 -0.080 0.000 2.093 20 L HA -0.141 4.199 4.340 -0.000 0.000 0.208 20 L C 2.669 179.521 176.870 -0.029 0.000 1.085 20 L CA 1.190 55.949 54.840 -0.136 0.000 0.755 20 L CB -0.632 41.503 42.059 0.127 0.000 0.904 20 L HN 0.049 nan 8.230 nan 0.000 0.435 21 R N 0.015 120.532 120.500 0.029 0.000 2.075 21 R HA -0.107 4.232 4.340 -0.000 0.000 0.232 21 R C 2.435 178.740 176.300 0.008 0.000 1.126 21 R CA 1.311 57.458 56.100 0.077 0.000 0.963 21 R CB -0.436 29.883 30.300 0.031 0.000 0.858 21 R HN 0.330 nan 8.270 nan 0.000 0.435 22 A N 1.206 123.962 122.820 -0.106 0.000 1.930 22 A HA -0.074 4.246 4.320 -0.000 0.000 0.217 22 A C 2.345 179.823 177.584 -0.177 0.000 1.175 22 A CA 1.550 53.514 52.037 -0.123 0.000 0.627 22 A CB -0.512 18.389 19.000 -0.166 0.000 0.815 22 A HN 0.388 nan 8.150 nan 0.000 0.443 23 A N -1.435 121.165 122.820 -0.368 0.000 1.933 23 A HA -0.151 4.169 4.320 -0.000 0.000 0.218 23 A C 1.861 179.219 177.584 -0.377 0.000 1.175 23 A CA 1.198 52.935 52.037 -0.500 0.000 0.628 23 A CB -0.830 17.657 19.000 -0.857 0.000 0.814 23 A HN 0.767 nan 8.150 nan 0.000 0.444 24 W N -1.327 119.894 121.300 -0.132 0.000 3.180 24 W HA 0.356 5.016 4.660 -0.000 0.000 0.254 24 W C 1.576 178.065 176.519 -0.049 0.000 1.318 24 W CA 0.592 57.891 57.345 -0.076 0.000 1.608 24 W CB 0.257 29.676 29.460 -0.069 0.000 1.124 24 W HN 0.567 nan 8.180 nan 0.000 0.694 25 G N 0.486 109.360 108.800 0.124 0.000 2.141 25 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.231 25 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.231 25 G C -0.009 174.941 174.900 0.082 0.000 0.984 25 G CA -0.412 44.742 45.100 0.092 0.000 0.660 25 G HN 0.315 nan 8.290 nan 0.000 0.525 26 E N 0.449 120.699 120.200 0.083 0.000 2.318 26 E HA 0.437 4.787 4.350 -0.000 0.000 0.265 26 E C 0.106 176.734 176.600 0.047 0.000 1.069 26 E CA -0.670 55.764 56.400 0.057 0.000 0.893 26 E CB 0.744 30.476 29.700 0.053 0.000 1.076 26 E HN 0.237 nan 8.360 nan 0.000 0.414 27 E N 1.310 121.538 120.200 0.046 0.000 2.366 27 E HA 0.133 4.483 4.350 -0.000 0.000 0.266 27 E C -0.264 176.349 176.600 0.022 0.000 1.051 27 E CA 0.061 56.498 56.400 0.062 0.000 0.884 27 E CB 1.326 31.070 29.700 0.073 0.000 1.006 27 E HN 0.549 nan 8.360 nan 0.000 0.417 28 T N -1.495 113.061 114.554 0.003 0.000 2.906 28 T HA 0.272 4.622 4.350 -0.000 0.000 0.295 28 T C 0.354 175.035 174.700 -0.031 0.000 1.075 28 T CA -0.870 61.194 62.100 -0.061 0.000 1.005 28 T CB 1.225 69.983 68.868 -0.183 0.000 1.136 28 T HN 0.020 nan 8.240 nan 0.000 0.498 29 D N -0.065 120.325 120.400 -0.016 0.000 2.263 29 D HA 0.112 4.752 4.640 -0.000 0.000 0.208 29 D C 0.434 176.847 176.300 0.188 0.000 0.971 29 D CA 1.766 55.827 54.000 0.101 0.000 0.867 29 D CB -0.207 40.699 40.800 0.176 0.000 0.929 29 D HN 0.751 nan 8.370 nan 0.000 0.492 30 Y N -3.571 116.740 120.300 0.019 0.000 2.725 30 Y HA 0.479 5.029 4.550 -0.000 0.000 0.333 30 Y C -0.807 175.119 175.900 0.043 0.000 1.242 30 Y CA -1.368 56.748 58.100 0.027 0.000 1.059 30 Y CB 0.662 39.120 38.460 -0.003 0.000 1.306 30 Y HN -0.443 nan 8.280 nan 0.000 0.454 31 T N 4.835 119.483 114.554 0.157 0.000 2.743 31 T HA 0.363 4.713 4.350 -0.000 0.000 0.293 31 T C -2.661 172.094 174.700 0.093 0.000 0.945 31 T CA -1.224 60.886 62.100 0.016 0.000 1.030 31 T CB 0.786 69.669 68.868 0.024 0.000 0.912 31 T HN 0.394 nan 8.240 nan 0.000 0.483 32 P HA 0.354 nan 4.420 nan 0.000 0.275 32 P C -0.835 176.529 177.300 0.107 0.000 1.228 32 P CA -0.380 62.799 63.100 0.132 0.000 0.786 32 P CB 1.184 32.947 31.700 0.104 0.000 0.927 33 V N 4.453 124.474 119.914 0.177 0.000 2.971 33 V HA 0.826 4.946 4.120 -0.000 0.000 0.309 33 V C -1.740 174.475 176.094 0.202 0.000 1.130 33 V CA -0.517 61.804 62.300 0.035 0.000 0.964 33 V CB 1.949 33.602 31.823 -0.285 0.000 1.029 33 V HN 0.844 nan 8.190 nan 0.000 0.427 34 W N 4.173 125.442 121.300 -0.052 0.000 3.066 34 W HA 0.727 5.387 4.660 -0.000 0.000 0.330 34 W C -2.261 174.253 176.519 -0.007 0.000 1.253 34 W CA -1.152 56.166 57.345 -0.044 0.000 1.187 34 W CB 0.946 30.333 29.460 -0.122 0.000 1.434 34 W HN 0.681 nan 8.180 nan 0.000 0.572 35 C N 2.676 121.982 119.300 0.009 0.000 2.408 35 C HA 0.525 4.985 4.460 -0.000 0.000 0.321 35 C C 0.690 175.526 174.990 -0.256 0.000 1.245 35 C CA -0.578 58.273 59.018 -0.278 0.000 1.523 35 C CB 0.870 28.491 27.740 -0.198 0.000 2.178 35 C HN 0.618 nan 8.230 nan 0.000 0.488 36 M N 2.836 122.133 119.600 -0.505 0.000 2.252 36 M HA 0.148 4.627 4.480 -0.000 0.000 0.348 36 M C 0.925 177.134 176.300 -0.152 0.000 1.334 36 M CA 0.984 56.137 55.300 -0.245 0.000 1.071 36 M CB 0.147 32.594 32.600 -0.255 0.000 1.763 36 M HN 0.770 nan 8.290 nan 0.000 0.452 37 R N 0.739 121.218 120.500 -0.034 0.000 3.654 37 R HA -0.219 4.121 4.340 -0.000 0.000 0.302 37 R C 1.072 177.406 176.300 0.056 0.000 1.166 37 R CA 0.944 57.029 56.100 -0.025 0.000 0.810 37 R CB -1.904 28.329 30.300 -0.112 0.000 1.323 37 R HN 0.887 nan 8.270 nan 0.000 0.478 38 Q N -0.544 119.340 119.800 0.140 0.000 2.226 38 Q HA -0.012 4.327 4.340 -0.000 0.000 0.204 38 Q C 0.743 176.957 176.000 0.358 0.000 0.975 38 Q CA 1.604 57.564 55.803 0.261 0.000 0.866 38 Q CB 0.222 29.129 28.738 0.281 0.000 0.915 38 Q HN 0.415 nan 8.270 nan 0.000 0.440 39 A N 1.148 124.108 122.820 0.233 0.000 2.621 39 A HA 0.643 4.963 4.320 -0.000 0.000 0.329 39 A C -0.054 177.425 177.584 -0.175 0.000 1.458 39 A CA 0.058 52.190 52.037 0.159 0.000 1.052 39 A CB 0.278 19.467 19.000 0.314 0.000 1.142 39 A HN 0.381 nan 8.150 nan 0.000 0.523 40 G N 0.198 108.689 108.800 -0.515 0.000 2.708 40 G HA2 0.447 4.407 3.960 -0.000 0.000 0.289 40 G HA3 0.447 4.407 3.960 -0.000 0.000 0.289 40 G C 0.327 174.541 174.900 -1.144 0.000 1.416 40 G CA -0.824 43.678 45.100 -0.997 0.000 0.829 40 G HN 0.481 nan 8.290 nan 0.000 0.480 41 R N -0.772 119.249 120.500 -0.799 0.000 2.316 41 R HA -0.159 4.181 4.340 -0.000 0.000 0.232 41 R C 1.988 178.236 176.300 -0.086 0.000 1.137 41 R CA 1.785 57.748 56.100 -0.229 0.000 1.012 41 R CB -0.448 29.846 30.300 -0.010 0.000 0.859 41 R HN 0.728 nan 8.270 nan 0.000 0.474 42 Y N -0.400 119.816 120.300 -0.139 0.000 2.421 42 Y HA 0.053 4.603 4.550 -0.000 0.000 0.292 42 Y C 0.572 176.466 175.900 -0.009 0.000 1.136 42 Y CA 0.116 58.185 58.100 -0.052 0.000 1.255 42 Y CB -0.110 38.312 38.460 -0.063 0.000 0.991 42 Y HN -0.130 nan 8.280 nan 0.000 0.552 43 L N 2.647 123.406 121.223 -0.775 0.000 2.265 43 L HA 0.243 4.583 4.340 -0.000 0.000 0.288 43 L C -1.575 175.189 176.870 -0.177 0.000 1.058 43 L CA -2.092 52.429 54.840 -0.532 0.000 0.809 43 L CB 1.445 43.152 42.059 -0.587 0.000 1.179 43 L HN -0.083 nan 8.230 nan 0.000 0.429 44 P HA -0.206 nan 4.420 nan 0.000 0.215 44 P C 1.255 178.525 177.300 -0.050 0.000 1.153 44 P CA 1.017 64.085 63.100 -0.053 0.000 0.853 44 P CB 0.138 31.809 31.700 -0.048 0.000 0.788 45 E N -0.666 119.492 120.200 -0.070 0.000 2.209 45 E HA -0.222 4.128 4.350 -0.000 0.000 0.196 45 E C 1.928 178.477 176.600 -0.085 0.000 0.993 45 E CA 1.103 57.455 56.400 -0.080 0.000 0.819 45 E CB -1.401 28.246 29.700 -0.088 0.000 0.745 45 E HN 0.292 nan 8.360 nan 0.000 0.477 46 F N 2.333 122.155 119.950 -0.213 0.000 2.128 46 F HA -0.017 4.510 4.527 -0.000 0.000 0.295 46 F C 2.491 178.153 175.800 -0.230 0.000 1.100 46 F CA 1.392 59.244 58.000 -0.248 0.000 1.260 46 F CB 0.042 38.880 39.000 -0.269 0.000 1.009 46 F HN -0.170 nan 8.300 nan 0.000 0.476 47 R N 0.180 120.687 120.500 0.012 0.000 2.081 47 R HA -0.179 4.161 4.340 -0.000 0.000 0.235 47 R C 2.262 178.457 176.300 -0.175 0.000 1.131 47 R CA 1.674 57.734 56.100 -0.067 0.000 0.960 47 R CB -0.704 29.607 30.300 0.018 0.000 0.856 47 R HN 0.439 nan 8.270 nan 0.000 0.436 48 E N 0.312 120.424 120.200 -0.147 0.000 2.031 48 E HA -0.172 4.178 4.350 -0.000 0.000 0.193 48 E C 1.511 177.993 176.600 -0.196 0.000 0.994 48 E CA 1.798 58.113 56.400 -0.142 0.000 0.800 48 E CB 0.102 29.737 29.700 -0.108 0.000 0.752 48 E HN 0.223 nan 8.360 nan 0.000 0.447 49 T N 0.870 115.268 114.554 -0.260 0.000 2.746 49 T HA -0.106 4.244 4.350 -0.000 0.000 0.267 49 T C 1.862 176.337 174.700 -0.375 0.000 1.039 49 T CA 0.752 62.674 62.100 -0.298 0.000 1.142 49 T CB -0.129 68.535 68.868 -0.340 0.000 0.866 49 T HN 0.028 nan 8.240 nan 0.000 0.444 50 R N 1.211 121.390 120.500 -0.535 0.000 2.148 50 R HA 0.176 4.516 4.340 -0.000 0.000 0.227 50 R C 2.215 178.315 176.300 -0.334 0.000 1.103 50 R CA 0.914 56.673 56.100 -0.567 0.000 0.983 50 R CB -0.707 29.110 30.300 -0.806 0.000 0.874 50 R HN 0.403 nan 8.270 nan 0.000 0.451 51 A N 0.029 122.701 122.820 -0.247 0.000 2.252 51 A HA 0.152 4.472 4.320 -0.000 0.000 0.207 51 A C 2.008 179.516 177.584 -0.126 0.000 1.194 51 A CA 0.925 52.868 52.037 -0.155 0.000 0.809 51 A CB -0.284 18.645 19.000 -0.117 0.000 0.814 51 A HN 0.307 nan 8.150 nan 0.000 0.482 52 A N -0.992 121.741 122.820 -0.145 0.000 1.877 52 A HA 0.053 4.372 4.320 -0.000 0.000 0.216 52 A C 1.368 178.904 177.584 -0.081 0.000 1.186 52 A CA 1.522 53.495 52.037 -0.107 0.000 0.620 52 A CB -0.066 18.864 19.000 -0.115 0.000 0.822 52 A HN 0.619 nan 8.150 nan 0.000 0.443 53 Q N -1.954 117.794 119.800 -0.086 0.000 2.870 53 Q HA 0.217 4.557 4.340 -0.000 0.000 0.366 53 Q C -1.302 174.670 176.000 -0.046 0.000 0.738 53 Q CA -0.533 55.239 55.803 -0.051 0.000 0.870 53 Q CB 0.686 29.403 28.738 -0.035 0.000 1.237 53 Q HN 0.594 nan 8.270 nan 0.000 0.497 54 D N 0.017 120.417 120.400 0.001 0.000 2.393 54 D HA -0.018 4.622 4.640 -0.000 0.000 0.246 54 D C 0.643 176.976 176.300 0.055 0.000 1.275 54 D CA -0.210 53.820 54.000 0.049 0.000 0.979 54 D CB 0.601 41.464 40.800 0.105 0.000 1.101 54 D HN 0.340 nan 8.370 nan 0.000 0.505 55 F N -0.038 119.892 119.950 -0.033 0.000 2.026 55 F HA -0.059 4.468 4.527 -0.000 0.000 0.296 55 F C 1.289 176.952 175.800 -0.228 0.000 1.133 55 F CA 0.847 58.748 58.000 -0.165 0.000 1.188 55 F CB -0.505 38.326 39.000 -0.282 0.000 0.968 55 F HN 0.186 nan 8.300 nan 0.000 0.476 56 F N 0.052 120.177 119.950 0.292 0.000 2.666 56 F HA 0.217 4.744 4.527 -0.000 0.000 0.362 56 F C 1.247 177.052 175.800 0.009 0.000 1.190 56 F CA 0.564 58.636 58.000 0.120 0.000 1.328 56 F CB -0.133 38.875 39.000 0.013 0.000 1.682 56 F HN -0.018 nan 8.300 nan 0.000 0.623 57 S N -1.306 114.458 115.700 0.106 0.000 2.842 57 S HA -0.042 4.428 4.470 -0.000 0.000 0.240 57 S C 1.551 176.147 174.600 -0.007 0.000 0.987 57 S CA 0.274 58.488 58.200 0.024 0.000 1.166 57 S CB -0.129 63.085 63.200 0.024 0.000 0.942 57 S HN 0.241 nan 8.310 nan 0.000 0.403 58 T N 0.552 115.091 114.554 -0.026 0.000 3.129 58 T HA 0.142 4.492 4.350 -0.000 0.000 0.251 58 T C 1.364 176.063 174.700 -0.001 0.000 1.117 58 T CA 0.853 62.910 62.100 -0.073 0.000 1.034 58 T CB 0.002 68.758 68.868 -0.187 0.000 0.968 58 T HN 0.575 nan 8.240 nan 0.000 0.526 59 C N 0.849 120.195 119.300 0.076 0.000 2.628 59 C HA 0.313 4.773 4.460 -0.000 0.000 0.393 59 C C 2.280 177.385 174.990 0.192 0.000 1.328 59 C CA -0.251 58.890 59.018 0.204 0.000 2.079 59 C CB -0.491 27.395 27.740 0.243 0.000 2.663 59 C HN 0.367 nan 8.230 nan 0.000 0.557 60 R N 1.121 121.632 120.500 0.018 0.000 2.323 60 R HA 0.060 4.400 4.340 -0.000 0.000 0.198 60 R C 0.617 176.919 176.300 0.004 0.000 0.988 60 R CA 0.454 56.447 56.100 -0.177 0.000 1.041 60 R CB -0.035 30.025 30.300 -0.400 0.000 0.926 60 R HN 0.478 nan 8.270 nan 0.000 0.476 61 S N 0.755 116.489 115.700 0.056 0.000 2.461 61 S HA 0.249 4.719 4.470 -0.000 0.000 0.322 61 S C -1.944 172.713 174.600 0.096 0.000 1.063 61 S CA -2.036 56.198 58.200 0.057 0.000 1.120 61 S CB 1.373 64.584 63.200 0.017 0.000 0.968 61 S HN -0.129 nan 8.310 nan 0.000 0.467 62 P HA -0.162 nan 4.420 nan 0.000 0.216 62 P C 1.331 178.684 177.300 0.089 0.000 1.157 62 P CA 1.196 64.368 63.100 0.119 0.000 0.880 62 P CB 0.178 31.946 31.700 0.114 0.000 0.791 63 E N -0.830 119.406 120.200 0.060 0.000 2.110 63 E HA -0.147 4.203 4.350 -0.000 0.000 0.193 63 E C 2.033 178.645 176.600 0.020 0.000 0.988 63 E CA 1.413 57.835 56.400 0.037 0.000 0.804 63 E CB -0.685 29.027 29.700 0.020 0.000 0.745 63 E HN 0.195 nan 8.360 nan 0.000 0.458 64 A N 0.782 123.610 122.820 0.014 0.000 1.873 64 A HA -0.158 4.162 4.320 -0.000 0.000 0.215 64 A C 2.595 180.178 177.584 -0.003 0.000 1.186 64 A CA 1.243 53.264 52.037 -0.026 0.000 0.616 64 A CB -0.855 18.119 19.000 -0.044 0.000 0.823 64 A HN 0.324 nan 8.150 nan 0.000 0.442 65 C N -1.587 117.769 119.300 0.095 0.000 2.440 65 C HA -0.119 4.341 4.460 -0.000 0.000 0.278 65 C C 3.001 178.090 174.990 0.165 0.000 1.295 65 C CA 0.686 59.830 59.018 0.210 0.000 1.738 65 C CB -1.603 26.305 27.740 0.281 0.000 1.987 65 C HN 0.789 nan 8.230 nan 0.000 0.492 66 C N 1.244 120.609 119.300 0.109 0.000 2.429 66 C HA -0.130 4.330 4.460 -0.000 0.000 0.277 66 C C 2.746 177.769 174.990 0.054 0.000 1.262 66 C CA 2.056 61.126 59.018 0.086 0.000 1.733 66 C CB -1.332 26.449 27.740 0.069 0.000 2.010 66 C HN 0.685 nan 8.230 nan 0.000 0.483 67 E N 0.689 120.900 120.200 0.018 0.000 2.077 67 E HA -0.141 4.209 4.350 -0.000 0.000 0.193 67 E C 2.020 178.602 176.600 -0.030 0.000 0.989 67 E CA 1.681 58.070 56.400 -0.019 0.000 0.800 67 E CB -0.625 29.042 29.700 -0.055 0.000 0.746 67 E HN 0.721 nan 8.360 nan 0.000 0.452 68 L N 0.082 121.271 121.223 -0.058 0.000 2.083 68 L HA -0.156 4.184 4.340 -0.000 0.000 0.209 68 L C 2.463 179.381 176.870 0.080 0.000 1.083 68 L CA 1.683 56.475 54.840 -0.080 0.000 0.752 68 L CB -0.652 41.198 42.059 -0.347 0.000 0.899 68 L HN 0.224 nan 8.230 nan 0.000 0.433 69 T N 0.182 114.819 114.554 0.139 0.000 2.777 69 T HA -0.128 4.221 4.350 -0.000 0.000 0.266 69 T C 1.916 176.675 174.700 0.098 0.000 1.040 69 T CA 1.163 63.361 62.100 0.163 0.000 1.141 69 T CB -0.187 68.774 68.868 0.156 0.000 0.868 69 T HN 0.208 nan 8.240 nan 0.000 0.444 70 L N 0.674 121.932 121.223 0.059 0.000 2.291 70 L HA -0.031 4.309 4.340 -0.000 0.000 0.214 70 L C 2.814 179.693 176.870 0.014 0.000 1.120 70 L CA 0.829 55.688 54.840 0.032 0.000 0.799 70 L CB -0.608 41.461 42.059 0.016 0.000 0.925 70 L HN 0.306 nan 8.230 nan 0.000 0.446 71 Q N 0.394 120.199 119.800 0.009 0.000 2.045 71 Q HA -0.207 4.133 4.340 -0.000 0.000 0.206 71 Q C -0.437 175.537 176.000 -0.043 0.000 0.991 71 Q CA 2.100 57.888 55.803 -0.026 0.000 0.851 71 Q CB -1.047 27.675 28.738 -0.027 0.000 0.911 71 Q HN 0.449 nan 8.270 nan 0.000 0.418 72 P HA -0.160 nan 4.420 nan 0.000 0.218 72 P C 1.183 178.497 177.300 0.024 0.000 1.149 72 P CA 1.190 64.341 63.100 0.085 0.000 0.817 72 P CB -0.079 31.797 31.700 0.293 0.000 0.785 73 L N -0.756 120.497 121.223 0.049 0.000 2.265 73 L HA -0.068 4.272 4.340 -0.000 0.000 0.215 73 L C 2.845 179.697 176.870 -0.030 0.000 1.117 73 L CA 1.138 56.003 54.840 0.041 0.000 0.782 73 L CB -0.548 41.537 42.059 0.042 0.000 0.914 73 L HN -0.081 nan 8.230 nan 0.000 0.441 74 R N -0.613 119.835 120.500 -0.087 0.000 2.153 74 R HA -0.027 4.313 4.340 -0.000 0.000 0.218 74 R C 2.248 178.429 176.300 -0.199 0.000 1.072 74 R CA 0.669 56.703 56.100 -0.111 0.000 0.990 74 R CB -0.002 30.237 30.300 -0.102 0.000 0.889 74 R HN 0.352 nan 8.270 nan 0.000 0.452 75 R N -0.550 119.711 120.500 -0.398 0.000 2.105 75 R HA 0.130 4.469 4.340 -0.000 0.000 0.214 75 R C -0.013 175.911 176.300 -0.626 0.000 1.091 75 R CA 0.693 56.363 56.100 -0.717 0.000 1.007 75 R CB 0.355 29.787 30.300 -1.447 0.000 0.912 75 R HN 0.013 nan 8.270 nan 0.000 0.450 76 F N 0.784 120.771 119.950 0.062 0.000 2.563 76 F HA 0.369 4.896 4.527 -0.000 0.000 0.316 76 F C -1.983 173.858 175.800 0.068 0.000 1.076 76 F CA -2.956 55.082 58.000 0.063 0.000 0.921 76 F CB 1.530 40.575 39.000 0.075 0.000 1.209 76 F HN -0.224 nan 8.300 nan 0.000 0.462 77 P HA 0.136 nan 4.420 nan 0.000 0.225 77 P C -0.467 176.990 177.300 0.261 0.000 1.768 77 P CA 0.235 63.456 63.100 0.203 0.000 0.943 77 P CB -0.162 31.643 31.700 0.175 0.000 1.936 78 L N 0.959 122.320 121.223 0.231 0.000 2.461 78 L HA 0.091 4.431 4.340 -0.000 0.000 0.272 78 L C 1.548 178.530 176.870 0.186 0.000 1.197 78 L CA 0.337 55.303 54.840 0.209 0.000 0.836 78 L CB 0.296 42.482 42.059 0.211 0.000 1.105 78 L HN 0.052 nan 8.230 nan 0.000 0.477 79 D N 1.825 122.348 120.400 0.204 0.000 2.328 79 D HA 0.291 4.931 4.640 -0.000 0.000 0.221 79 D C 0.122 176.408 176.300 -0.022 0.000 1.072 79 D CA 0.361 54.466 54.000 0.175 0.000 0.850 79 D CB 0.692 41.675 40.800 0.306 0.000 0.922 79 D HN 0.549 nan 8.370 nan 0.000 0.516 80 A N 0.093 122.819 122.820 -0.157 0.000 2.597 80 A HA 0.667 4.987 4.320 -0.000 0.000 0.292 80 A C -1.635 175.744 177.584 -0.342 0.000 1.057 80 A CA -0.538 51.214 52.037 -0.476 0.000 0.674 80 A CB 1.299 19.515 19.000 -1.307 0.000 1.278 80 A HN 0.037 nan 8.150 nan 0.000 0.416 81 A N 0.566 123.176 122.820 -0.350 0.000 2.374 81 A HA 0.837 5.157 4.320 -0.000 0.000 0.317 81 A C -0.787 176.625 177.584 -0.287 0.000 1.094 81 A CA -0.399 51.520 52.037 -0.197 0.000 0.765 81 A CB 0.958 19.906 19.000 -0.086 0.000 1.268 81 A HN 1.770 nan 8.150 nan 0.000 0.438 82 I N 2.745 123.220 120.570 -0.158 0.000 2.465 82 I HA 0.402 4.572 4.170 -0.000 0.000 0.291 82 I C -0.420 175.750 176.117 0.089 0.000 1.014 82 I CA -1.094 60.137 61.300 -0.115 0.000 1.093 82 I CB 0.924 38.834 38.000 -0.151 0.000 1.267 82 I HN 0.724 nan 8.210 nan 0.000 0.431 83 I N 7.389 128.050 120.570 0.152 0.000 2.752 83 I HA -0.056 4.114 4.170 -0.000 0.000 0.289 83 I C -0.793 175.526 176.117 0.337 0.000 1.197 83 I CA 0.444 61.875 61.300 0.219 0.000 1.432 83 I CB 0.432 38.534 38.000 0.170 0.000 1.359 83 I HN 0.589 nan 8.210 nan 0.000 0.571 84 F N 7.990 128.077 119.950 0.229 0.000 2.456 84 F HA 0.382 4.909 4.527 -0.000 0.000 0.358 84 F C 0.126 176.107 175.800 0.302 0.000 1.095 84 F CA 0.364 58.524 58.000 0.267 0.000 1.216 84 F CB 0.734 39.861 39.000 0.212 0.000 1.125 84 F HN 0.503 nan 8.300 nan 0.000 0.549 85 S N 3.455 118.678 115.700 -0.795 0.000 2.567 85 S HA 0.405 4.875 4.470 -0.000 0.000 0.270 85 S C -2.113 172.232 174.600 -0.425 0.000 1.152 85 S CA -0.985 56.941 58.200 -0.456 0.000 0.835 85 S CB 0.979 64.106 63.200 -0.122 0.000 1.115 85 S HN 0.628 nan 8.310 nan 0.000 0.459 86 D N 3.404 123.695 120.400 -0.181 0.000 2.168 86 D HA 0.413 5.053 4.640 -0.000 0.000 0.246 86 D C 1.849 178.090 176.300 -0.099 0.000 1.050 86 D CA -0.841 53.095 54.000 -0.107 0.000 0.857 86 D CB 0.422 41.065 40.800 -0.262 0.000 1.169 86 D HN 0.324 nan 8.370 nan 0.000 0.453 87 I N 0.812 121.302 120.570 -0.134 0.000 2.148 87 I HA -0.329 3.841 4.170 -0.000 0.000 0.229 87 I C 2.003 178.053 176.117 -0.112 0.000 0.993 87 I CA 1.443 62.663 61.300 -0.133 0.000 1.295 87 I CB -1.331 36.466 38.000 -0.338 0.000 1.004 87 I HN 0.483 nan 8.210 nan 0.000 0.386 88 L N 1.666 122.792 121.223 -0.163 0.000 2.814 88 L HA -0.090 4.250 4.340 -0.000 0.000 0.248 88 L C 2.363 179.280 176.870 0.078 0.000 1.169 88 L CA -0.030 54.785 54.840 -0.041 0.000 0.872 88 L CB -1.024 40.924 42.059 -0.184 0.000 1.029 88 L HN 0.321 nan 8.230 nan 0.000 0.452 89 V N -4.178 115.783 119.914 0.078 0.000 2.407 89 V HA -0.200 3.920 4.120 -0.000 0.000 0.248 89 V C 2.197 178.236 176.094 -0.093 0.000 1.055 89 V CA 1.515 63.850 62.300 0.058 0.000 1.049 89 V CB -0.648 31.177 31.823 0.004 0.000 0.662 89 V HN 0.230 nan 8.190 nan 0.000 0.455 90 V N 0.803 120.631 119.914 -0.143 0.000 2.270 90 V HA -0.059 4.061 4.120 -0.000 0.000 0.245 90 V C 0.525 176.567 176.094 -0.087 0.000 1.043 90 V CA 2.582 64.768 62.300 -0.190 0.000 1.014 90 V CB -1.833 29.903 31.823 -0.146 0.000 0.645 90 V HN 0.487 nan 8.190 nan 0.000 0.447 91 P HA -0.197 nan 4.420 nan 0.000 0.216 91 P C 1.773 179.066 177.300 -0.013 0.000 1.150 91 P CA 1.478 64.570 63.100 -0.014 0.000 0.837 91 P CB 0.011 31.789 31.700 0.130 0.000 0.786 92 Q N -0.371 119.451 119.800 0.037 0.000 2.050 92 Q HA -0.162 4.178 4.340 -0.000 0.000 0.202 92 Q C 2.043 178.010 176.000 -0.055 0.000 0.980 92 Q CA 1.853 57.644 55.803 -0.020 0.000 0.840 92 Q CB -0.698 27.977 28.738 -0.105 0.000 0.898 92 Q HN 0.091 nan 8.270 nan 0.000 0.424 93 A N 0.316 123.097 122.820 -0.065 0.000 2.070 93 A HA -0.112 4.208 4.320 -0.000 0.000 0.220 93 A C 1.848 179.392 177.584 -0.067 0.000 1.159 93 A CA 0.870 52.864 52.037 -0.073 0.000 0.656 93 A CB -0.428 18.491 19.000 -0.134 0.000 0.800 93 A HN 0.461 nan 8.150 nan 0.000 0.453 94 L N -1.772 119.408 121.223 -0.072 0.000 2.554 94 L HA 0.169 4.509 4.340 -0.000 0.000 0.226 94 L C 1.637 178.467 176.870 -0.067 0.000 1.137 94 L CA 0.692 55.492 54.840 -0.067 0.000 0.863 94 L CB 0.121 42.132 42.059 -0.079 0.000 0.985 94 L HN 0.589 nan 8.230 nan 0.000 0.451 95 G N -0.928 107.832 108.800 -0.067 0.000 2.192 95 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.193 95 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.193 95 G C 0.187 175.042 174.900 -0.074 0.000 0.999 95 G CA -0.534 44.528 45.100 -0.063 0.000 0.659 95 G HN 0.114 nan 8.290 nan 0.000 0.503 96 M N 1.390 120.936 119.600 -0.090 0.000 2.277 96 M HA 0.413 4.893 4.480 -0.000 0.000 0.350 96 M C -0.180 176.141 176.300 0.035 0.000 1.180 96 M CA -0.408 54.837 55.300 -0.091 0.000 1.103 96 M CB 1.068 33.464 32.600 -0.340 0.000 1.577 96 M HN -0.024 nan 8.290 nan 0.000 0.459 97 E N 2.629 122.865 120.200 0.059 0.000 2.200 97 E HA 0.355 4.705 4.350 -0.000 0.000 0.283 97 E C -0.972 175.672 176.600 0.075 0.000 1.015 97 E CA -0.285 56.130 56.400 0.024 0.000 0.819 97 E CB 1.508 31.204 29.700 -0.007 0.000 1.081 97 E HN 0.341 nan 8.360 nan 0.000 0.397 98 V N 2.296 122.118 119.914 -0.152 0.000 2.630 98 V HA 0.385 4.505 4.120 -0.000 0.000 0.305 98 V C 0.569 176.539 176.094 -0.206 0.000 1.046 98 V CA -0.704 61.410 62.300 -0.310 0.000 0.934 98 V CB 1.718 33.161 31.823 -0.633 0.000 1.003 98 V HN 0.785 nan 8.190 nan 0.000 0.451 99 T N 0.989 115.460 114.554 -0.139 0.000 3.466 99 T HA 0.384 4.734 4.350 -0.000 0.000 0.297 99 T C -0.338 174.355 174.700 -0.012 0.000 1.640 99 T CA -0.502 61.569 62.100 -0.049 0.000 1.631 99 T CB 0.079 68.931 68.868 -0.027 0.000 0.928 99 T HN 0.390 nan 8.240 nan 0.000 0.688 100 M N 4.472 124.105 119.600 0.055 0.000 2.513 100 M HA 0.292 4.772 4.480 -0.000 0.000 0.341 100 M C -0.048 176.311 176.300 0.097 0.000 1.689 100 M CA -0.469 54.884 55.300 0.088 0.000 1.202 100 M CB -0.518 32.193 32.600 0.185 0.000 1.996 100 M HN 0.567 nan 8.290 nan 0.000 0.458 101 V N 5.205 125.156 119.914 0.062 0.000 2.850 101 V HA 0.678 4.798 4.120 -0.000 0.000 0.315 101 V C -1.813 174.326 176.094 0.074 0.000 1.064 101 V CA -1.318 61.019 62.300 0.061 0.000 0.979 101 V CB 1.062 32.907 31.823 0.037 0.000 1.039 101 V HN 0.753 nan 8.190 nan 0.000 0.452 102 P HA -0.002 nan 4.420 nan 0.000 0.219 102 P C 1.376 178.709 177.300 0.056 0.000 1.150 102 P CA 1.864 65.003 63.100 0.065 0.000 0.814 102 P CB 0.101 31.829 31.700 0.046 0.000 0.787 103 G N 0.939 109.765 108.800 0.043 0.000 2.456 103 G HA2 -0.136 3.824 3.960 -0.000 0.000 0.213 103 G HA3 -0.136 3.824 3.960 -0.000 0.000 0.213 103 G C 1.652 176.575 174.900 0.038 0.000 1.215 103 G CA 0.606 45.728 45.100 0.036 0.000 0.805 103 G HN 0.233 nan 8.290 nan 0.000 0.537 104 K N -0.154 120.267 120.400 0.035 0.000 2.007 104 K HA 0.323 4.643 4.320 -0.000 0.000 0.206 104 K C 1.608 178.230 176.600 0.038 0.000 1.047 104 K CA 0.766 57.073 56.287 0.032 0.000 0.937 104 K CB -0.185 32.329 32.500 0.023 0.000 0.718 104 K HN 0.522 nan 8.250 nan 0.000 0.438 105 G N 0.555 109.377 108.800 0.037 0.000 2.715 105 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.221 105 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.221 105 G C -2.677 172.202 174.900 -0.035 0.000 1.204 105 G CA -0.448 44.674 45.100 0.036 0.000 1.063 105 G HN 0.104 nan 8.290 nan 0.000 0.586 106 P HA 0.462 nan 4.420 nan 0.000 0.271 106 P C -0.586 176.585 177.300 -0.215 0.000 1.233 106 P CA 0.992 63.955 63.100 -0.228 0.000 0.764 106 P CB 1.414 32.936 31.700 -0.297 0.000 0.825 107 S N 3.309 118.823 115.700 -0.309 0.000 2.533 107 S HA 0.615 5.085 4.470 -0.000 0.000 0.271 107 S C -1.688 172.686 174.600 -0.377 0.000 1.143 107 S CA -0.597 57.447 58.200 -0.260 0.000 0.891 107 S CB 0.604 63.750 63.200 -0.090 0.000 1.105 107 S HN 0.172 nan 8.310 nan 0.000 0.468 108 F N 4.838 124.772 119.950 -0.026 0.000 2.347 108 F HA 0.403 4.930 4.527 -0.000 0.000 0.366 108 F C -1.260 174.521 175.800 -0.032 0.000 1.107 108 F CA -1.858 56.115 58.000 -0.046 0.000 1.058 108 F CB 2.057 41.026 39.000 -0.051 0.000 1.236 108 F HN 0.466 nan 8.300 nan 0.000 0.456 109 P HA -0.154 nan 4.420 nan 0.000 0.219 109 P C -0.288 177.053 177.300 0.068 0.000 1.146 109 P CA 1.260 64.403 63.100 0.071 0.000 0.808 109 P CB 0.336 32.060 31.700 0.040 0.000 0.779 110 E N 0.222 120.469 120.200 0.079 0.000 2.593 110 E HA 0.345 4.695 4.350 -0.000 0.000 0.232 110 E C -2.558 174.042 176.600 0.001 0.000 1.026 110 E CA -1.998 54.423 56.400 0.034 0.000 0.772 110 E CB 0.644 30.352 29.700 0.013 0.000 1.310 110 E HN 0.239 nan 8.360 nan 0.000 0.413 111 P HA 0.140 nan 4.420 nan 0.000 0.274 111 P C -0.502 176.743 177.300 -0.092 0.000 1.246 111 P CA -0.519 62.539 63.100 -0.070 0.000 0.795 111 P CB 0.749 32.437 31.700 -0.021 0.000 1.006 112 L N 2.373 123.489 121.223 -0.178 0.000 2.331 112 L HA 0.274 4.614 4.340 -0.000 0.000 0.278 112 L C 1.488 178.366 176.870 0.012 0.000 1.106 112 L CA -0.057 54.713 54.840 -0.116 0.000 0.824 112 L CB 0.503 42.392 42.059 -0.282 0.000 1.142 112 L HN 0.391 nan 8.230 nan 0.000 0.443 113 R N 0.941 121.589 120.500 0.247 0.000 2.561 113 R HA 0.166 4.506 4.340 -0.000 0.000 0.213 113 R C 0.006 176.593 176.300 0.479 0.000 0.885 113 R CA -0.004 56.344 56.100 0.414 0.000 1.002 113 R CB 0.475 30.894 30.300 0.199 0.000 1.432 113 R HN 0.602 nan 8.270 nan 0.000 0.651 114 E N 0.907 121.293 120.200 0.309 0.000 2.235 114 E HA 0.146 4.495 4.350 -0.000 0.000 0.265 114 E C 0.562 177.236 176.600 0.124 0.000 0.940 114 E CA -0.258 56.198 56.400 0.093 0.000 0.819 114 E CB 1.786 31.512 29.700 0.043 0.000 1.206 114 E HN -0.010 nan 8.360 nan 0.000 0.409 115 E N 1.749 121.899 120.200 -0.084 0.000 2.153 115 E HA -0.286 4.064 4.350 -0.000 0.000 0.194 115 E C 1.428 178.070 176.600 0.070 0.000 0.988 115 E CA 1.187 57.573 56.400 -0.024 0.000 0.811 115 E CB 0.164 29.795 29.700 -0.114 0.000 0.746 115 E HN 0.698 nan 8.360 nan 0.000 0.466 116 Q N 0.268 120.092 119.800 0.039 0.000 2.226 116 Q HA -0.187 4.153 4.340 -0.000 0.000 0.204 116 Q C 1.159 177.191 176.000 0.054 0.000 0.975 116 Q CA 1.579 57.404 55.803 0.037 0.000 0.866 116 Q CB 0.075 28.826 28.738 0.020 0.000 0.915 116 Q HN 0.283 nan 8.270 nan 0.000 0.440 117 D N 0.458 120.909 120.400 0.085 0.000 2.309 117 D HA -0.139 4.501 4.640 -0.000 0.000 0.212 117 D C 1.646 177.974 176.300 0.046 0.000 0.968 117 D CA 0.705 54.745 54.000 0.067 0.000 0.882 117 D CB -0.025 40.830 40.800 0.092 0.000 0.918 117 D HN 0.381 nan 8.370 nan 0.000 0.503 118 L N 0.557 121.827 121.223 0.079 0.000 2.275 118 L HA -0.099 4.241 4.340 -0.000 0.000 0.215 118 L C 2.076 178.959 176.870 0.022 0.000 1.119 118 L CA 0.793 55.664 54.840 0.051 0.000 0.790 118 L CB -0.290 41.823 42.059 0.091 0.000 0.919 118 L HN -0.005 nan 8.230 nan 0.000 0.443 119 E N 0.596 120.810 120.200 0.024 0.000 2.204 119 E HA -0.212 4.138 4.350 -0.000 0.000 0.194 119 E C 1.965 178.565 176.600 0.000 0.000 0.989 119 E CA 0.843 57.251 56.400 0.013 0.000 0.824 119 E CB -0.024 29.685 29.700 0.014 0.000 0.756 119 E HN 0.577 nan 8.360 nan 0.000 0.477 120 R N 0.728 121.223 120.500 -0.009 0.000 2.323 120 R HA 0.079 4.419 4.340 -0.000 0.000 0.198 120 R C 0.583 176.863 176.300 -0.032 0.000 0.988 120 R CA 0.102 56.190 56.100 -0.020 0.000 1.041 120 R CB -0.281 30.003 30.300 -0.027 0.000 0.926 120 R HN 0.024 nan 8.270 nan 0.000 0.476 121 L N 1.974 123.178 121.223 -0.033 0.000 2.395 121 L HA 0.291 4.631 4.340 -0.000 0.000 0.269 121 L C 0.621 177.475 176.870 -0.026 0.000 1.133 121 L CA -0.697 54.118 54.840 -0.042 0.000 0.812 121 L CB 0.790 42.821 42.059 -0.047 0.000 1.125 121 L HN 0.112 nan 8.230 nan 0.000 0.452 122 R N 0.714 121.197 120.500 -0.028 0.000 2.615 122 R HA 0.070 4.410 4.340 -0.000 0.000 0.270 122 R C -0.263 176.033 176.300 -0.007 0.000 1.081 122 R CA -0.699 55.392 56.100 -0.016 0.000 1.154 122 R CB 0.480 30.769 30.300 -0.018 0.000 1.063 122 R HN 0.525 nan 8.270 nan 0.000 0.519 123 D N 2.880 123.281 120.400 0.003 0.000 2.450 123 D HA -0.011 4.629 4.640 -0.000 0.000 0.247 123 D C -1.343 174.965 176.300 0.014 0.000 1.162 123 D CA -1.504 52.504 54.000 0.012 0.000 0.879 123 D CB 1.128 41.938 40.800 0.017 0.000 1.163 123 D HN 0.257 nan 8.370 nan 0.000 0.472 124 P HA -0.163 nan 4.420 nan 0.000 0.220 124 P C 0.679 178.000 177.300 0.036 0.000 1.144 124 P CA 0.975 64.090 63.100 0.024 0.000 0.800 124 P CB 0.348 32.069 31.700 0.035 0.000 0.772 125 E N -0.048 120.175 120.200 0.038 0.000 2.338 125 E HA -0.051 4.299 4.350 -0.000 0.000 0.197 125 E C 1.739 178.366 176.600 0.046 0.000 1.007 125 E CA 1.151 57.578 56.400 0.045 0.000 0.849 125 E CB -0.122 29.602 29.700 0.039 0.000 0.774 125 E HN 0.320 nan 8.360 nan 0.000 0.506 126 V N -2.856 117.079 119.914 0.034 0.000 3.621 126 V HA 0.069 4.189 4.120 -0.000 0.000 0.285 126 V C 1.899 178.009 176.094 0.026 0.000 1.346 126 V CA 0.053 62.373 62.300 0.033 0.000 1.104 126 V CB 0.181 32.018 31.823 0.022 0.000 0.913 126 V HN -0.085 nan 8.190 nan 0.000 0.432 127 V N 1.566 121.491 119.914 0.019 0.000 2.343 127 V HA -0.163 3.957 4.120 -0.000 0.000 0.247 127 V C 3.143 179.232 176.094 -0.009 0.000 1.051 127 V CA 2.388 64.678 62.300 -0.017 0.000 1.036 127 V CB -1.110 30.690 31.823 -0.038 0.000 0.654 127 V HN 0.653 nan 8.190 nan 0.000 0.451 128 A N 0.958 123.830 122.820 0.087 0.000 1.908 128 A HA -0.245 4.075 4.320 -0.000 0.000 0.218 128 A C 2.519 180.214 177.584 0.186 0.000 1.181 128 A CA 2.472 54.643 52.037 0.223 0.000 0.627 128 A CB -0.801 18.381 19.000 0.305 0.000 0.818 128 A HN 0.707 nan 8.150 nan 0.000 0.445 129 S N -0.636 115.138 115.700 0.123 0.000 2.447 129 S HA -0.091 4.379 4.470 -0.000 0.000 0.233 129 S C 1.442 176.069 174.600 0.046 0.000 1.006 129 S CA 1.166 59.427 58.200 0.102 0.000 0.957 129 S CB -0.206 63.042 63.200 0.081 0.000 0.773 129 S HN 0.551 nan 8.310 nan 0.000 0.507 130 E N 1.119 121.321 120.200 0.004 0.000 2.299 130 E HA 0.195 4.545 4.350 -0.000 0.000 0.193 130 E C 1.219 177.795 176.600 -0.040 0.000 0.998 130 E CA 0.404 56.803 56.400 -0.001 0.000 0.851 130 E CB -0.104 29.586 29.700 -0.016 0.000 0.795 130 E HN 0.569 nan 8.360 nan 0.000 0.492 131 L N 0.131 121.204 121.223 -0.250 0.000 2.791 131 L HA 0.231 4.571 4.340 -0.000 0.000 0.239 131 L C 1.865 178.171 176.870 -0.940 0.000 1.203 131 L CA -0.180 54.267 54.840 -0.654 0.000 1.002 131 L CB 0.272 41.856 42.059 -0.791 0.000 1.295 131 L HN 0.047 nan 8.230 nan 0.000 0.504 132 G N 0.633 109.184 108.800 -0.415 0.000 2.475 132 G HA2 -0.347 3.613 3.960 -0.000 0.000 0.220 132 G HA3 -0.347 3.613 3.960 -0.000 0.000 0.220 132 G C 1.341 176.154 174.900 -0.145 0.000 1.125 132 G CA 1.232 46.216 45.100 -0.193 0.000 0.755 132 G HN 0.624 nan 8.290 nan 0.000 0.565 133 Y N -0.037 120.194 120.300 -0.114 0.000 2.333 133 Y HA 0.077 4.627 4.550 -0.000 0.000 0.290 133 Y C 2.391 178.272 175.900 -0.031 0.000 1.144 133 Y CA 0.743 58.822 58.100 -0.035 0.000 1.228 133 Y CB -0.688 37.764 38.460 -0.014 0.000 0.985 133 Y HN 0.012 nan 8.280 nan 0.000 0.542 134 V N 0.813 120.317 119.914 -0.685 0.000 2.358 134 V HA -0.240 3.880 4.120 -0.000 0.000 0.246 134 V C 2.256 178.314 176.094 -0.060 0.000 1.047 134 V CA 1.914 63.979 62.300 -0.392 0.000 1.035 134 V CB -0.934 30.585 31.823 -0.507 0.000 0.658 134 V HN 0.512 nan 8.190 nan 0.000 0.452 135 F N 0.099 120.025 119.950 -0.040 0.000 2.171 135 F HA -0.246 4.281 4.527 -0.000 0.000 0.300 135 F C 2.702 178.529 175.800 0.045 0.000 1.090 135 F CA 1.309 59.313 58.000 0.007 0.000 1.293 135 F CB -0.334 38.681 39.000 0.024 0.000 1.013 135 F HN 0.171 nan 8.300 nan 0.000 0.486 136 Q N 0.412 120.351 119.800 0.231 0.000 2.119 136 Q HA -0.145 4.195 4.340 -0.000 0.000 0.201 136 Q C 2.528 178.621 176.000 0.155 0.000 0.972 136 Q CA 1.255 57.167 55.803 0.182 0.000 0.847 136 Q CB -0.346 28.488 28.738 0.160 0.000 0.903 136 Q HN 0.445 nan 8.270 nan 0.000 0.433 137 A N 0.772 123.678 122.820 0.144 0.000 1.930 137 A HA -0.143 4.177 4.320 -0.000 0.000 0.217 137 A C 2.013 179.668 177.584 0.118 0.000 1.175 137 A CA 0.959 53.076 52.037 0.133 0.000 0.627 137 A CB -0.497 18.591 19.000 0.147 0.000 0.815 137 A HN 0.278 nan 8.150 nan 0.000 0.443 138 I N -0.522 120.118 120.570 0.117 0.000 2.202 138 I HA -0.219 3.951 4.170 -0.000 0.000 0.242 138 I C 2.617 178.766 176.117 0.053 0.000 1.091 138 I CA 1.766 63.112 61.300 0.076 0.000 1.368 138 I CB -0.597 37.449 38.000 0.077 0.000 1.058 138 I HN 0.246 nan 8.210 nan 0.000 0.410 139 T N 1.224 115.850 114.554 0.121 0.000 2.684 139 T HA -0.197 4.152 4.350 -0.000 0.000 0.267 139 T C 1.862 176.683 174.700 0.203 0.000 1.036 139 T CA 1.380 63.607 62.100 0.211 0.000 1.148 139 T CB -0.391 68.649 68.868 0.286 0.000 0.863 139 T HN 0.159 nan 8.240 nan 0.000 0.436 140 L N 1.181 122.494 121.223 0.151 0.000 2.042 140 L HA -0.095 4.244 4.340 -0.000 0.000 0.210 140 L C 2.481 179.409 176.870 0.096 0.000 1.076 140 L CA 1.896 56.809 54.840 0.122 0.000 0.749 140 L CB -1.245 40.875 42.059 0.103 0.000 0.893 140 L HN 0.212 nan 8.230 nan 0.000 0.432 141 T N -0.950 113.650 114.554 0.075 0.000 2.821 141 T HA -0.200 4.150 4.350 -0.000 0.000 0.267 141 T C 1.973 176.685 174.700 0.020 0.000 1.046 141 T CA 1.482 63.611 62.100 0.049 0.000 1.139 141 T CB -0.249 68.648 68.868 0.048 0.000 0.871 141 T HN 0.255 nan 8.240 nan 0.000 0.454 142 R N 1.168 121.658 120.500 -0.017 0.000 2.081 142 R HA -0.030 4.309 4.340 -0.000 0.000 0.235 142 R C 2.490 178.818 176.300 0.046 0.000 1.131 142 R CA 1.325 57.367 56.100 -0.096 0.000 0.960 142 R CB -0.357 29.695 30.300 -0.413 0.000 0.856 142 R HN 0.295 nan 8.270 nan 0.000 0.436 143 Q N 0.032 119.926 119.800 0.157 0.000 2.046 143 Q HA -0.084 4.256 4.340 -0.000 0.000 0.200 143 Q C 2.009 178.070 176.000 0.102 0.000 0.975 143 Q CA 1.270 57.185 55.803 0.187 0.000 0.836 143 Q CB -0.147 28.700 28.738 0.181 0.000 0.896 143 Q HN 0.307 nan 8.270 nan 0.000 0.428 144 R N 0.554 121.099 120.500 0.075 0.000 2.148 144 R HA 0.009 4.349 4.340 -0.000 0.000 0.227 144 R C 2.323 178.646 176.300 0.038 0.000 1.103 144 R CA 0.458 56.588 56.100 0.050 0.000 0.983 144 R CB -0.578 29.748 30.300 0.043 0.000 0.874 144 R HN 0.284 nan 8.270 nan 0.000 0.451 145 L N 0.480 121.722 121.223 0.032 0.000 2.201 145 L HA -0.039 4.301 4.340 -0.000 0.000 0.212 145 L C 1.021 177.907 176.870 0.026 0.000 1.105 145 L CA 0.874 55.726 54.840 0.019 0.000 0.775 145 L CB -0.339 41.720 42.059 -0.000 0.000 0.913 145 L HN 0.233 nan 8.230 nan 0.000 0.440 146 A N -0.042 122.802 122.820 0.042 0.000 2.832 146 A HA -0.181 4.139 4.320 -0.000 0.000 0.280 146 A C 1.308 178.917 177.584 0.043 0.000 1.464 146 A CA 0.792 52.858 52.037 0.048 0.000 0.804 146 A CB -2.163 16.860 19.000 0.038 0.000 1.020 146 A HN 0.989 nan 8.150 nan 0.000 0.563 147 G N -1.610 107.213 108.800 0.037 0.000 2.153 147 G HA2 -0.397 3.563 3.960 -0.000 0.000 0.252 147 G HA3 -0.397 3.563 3.960 -0.000 0.000 0.252 147 G C 0.809 175.725 174.900 0.027 0.000 0.994 147 G CA 1.462 46.582 45.100 0.033 0.000 0.698 147 G HN 1.438 nan 8.290 nan 0.000 0.521 148 R N -0.184 120.329 120.500 0.022 0.000 2.082 148 R HA 0.149 4.489 4.340 -0.000 0.000 0.234 148 R C 1.425 177.741 176.300 0.027 0.000 1.136 148 R CA 2.498 58.613 56.100 0.024 0.000 0.935 148 R CB -0.180 30.132 30.300 0.020 0.000 0.842 148 R HN 1.050 nan 8.270 nan 0.000 0.430 149 V N -3.776 116.144 119.914 0.010 0.000 3.160 149 V HA 0.580 4.700 4.120 -0.000 0.000 0.310 149 V C -2.788 173.285 176.094 -0.035 0.000 1.181 149 V CA -2.870 59.431 62.300 0.002 0.000 1.047 149 V CB 1.689 33.505 31.823 -0.012 0.000 1.068 149 V HN 0.035 nan 8.190 nan 0.000 0.441 150 P HA 0.428 nan 4.420 nan 0.000 0.272 150 P C -1.141 176.051 177.300 -0.180 0.000 1.230 150 P CA -0.206 62.852 63.100 -0.070 0.000 0.788 150 P CB 0.509 32.231 31.700 0.037 0.000 0.949 151 L N 3.136 124.267 121.223 -0.153 0.000 2.305 151 L HA 0.405 4.745 4.340 -0.000 0.000 0.284 151 L C -1.099 175.666 176.870 -0.175 0.000 1.013 151 L CA -0.453 54.283 54.840 -0.173 0.000 0.819 151 L CB 0.355 42.336 42.059 -0.131 0.000 1.227 151 L HN 0.122 nan 8.230 nan 0.000 0.417 152 I N 4.765 125.186 120.570 -0.248 0.000 2.331 152 I HA 0.512 4.681 4.170 -0.000 0.000 0.292 152 I C 0.947 177.047 176.117 -0.027 0.000 0.998 152 I CA -0.446 60.736 61.300 -0.197 0.000 1.267 152 I CB 0.630 38.364 38.000 -0.443 0.000 1.386 152 I HN 0.689 nan 8.210 nan 0.000 0.476 153 G N 5.394 114.211 108.800 0.029 0.000 2.491 153 G HA2 0.754 4.713 3.960 -0.000 0.000 0.327 153 G HA3 0.754 4.713 3.960 -0.000 0.000 0.327 153 G C -1.054 173.985 174.900 0.233 0.000 1.189 153 G CA -0.369 44.779 45.100 0.080 0.000 0.956 153 G HN 0.578 nan 8.290 nan 0.000 0.491 154 F N -1.659 118.308 119.950 0.028 0.000 2.779 154 F HA 0.868 5.395 4.527 -0.000 0.000 0.316 154 F C -0.541 175.345 175.800 0.144 0.000 1.164 154 F CA -0.930 57.163 58.000 0.154 0.000 0.924 154 F CB 1.270 40.496 39.000 0.376 0.000 1.348 154 F HN 1.097 nan 8.300 nan 0.000 0.467 155 A N 0.905 123.927 122.820 0.336 0.000 2.586 155 A HA 0.579 4.899 4.320 -0.000 0.000 0.291 155 A C -2.283 175.615 177.584 0.523 0.000 1.062 155 A CA -0.801 51.394 52.037 0.263 0.000 0.666 155 A CB 1.165 20.302 19.000 0.229 0.000 1.281 155 A HN 0.736 nan 8.150 nan 0.000 0.421 156 D N 0.833 121.472 120.400 0.399 0.000 2.225 156 D HA 0.610 5.250 4.640 -0.000 0.000 0.249 156 D C 0.610 177.089 176.300 0.298 0.000 1.052 156 D CA 0.679 54.912 54.000 0.387 0.000 0.909 156 D CB 1.772 42.748 40.800 0.294 0.000 1.186 156 D HN 0.866 nan 8.370 nan 0.000 0.431 157 A N 2.743 125.732 122.820 0.281 0.000 2.366 157 A HA 0.323 4.643 4.320 -0.000 0.000 0.249 157 A C -1.433 176.264 177.584 0.188 0.000 1.084 157 A CA -0.762 51.418 52.037 0.237 0.000 0.794 157 A CB 0.028 19.168 19.000 0.234 0.000 1.034 157 A HN 0.374 nan 8.150 nan 0.000 0.491 158 P HA -0.213 nan 4.420 nan 0.000 0.216 158 P C 1.547 178.906 177.300 0.099 0.000 1.157 158 P CA 1.876 65.038 63.100 0.104 0.000 0.880 158 P CB -0.177 31.569 31.700 0.076 0.000 0.791 159 W N 0.125 121.427 121.300 0.003 0.000 2.355 159 W HA -0.173 4.487 4.660 -0.000 0.000 0.309 159 W C 1.471 177.995 176.519 0.008 0.000 1.206 159 W CA 1.878 59.217 57.345 -0.010 0.000 1.284 159 W CB -1.158 28.312 29.460 0.017 0.000 1.145 159 W HN -0.069 nan 8.180 nan 0.000 0.502 160 T N 2.366 116.796 114.554 -0.207 0.000 2.759 160 T HA -0.201 4.149 4.350 -0.000 0.000 0.269 160 T C 1.958 176.511 174.700 -0.245 0.000 1.042 160 T CA 1.830 63.716 62.100 -0.358 0.000 1.140 160 T CB -0.549 68.246 68.868 -0.121 0.000 0.864 160 T HN 0.159 nan 8.240 nan 0.000 0.455 161 L N 0.375 121.570 121.223 -0.047 0.000 2.093 161 L HA 0.006 4.346 4.340 -0.000 0.000 0.208 161 L C 2.615 179.438 176.870 -0.079 0.000 1.085 161 L CA 1.078 55.954 54.840 0.061 0.000 0.755 161 L CB -0.483 41.615 42.059 0.065 0.000 0.904 161 L HN 0.339 nan 8.230 nan 0.000 0.435 162 M N 0.038 119.500 119.600 -0.230 0.000 2.159 162 M HA -0.202 4.278 4.480 -0.000 0.000 0.263 162 M C 2.380 178.388 176.300 -0.487 0.000 1.063 162 M CA 2.300 57.396 55.300 -0.341 0.000 1.110 162 M CB -0.217 32.206 32.600 -0.294 0.000 1.374 162 M HN 0.365 nan 8.290 nan 0.000 0.411 163 T N -1.722 112.417 114.554 -0.691 0.000 2.788 163 T HA -0.200 4.150 4.350 -0.000 0.000 0.268 163 T C 1.536 176.005 174.700 -0.385 0.000 1.044 163 T CA 1.486 63.177 62.100 -0.682 0.000 1.139 163 T CB -1.113 67.279 68.868 -0.792 0.000 0.867 163 T HN 0.607 nan 8.240 nan 0.000 0.454 164 Y N 1.156 121.379 120.300 -0.129 0.000 2.242 164 Y HA 0.129 4.679 4.550 -0.000 0.000 0.291 164 Y C 2.810 178.765 175.900 0.093 0.000 1.137 164 Y CA 1.015 59.150 58.100 0.057 0.000 1.181 164 Y CB -0.373 38.180 38.460 0.155 0.000 0.989 164 Y HN 0.161 nan 8.280 nan 0.000 0.527 165 M N -1.358 118.238 119.600 -0.007 0.000 2.254 165 M HA -0.161 4.319 4.480 -0.000 0.000 0.265 165 M C 1.816 177.907 176.300 -0.348 0.000 1.066 165 M CA 1.039 56.127 55.300 -0.353 0.000 1.123 165 M CB -0.204 32.140 32.600 -0.426 0.000 1.388 165 M HN 0.076 nan 8.290 nan 0.000 0.425 166 V N -0.464 119.228 119.914 -0.370 0.000 2.500 166 V HA -0.078 4.042 4.120 -0.000 0.000 0.243 166 V C 2.214 178.178 176.094 -0.216 0.000 1.039 166 V CA 1.214 63.258 62.300 -0.426 0.000 1.053 166 V CB -0.365 31.031 31.823 -0.711 0.000 0.695 166 V HN 0.328 nan 8.190 nan 0.000 0.463 167 E N 0.334 120.434 120.200 -0.166 0.000 2.158 167 E HA 0.003 4.352 4.350 -0.000 0.000 0.191 167 E C 2.009 178.619 176.600 0.015 0.000 0.982 167 E CA 1.089 57.438 56.400 -0.084 0.000 0.823 167 E CB -0.157 29.467 29.700 -0.128 0.000 0.766 167 E HN 0.629 nan 8.360 nan 0.000 0.468 168 G N 0.280 109.146 108.800 0.109 0.000 2.195 168 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.246 168 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.246 168 G C 0.620 175.660 174.900 0.234 0.000 0.984 168 G CA 0.674 45.916 45.100 0.237 0.000 0.633 168 G HN 0.771 nan 8.290 nan 0.000 0.525 169 G N -1.352 107.573 108.800 0.209 0.000 2.435 169 G HA2 0.644 4.604 3.960 -0.000 0.000 0.228 169 G HA3 0.644 4.604 3.960 -0.000 0.000 0.228 169 G C 0.302 175.322 174.900 0.200 0.000 1.198 169 G CA 0.730 45.963 45.100 0.222 0.000 0.948 169 G HN 1.602 nan 8.290 nan 0.000 0.487 170 G N -0.718 108.175 108.800 0.154 0.000 2.537 170 G HA2 0.591 4.551 3.960 -0.000 0.000 0.273 170 G HA3 0.591 4.551 3.960 -0.000 0.000 0.273 170 G C -0.180 174.688 174.900 -0.053 0.000 1.189 170 G CA 0.911 46.047 45.100 0.059 0.000 0.881 170 G HN 1.521 nan 8.290 nan 0.000 0.535 171 S N -1.831 113.775 115.700 -0.157 0.000 2.543 171 S HA 0.419 4.889 4.470 -0.000 0.000 0.274 171 S C 0.823 175.326 174.600 -0.161 0.000 1.149 171 S CA 0.201 58.307 58.200 -0.156 0.000 0.866 171 S CB 1.244 64.319 63.200 -0.209 0.000 1.111 171 S HN 1.199 nan 8.310 nan 0.000 0.457 172 S N 1.271 116.939 115.700 -0.054 0.000 2.528 172 S HA 0.074 4.544 4.470 -0.000 0.000 0.219 172 S C 1.270 175.931 174.600 0.103 0.000 0.985 172 S CA 1.026 59.258 58.200 0.052 0.000 0.914 172 S CB -0.281 62.953 63.200 0.057 0.000 0.776 172 S HN 1.012 nan 8.310 nan 0.000 0.526 173 T N -2.921 111.610 114.554 -0.038 0.000 2.966 173 T HA 0.305 4.654 4.350 -0.000 0.000 0.254 173 T C 0.698 175.329 174.700 -0.115 0.000 0.961 173 T CA 0.114 62.224 62.100 0.016 0.000 0.915 173 T CB -0.109 68.781 68.868 0.036 0.000 1.186 173 T HN 0.109 nan 8.240 nan 0.000 0.505 174 M N 0.758 120.186 119.600 -0.288 0.000 2.576 174 M HA -0.214 4.266 4.480 -0.000 0.000 0.200 174 M C 1.394 177.675 176.300 -0.031 0.000 0.487 174 M CA 0.752 55.901 55.300 -0.251 0.000 0.553 174 M CB -2.527 29.884 32.600 -0.314 0.000 2.042 174 M HN 0.622 nan 8.290 nan 0.000 0.758 175 A N -0.371 122.445 122.820 -0.007 0.000 1.940 175 A HA -0.197 4.123 4.320 -0.000 0.000 0.219 175 A C 2.059 179.692 177.584 0.081 0.000 1.176 175 A CA 1.792 53.862 52.037 0.055 0.000 0.631 175 A CB -0.179 18.845 19.000 0.040 0.000 0.814 175 A HN 0.673 nan 8.150 nan 0.000 0.446 176 Q N -0.718 119.111 119.800 0.048 0.000 2.083 176 Q HA -0.028 4.312 4.340 -0.000 0.000 0.198 176 Q C 2.464 178.541 176.000 0.128 0.000 0.969 176 Q CA 1.509 57.366 55.803 0.090 0.000 0.838 176 Q CB -0.663 28.096 28.738 0.035 0.000 0.900 176 Q HN 0.653 nan 8.270 nan 0.000 0.436 177 A N 1.471 124.301 122.820 0.018 0.000 1.898 177 A HA -0.161 4.159 4.320 -0.000 0.000 0.216 177 A C 2.068 179.805 177.584 0.254 0.000 1.181 177 A CA 1.430 53.468 52.037 0.002 0.000 0.620 177 A CB -0.282 18.597 19.000 -0.202 0.000 0.819 177 A HN 0.229 nan 8.150 nan 0.000 0.442 178 K N -0.805 119.757 120.400 0.270 0.000 2.211 178 K HA -0.071 4.249 4.320 -0.000 0.000 0.203 178 K C 2.280 179.010 176.600 0.217 0.000 1.050 178 K CA 1.014 57.431 56.287 0.216 0.000 0.945 178 K CB -0.115 32.523 32.500 0.229 0.000 0.732 178 K HN 0.403 nan 8.250 nan 0.000 0.451 179 R N -0.068 120.576 120.500 0.240 0.000 2.115 179 R HA -0.148 4.192 4.340 -0.000 0.000 0.230 179 R C 1.545 177.964 176.300 0.200 0.000 1.111 179 R CA 1.249 57.484 56.100 0.225 0.000 0.976 179 R CB -0.087 30.319 30.300 0.175 0.000 0.870 179 R HN 0.253 nan 8.270 nan 0.000 0.445 180 W N 1.090 122.379 121.300 -0.018 0.000 2.358 180 W HA -0.093 4.567 4.660 -0.000 0.000 0.303 180 W C 2.009 178.415 176.519 -0.189 0.000 1.208 180 W CA 1.072 58.373 57.345 -0.073 0.000 1.274 180 W CB -0.436 28.980 29.460 -0.073 0.000 1.138 180 W HN 0.042 nan 8.180 nan 0.000 0.515 181 L N -1.680 119.473 121.223 -0.118 0.000 2.046 181 L HA -0.262 4.078 4.340 -0.000 0.000 0.208 181 L C 2.108 178.734 176.870 -0.406 0.000 1.077 181 L CA 1.513 55.950 54.840 -0.671 0.000 0.747 181 L CB -1.169 40.262 42.059 -1.047 0.000 0.896 181 L HN 0.046 nan 8.230 nan 0.000 0.432 182 Y N -0.430 119.814 120.300 -0.092 0.000 2.286 182 Y HA -0.129 4.421 4.550 -0.000 0.000 0.293 182 Y C 2.748 178.638 175.900 -0.018 0.000 1.124 182 Y CA 0.807 58.897 58.100 -0.016 0.000 1.178 182 Y CB 0.094 38.552 38.460 -0.004 0.000 1.010 182 Y HN 0.174 nan 8.280 nan 0.000 0.536 183 Q N -0.201 119.659 119.800 0.100 0.000 2.297 183 Q HA 0.089 4.429 4.340 -0.000 0.000 0.203 183 Q C 0.429 176.383 176.000 -0.077 0.000 0.931 183 Q CA 0.585 56.389 55.803 0.003 0.000 0.885 183 Q CB 0.358 29.071 28.738 -0.042 0.000 0.991 183 Q HN 0.340 nan 8.270 nan 0.000 0.498 184 R N 0.948 121.364 120.500 -0.140 0.000 3.026 184 R HA 0.182 4.522 4.340 -0.000 0.000 0.317 184 R C -2.066 174.195 176.300 -0.064 0.000 1.278 184 R CA -1.188 54.795 56.100 -0.194 0.000 1.407 184 R CB 0.655 30.636 30.300 -0.531 0.000 1.368 184 R HN 0.079 nan 8.270 nan 0.000 0.612 185 P HA -0.241 nan 4.420 nan 0.000 0.216 185 P C 0.866 178.322 177.300 0.261 0.000 1.150 185 P CA 1.379 64.585 63.100 0.176 0.000 0.843 185 P CB 0.427 32.305 31.700 0.296 0.000 0.787 186 Q N -0.183 119.737 119.800 0.200 0.000 2.020 186 Q HA -0.104 4.236 4.340 -0.000 0.000 0.202 186 Q C 2.496 178.614 176.000 0.196 0.000 0.982 186 Q CA 1.812 57.745 55.803 0.217 0.000 0.838 186 Q CB -0.695 28.115 28.738 0.120 0.000 0.899 186 Q HN 0.196 nan 8.270 nan 0.000 0.423 187 A N 0.470 123.353 122.820 0.105 0.000 1.972 187 A HA -0.173 4.146 4.320 -0.000 0.000 0.219 187 A C 2.263 180.015 177.584 0.279 0.000 1.169 187 A CA 1.678 53.794 52.037 0.132 0.000 0.635 187 A CB -0.434 18.531 19.000 -0.059 0.000 0.810 187 A HN 0.243 nan 8.150 nan 0.000 0.446 188 S N -0.904 114.946 115.700 0.251 0.000 2.355 188 S HA -0.137 4.333 4.470 -0.000 0.000 0.222 188 S C 1.918 176.611 174.600 0.155 0.000 1.031 188 S CA 1.147 59.475 58.200 0.213 0.000 0.993 188 S CB -0.536 62.635 63.200 -0.049 0.000 0.859 188 S HN 0.709 nan 8.310 nan 0.000 0.453 189 H N 1.211 120.462 119.070 0.300 0.000 2.387 189 H HA -0.025 4.531 4.556 -0.000 0.000 0.299 189 H C 2.371 177.794 175.328 0.158 0.000 1.090 189 H CA 1.381 57.599 56.048 0.283 0.000 1.332 189 H CB -0.371 29.574 29.762 0.305 0.000 1.386 189 H HN 0.489 nan 8.280 nan 0.000 0.516 190 Q N 0.288 120.245 119.800 0.261 0.000 2.050 190 Q HA -0.136 4.204 4.340 -0.000 0.000 0.202 190 Q C 2.352 178.413 176.000 0.103 0.000 0.980 190 Q CA 1.215 57.119 55.803 0.169 0.000 0.840 190 Q CB -0.057 28.770 28.738 0.149 0.000 0.898 190 Q HN 0.263 nan 8.270 nan 0.000 0.424 191 L N 0.672 121.952 121.223 0.095 0.000 2.046 191 L HA -0.148 4.192 4.340 -0.000 0.000 0.208 191 L C 2.060 178.887 176.870 -0.071 0.000 1.077 191 L CA 1.582 56.430 54.840 0.013 0.000 0.747 191 L CB -0.502 41.552 42.059 -0.007 0.000 0.896 191 L HN 0.296 nan 8.230 nan 0.000 0.432 192 L N -0.821 120.314 121.223 -0.148 0.000 2.131 192 L HA -0.179 4.160 4.340 -0.000 0.000 0.210 192 L C 2.707 179.313 176.870 -0.439 0.000 1.092 192 L CA 1.172 55.752 54.840 -0.433 0.000 0.759 192 L CB -0.514 41.030 42.059 -0.857 0.000 0.903 192 L HN 0.278 nan 8.230 nan 0.000 0.435 193 R N 0.894 121.298 120.500 -0.159 0.000 2.073 193 R HA -0.063 4.277 4.340 -0.000 0.000 0.229 193 R C 2.054 178.390 176.300 0.061 0.000 1.120 193 R CA 1.457 57.607 56.100 0.084 0.000 0.967 193 R CB -0.541 29.874 30.300 0.191 0.000 0.862 193 R HN 0.229 nan 8.270 nan 0.000 0.436 194 I N 0.307 120.893 120.570 0.027 0.000 2.208 194 I HA -0.295 3.875 4.170 -0.000 0.000 0.245 194 I C 1.986 178.113 176.117 0.017 0.000 1.097 194 I CA 1.275 62.590 61.300 0.024 0.000 1.363 194 I CB -0.234 37.770 38.000 0.006 0.000 1.051 194 I HN 0.158 nan 8.210 nan 0.000 0.413 195 L N -0.181 121.036 121.223 -0.010 0.000 2.083 195 L HA -0.195 4.145 4.340 -0.000 0.000 0.209 195 L C 2.584 179.489 176.870 0.058 0.000 1.083 195 L CA 1.464 56.306 54.840 0.004 0.000 0.752 195 L CB -0.852 41.190 42.059 -0.029 0.000 0.899 195 L HN 0.261 nan 8.230 nan 0.000 0.433 196 T N -1.208 113.393 114.554 0.078 0.000 2.777 196 T HA -0.153 4.197 4.350 -0.000 0.000 0.266 196 T C 1.348 176.128 174.700 0.132 0.000 1.040 196 T CA 1.337 63.527 62.100 0.150 0.000 1.141 196 T CB -0.230 68.788 68.868 0.251 0.000 0.868 196 T HN 0.276 nan 8.240 nan 0.000 0.444 197 D N 1.141 121.606 120.400 0.109 0.000 2.350 197 D HA 0.089 4.729 4.640 -0.000 0.000 0.216 197 D C 1.969 178.322 176.300 0.089 0.000 0.968 197 D CA 0.658 54.714 54.000 0.094 0.000 0.894 197 D CB -0.156 40.691 40.800 0.079 0.000 0.909 197 D HN 0.449 nan 8.370 nan 0.000 0.520 198 A N -0.200 122.672 122.820 0.086 0.000 1.973 198 A HA 0.122 4.442 4.320 -0.000 0.000 0.210 198 A C 2.180 179.849 177.584 0.141 0.000 1.200 198 A CA 0.025 52.110 52.037 0.081 0.000 0.707 198 A CB -0.322 18.698 19.000 0.033 0.000 0.862 198 A HN 0.128 nan 8.150 nan 0.000 0.461 199 L N -0.244 121.077 121.223 0.163 0.000 2.056 199 L HA -0.141 4.199 4.340 -0.000 0.000 0.207 199 L C 2.508 179.507 176.870 0.216 0.000 1.078 199 L CA 0.957 55.940 54.840 0.238 0.000 0.749 199 L CB -0.503 41.684 42.059 0.213 0.000 0.901 199 L HN 0.233 nan 8.230 nan 0.000 0.433 200 V N 0.653 120.662 119.914 0.158 0.000 2.231 200 V HA -0.207 3.913 4.120 -0.000 0.000 0.248 200 V C -0.189 175.974 176.094 0.114 0.000 1.054 200 V CA 2.396 64.766 62.300 0.118 0.000 1.015 200 V CB -1.913 29.968 31.823 0.096 0.000 0.638 200 V HN 0.383 nan 8.190 nan 0.000 0.444 201 P HA -0.206 nan 4.420 nan 0.000 0.220 201 P C 1.520 178.952 177.300 0.220 0.000 1.148 201 P CA 1.666 64.846 63.100 0.133 0.000 0.803 201 P CB -0.144 31.634 31.700 0.130 0.000 0.782 202 Y N 1.414 121.791 120.300 0.130 0.000 2.163 202 Y HA -0.109 4.441 4.550 -0.000 0.000 0.288 202 Y C 2.350 178.358 175.900 0.180 0.000 1.136 202 Y CA 1.151 59.378 58.100 0.212 0.000 1.147 202 Y CB -1.341 37.185 38.460 0.109 0.000 0.987 202 Y HN -0.246 nan 8.280 nan 0.000 0.509 203 L N -1.177 120.026 121.223 -0.033 0.000 2.093 203 L HA -0.185 4.155 4.340 -0.000 0.000 0.208 203 L C 2.412 179.219 176.870 -0.104 0.000 1.085 203 L CA 0.963 55.710 54.840 -0.155 0.000 0.755 203 L CB -0.706 41.327 42.059 -0.044 0.000 0.904 203 L HN 0.066 nan 8.230 nan 0.000 0.435 204 V N 0.151 120.035 119.914 -0.050 0.000 2.358 204 V HA -0.193 3.927 4.120 -0.000 0.000 0.246 204 V C 2.586 178.576 176.094 -0.173 0.000 1.047 204 V CA 1.985 64.240 62.300 -0.073 0.000 1.035 204 V CB -1.086 30.717 31.823 -0.033 0.000 0.658 204 V HN 0.569 nan 8.190 nan 0.000 0.452 205 G N -1.254 107.391 108.800 -0.259 0.000 2.432 205 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.219 205 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.219 205 G C 1.474 175.909 174.900 -0.776 0.000 1.135 205 G CA 0.586 45.238 45.100 -0.747 0.000 0.767 205 G HN 0.543 nan 8.290 nan 0.000 0.550 206 Q N -0.249 119.353 119.800 -0.331 0.000 2.119 206 Q HA -0.030 4.310 4.340 -0.000 0.000 0.201 206 Q C 2.802 178.716 176.000 -0.144 0.000 0.972 206 Q CA 1.112 56.829 55.803 -0.144 0.000 0.847 206 Q CB -0.122 28.524 28.738 -0.154 0.000 0.903 206 Q HN 0.424 nan 8.270 nan 0.000 0.433 207 V N 0.129 119.957 119.914 -0.143 0.000 2.379 207 V HA -0.183 3.937 4.120 -0.000 0.000 0.245 207 V C 2.211 178.254 176.094 -0.085 0.000 1.044 207 V CA 1.177 63.420 62.300 -0.094 0.000 1.036 207 V CB -0.311 31.476 31.823 -0.061 0.000 0.664 207 V HN 0.157 nan 8.190 nan 0.000 0.453 208 V N 0.583 120.423 119.914 -0.123 0.000 2.490 208 V HA -0.226 3.894 4.120 -0.000 0.000 0.250 208 V C 2.522 178.603 176.094 -0.021 0.000 1.061 208 V CA 1.942 64.192 62.300 -0.083 0.000 1.064 208 V CB -0.994 30.736 31.823 -0.155 0.000 0.670 208 V HN 0.562 nan 8.190 nan 0.000 0.461 209 A N -0.979 121.790 122.820 -0.085 0.000 2.208 209 A HA 0.407 4.727 4.320 -0.000 0.000 0.209 209 A C 1.874 179.466 177.584 0.013 0.000 1.161 209 A CA 1.198 53.254 52.037 0.033 0.000 0.782 209 A CB -0.117 18.903 19.000 0.033 0.000 0.816 209 A HN 1.050 nan 8.150 nan 0.000 0.477 210 G N -2.566 106.152 108.800 -0.138 0.000 2.273 210 G HA2 0.229 4.189 3.960 -0.000 0.000 0.162 210 G HA3 0.229 4.189 3.960 -0.000 0.000 0.162 210 G C 0.322 175.030 174.900 -0.321 0.000 1.006 210 G CA -0.049 44.764 45.100 -0.479 0.000 0.704 210 G HN 1.349 nan 8.290 nan 0.000 0.487 211 A N 0.230 122.949 122.820 -0.168 0.000 2.488 211 A HA 0.620 4.940 4.320 -0.000 0.000 0.249 211 A C 0.996 178.527 177.584 -0.088 0.000 1.083 211 A CA 0.894 52.861 52.037 -0.116 0.000 0.768 211 A CB 0.294 19.248 19.000 -0.078 0.000 1.017 211 A HN 0.456 nan 8.150 nan 0.000 0.496 212 Q N 0.527 120.286 119.800 -0.068 0.000 2.282 212 Q HA 0.451 4.791 4.340 -0.000 0.000 0.206 212 Q C 0.173 176.194 176.000 0.034 0.000 0.878 212 Q CA 0.673 56.470 55.803 -0.010 0.000 0.944 212 Q CB 0.545 29.281 28.738 -0.004 0.000 1.100 212 Q HN 0.906 nan 8.270 nan 0.000 0.509 213 A N 0.428 123.257 122.820 0.015 0.000 2.601 213 A HA 0.728 5.047 4.320 -0.000 0.000 0.291 213 A C -1.964 175.631 177.584 0.019 0.000 1.075 213 A CA -0.650 51.405 52.037 0.030 0.000 0.671 213 A CB 1.144 20.241 19.000 0.160 0.000 1.277 213 A HN 0.140 nan 8.150 nan 0.000 0.417 214 L N 0.553 121.796 121.223 0.034 0.000 2.455 214 L HA 0.649 4.989 4.340 -0.000 0.000 0.264 214 L C -0.527 176.420 176.870 0.128 0.000 0.968 214 L CA -0.361 54.523 54.840 0.074 0.000 0.827 214 L CB 2.395 44.485 42.059 0.052 0.000 1.317 214 L HN 0.888 nan 8.230 nan 0.000 0.407 215 Q N 2.644 122.556 119.800 0.186 0.000 2.330 215 Q HA 0.576 4.916 4.340 -0.000 0.000 0.269 215 Q C -1.805 174.320 176.000 0.208 0.000 1.022 215 Q CA -0.767 55.120 55.803 0.140 0.000 0.796 215 Q CB 2.468 31.222 28.738 0.026 0.000 1.271 215 Q HN 0.523 nan 8.270 nan 0.000 0.450 216 L N 4.572 125.888 121.223 0.156 0.000 2.287 216 L HA 0.508 4.848 4.340 -0.000 0.000 0.287 216 L C -1.625 175.345 176.870 0.166 0.000 1.022 216 L CA -0.023 54.968 54.840 0.250 0.000 0.814 216 L CB 0.727 42.943 42.059 0.261 0.000 1.217 216 L HN 0.607 nan 8.230 nan 0.000 0.420 217 F N 3.337 123.481 119.950 0.323 0.000 2.371 217 F HA 0.326 4.853 4.527 -0.000 0.000 0.363 217 F C 0.612 176.540 175.800 0.213 0.000 1.122 217 F CA -0.397 57.800 58.000 0.328 0.000 1.129 217 F CB 1.081 40.297 39.000 0.360 0.000 1.173 217 F HN 0.459 nan 8.300 nan 0.000 0.489 218 E N 1.566 121.929 120.200 0.272 0.000 2.597 218 E HA 0.221 4.570 4.350 -0.000 0.000 0.235 218 E C 0.586 177.262 176.600 0.127 0.000 1.155 218 E CA -0.036 56.489 56.400 0.208 0.000 1.199 218 E CB 0.092 29.916 29.700 0.206 0.000 1.409 218 E HN 0.503 nan 8.360 nan 0.000 0.453 219 S N 0.707 116.494 115.700 0.144 0.000 2.400 219 S HA -0.147 4.323 4.470 -0.000 0.000 0.232 219 S C 0.582 175.292 174.600 0.182 0.000 1.025 219 S CA 1.060 59.323 58.200 0.106 0.000 0.993 219 S CB -0.328 62.940 63.200 0.113 0.000 0.808 219 S HN 0.634 nan 8.310 nan 0.000 0.478 220 H N -0.140 119.044 119.070 0.190 0.000 2.524 220 H HA 0.491 5.047 4.556 -0.000 0.000 0.297 220 H C 1.480 177.142 175.328 0.557 0.000 1.115 220 H CA -0.108 56.132 56.048 0.321 0.000 1.027 220 H CB 0.189 30.019 29.762 0.113 0.000 1.591 220 H HN 0.352 nan 8.280 nan 0.000 0.543 221 A N 0.570 123.684 122.820 0.491 0.000 1.897 221 A HA -0.064 4.256 4.320 -0.000 0.000 0.215 221 A C 2.577 180.418 177.584 0.428 0.000 1.181 221 A CA 1.303 53.648 52.037 0.514 0.000 0.620 221 A CB -0.853 18.307 19.000 0.268 0.000 0.821 221 A HN 0.568 nan 8.150 nan 0.000 0.443 222 G N -1.334 107.590 108.800 0.207 0.000 2.479 222 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.220 222 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.220 222 G C 1.340 176.271 174.900 0.051 0.000 1.115 222 G CA 1.058 46.235 45.100 0.128 0.000 0.757 222 G HN 0.725 nan 8.290 nan 0.000 0.560 223 H N -0.332 118.891 119.070 0.255 0.000 2.495 223 H HA 0.163 4.718 4.556 -0.000 0.000 0.287 223 H C 1.072 176.480 175.328 0.134 0.000 1.033 223 H CA 0.349 56.513 56.048 0.194 0.000 1.307 223 H CB 0.162 30.073 29.762 0.249 0.000 1.401 223 H HN 0.250 nan 8.280 nan 0.000 0.555 224 L N 0.268 121.627 121.223 0.226 0.000 2.379 224 L HA 0.393 4.733 4.340 -0.000 0.000 0.269 224 L C 1.190 177.920 176.870 -0.234 0.000 1.084 224 L CA -0.633 54.219 54.840 0.019 0.000 0.802 224 L CB 1.438 43.489 42.059 -0.013 0.000 1.175 224 L HN 0.058 nan 8.230 nan 0.000 0.448 225 G N 0.590 109.195 108.800 -0.324 0.000 2.557 225 G HA2 0.403 4.363 3.960 -0.000 0.000 0.302 225 G HA3 0.403 4.363 3.960 -0.000 0.000 0.302 225 G C -2.192 172.306 174.900 -0.669 0.000 1.311 225 G CA -1.061 43.647 45.100 -0.654 0.000 1.030 225 G HN 0.381 nan 8.290 nan 0.000 0.509 226 P HA -0.160 nan 4.420 nan 0.000 0.215 226 P C 1.888 179.199 177.300 0.018 0.000 1.163 226 P CA 1.606 64.605 63.100 -0.168 0.000 0.894 226 P CB 0.141 31.781 31.700 -0.100 0.000 0.791 227 Q N -0.887 118.897 119.800 -0.027 0.000 2.030 227 Q HA -0.164 4.176 4.340 -0.000 0.000 0.204 227 Q C 2.286 178.300 176.000 0.024 0.000 0.986 227 Q CA 1.353 57.164 55.803 0.013 0.000 0.843 227 Q CB -0.848 27.899 28.738 0.015 0.000 0.904 227 Q HN 0.255 nan 8.270 nan 0.000 0.420 228 L N -0.467 120.762 121.223 0.010 0.000 2.083 228 L HA -0.172 4.168 4.340 -0.000 0.000 0.209 228 L C 2.326 179.220 176.870 0.039 0.000 1.083 228 L CA 0.876 55.727 54.840 0.018 0.000 0.752 228 L CB -0.354 41.635 42.059 -0.116 0.000 0.899 228 L HN 0.237 nan 8.230 nan 0.000 0.433 229 F N 1.396 121.302 119.950 -0.074 0.000 2.102 229 F HA -0.249 4.278 4.527 -0.000 0.000 0.298 229 F C 2.346 178.156 175.800 0.017 0.000 1.105 229 F CA 1.707 59.704 58.000 -0.005 0.000 1.239 229 F CB -0.162 38.970 39.000 0.220 0.000 0.991 229 F HN 0.137 nan 8.300 nan 0.000 0.474 230 N N 0.359 119.187 118.700 0.213 0.000 2.309 230 N HA -0.133 4.607 4.740 -0.000 0.000 0.182 230 N C 1.697 177.160 175.510 -0.078 0.000 1.018 230 N CA 1.002 54.103 53.050 0.085 0.000 0.876 230 N CB -0.289 38.258 38.487 0.100 0.000 0.972 230 N HN 0.379 nan 8.380 nan 0.000 0.434 231 K N -0.868 119.449 120.400 -0.138 0.000 2.098 231 K HA 0.113 4.433 4.320 -0.000 0.000 0.203 231 K C 0.815 177.126 176.600 -0.481 0.000 1.051 231 K CA 0.872 56.942 56.287 -0.361 0.000 0.957 231 K CB 0.131 32.329 32.500 -0.504 0.000 0.738 231 K HN 0.075 nan 8.250 nan 0.000 0.447 232 F N -1.513 118.397 119.950 -0.066 0.000 2.727 232 F HA 0.286 4.813 4.527 -0.000 0.000 0.302 232 F C 1.622 177.446 175.800 0.040 0.000 1.107 232 F CA -0.026 57.974 58.000 -0.001 0.000 1.277 232 F CB 0.633 39.496 39.000 -0.228 0.000 1.079 232 F HN -0.016 nan 8.300 nan 0.000 0.594 233 A N -0.268 122.476 122.820 -0.126 0.000 1.969 233 A HA 0.140 4.460 4.320 -0.000 0.000 0.205 233 A C 1.766 179.160 177.584 -0.317 0.000 1.364 233 A CA 0.308 52.173 52.037 -0.286 0.000 0.756 233 A CB -0.846 17.637 19.000 -0.862 0.000 0.988 233 A HN 0.177 nan 8.150 nan 0.000 0.490 234 L N 0.929 121.827 121.223 -0.541 0.000 2.012 234 L HA -0.053 4.286 4.340 -0.000 0.000 0.210 234 L C -0.916 175.891 176.870 -0.104 0.000 1.073 234 L CA 2.496 57.195 54.840 -0.235 0.000 0.748 234 L CB -1.117 40.907 42.059 -0.059 0.000 0.891 234 L HN 0.163 nan 8.230 nan 0.000 0.431 235 P HA -0.196 nan 4.420 nan 0.000 0.216 235 P C 1.070 178.170 177.300 -0.332 0.000 1.153 235 P CA 1.799 64.706 63.100 -0.320 0.000 0.858 235 P CB -0.175 31.189 31.700 -0.561 0.000 0.789 236 Y N -1.549 118.776 120.300 0.042 0.000 2.337 236 Y HA -0.007 4.543 4.550 -0.000 0.000 0.293 236 Y C 2.285 178.250 175.900 0.109 0.000 1.123 236 Y CA 0.454 58.604 58.100 0.083 0.000 1.201 236 Y CB -0.997 37.527 38.460 0.108 0.000 1.011 236 Y HN -0.119 nan 8.280 nan 0.000 0.545 237 I N -0.105 120.587 120.570 0.203 0.000 2.315 237 I HA -0.280 3.890 4.170 -0.000 0.000 0.248 237 I C 2.254 178.556 176.117 0.308 0.000 1.117 237 I CA 1.331 62.767 61.300 0.226 0.000 1.404 237 I CB -0.240 37.830 38.000 0.116 0.000 1.071 237 I HN 0.164 nan 8.210 nan 0.000 0.419 238 R N 0.427 121.038 120.500 0.185 0.000 2.062 238 R HA -0.128 4.212 4.340 -0.000 0.000 0.229 238 R C 1.920 178.279 176.300 0.098 0.000 1.128 238 R CA 1.389 57.582 56.100 0.155 0.000 0.960 238 R CB -0.317 30.022 30.300 0.065 0.000 0.855 238 R HN 0.279 nan 8.270 nan 0.000 0.432 239 D N 0.308 120.751 120.400 0.071 0.000 2.149 239 D HA -0.136 4.504 4.640 -0.000 0.000 0.198 239 D C 1.944 178.300 176.300 0.093 0.000 0.990 239 D CA 1.042 55.081 54.000 0.066 0.000 0.839 239 D CB -0.188 40.658 40.800 0.076 0.000 0.948 239 D HN -0.002 nan 8.370 nan 0.000 0.460 240 V N 1.389 121.391 119.914 0.148 0.000 2.261 240 V HA -0.259 3.861 4.120 -0.000 0.000 0.246 240 V C 2.553 178.677 176.094 0.051 0.000 1.047 240 V CA 1.960 64.346 62.300 0.142 0.000 1.015 240 V CB -0.844 31.114 31.823 0.225 0.000 0.642 240 V HN 0.203 nan 8.190 nan 0.000 0.446 241 A N -0.417 122.383 122.820 -0.033 0.000 1.902 241 A HA -0.275 4.045 4.320 -0.000 0.000 0.217 241 A C 2.345 179.847 177.584 -0.137 0.000 1.181 241 A CA 2.269 54.146 52.037 -0.268 0.000 0.623 241 A CB -0.517 18.040 19.000 -0.738 0.000 0.818 241 A HN 0.536 nan 8.150 nan 0.000 0.443 242 K N -0.497 119.863 120.400 -0.066 0.000 2.002 242 K HA -0.213 4.107 4.320 -0.000 0.000 0.209 242 K C 2.259 178.851 176.600 -0.014 0.000 1.048 242 K CA 1.818 58.086 56.287 -0.033 0.000 0.930 242 K CB -0.248 32.246 32.500 -0.009 0.000 0.714 242 K HN 0.630 nan 8.250 nan 0.000 0.438 243 Q N -0.011 119.793 119.800 0.007 0.000 2.167 243 Q HA -0.107 4.233 4.340 -0.000 0.000 0.202 243 Q C 2.120 178.128 176.000 0.013 0.000 0.970 243 Q CA 1.267 57.081 55.803 0.019 0.000 0.855 243 Q CB 0.130 28.893 28.738 0.041 0.000 0.911 243 Q HN 0.163 nan 8.270 nan 0.000 0.438 244 V N 1.292 121.209 119.914 0.005 0.000 2.358 244 V HA -0.252 3.867 4.120 -0.000 0.000 0.246 244 V C 2.028 178.116 176.094 -0.009 0.000 1.047 244 V CA 1.738 64.038 62.300 -0.001 0.000 1.035 244 V CB -0.361 31.457 31.823 -0.008 0.000 0.658 244 V HN 0.286 nan 8.190 nan 0.000 0.452 245 K N 0.285 120.673 120.400 -0.021 0.000 2.057 245 K HA -0.123 4.197 4.320 -0.000 0.000 0.207 245 K C 2.327 178.927 176.600 0.001 0.000 1.049 245 K CA 1.491 57.773 56.287 -0.009 0.000 0.931 245 K CB -0.439 32.052 32.500 -0.016 0.000 0.714 245 K HN 0.462 nan 8.250 nan 0.000 0.440 246 A N 1.699 124.519 122.820 -0.001 0.000 1.877 246 A HA -0.180 4.139 4.320 -0.000 0.000 0.216 246 A C 2.077 179.664 177.584 0.004 0.000 1.186 246 A CA 1.379 53.417 52.037 0.003 0.000 0.620 246 A CB -0.404 18.598 19.000 0.004 0.000 0.822 246 A HN 0.205 nan 8.150 nan 0.000 0.443 247 R N -0.694 119.810 120.500 0.006 0.000 2.092 247 R HA 0.009 4.349 4.340 -0.000 0.000 0.231 247 R C 2.068 178.368 176.300 0.000 0.000 1.119 247 R CA 1.241 57.344 56.100 0.005 0.000 0.970 247 R CB -0.476 29.829 30.300 0.008 0.000 0.864 247 R HN 0.502 nan 8.270 nan 0.000 0.440 248 L N 0.241 121.464 121.223 -0.000 0.000 2.046 248 L HA -0.185 4.155 4.340 -0.000 0.000 0.208 248 L C 2.597 179.469 176.870 0.003 0.000 1.077 248 L CA 1.461 56.301 54.840 -0.000 0.000 0.747 248 L CB -0.335 41.728 42.059 0.006 0.000 0.896 248 L HN 0.174 nan 8.230 nan 0.000 0.432 249 R N 0.046 120.548 120.500 0.005 0.000 2.070 249 R HA -0.170 4.170 4.340 -0.000 0.000 0.233 249 R C 2.111 178.411 176.300 0.001 0.000 1.137 249 R CA 1.486 57.587 56.100 0.003 0.000 0.945 249 R CB -0.364 29.938 30.300 0.002 0.000 0.845 249 R HN 0.429 nan 8.270 nan 0.000 0.430 250 E N 0.383 120.584 120.200 0.001 0.000 2.209 250 E HA -0.161 4.189 4.350 -0.000 0.000 0.196 250 E C 1.576 178.176 176.600 0.000 0.000 0.993 250 E CA 1.072 57.472 56.400 0.001 0.000 0.819 250 E CB -0.015 29.687 29.700 0.003 0.000 0.745 250 E HN 0.364 nan 8.360 nan 0.000 0.477 251 A N 0.023 122.843 122.820 -0.001 0.000 2.251 251 A HA 0.288 4.608 4.320 -0.000 0.000 0.209 251 A C 1.726 179.310 177.584 -0.001 0.000 1.187 251 A CA 0.735 52.771 52.037 -0.002 0.000 0.823 251 A CB -0.090 18.906 19.000 -0.007 0.000 0.846 251 A HN 0.318 nan 8.150 nan 0.000 0.486 252 G N -1.298 107.502 108.800 -0.000 0.000 2.157 252 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.248 252 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.248 252 G C 0.106 175.008 174.900 0.004 0.000 0.979 252 G CA 0.379 45.479 45.100 0.001 0.000 0.650 252 G HN 0.433 nan 8.290 nan 0.000 0.529 253 L N 0.468 121.695 121.223 0.006 0.000 2.399 253 L HA 0.734 5.074 4.340 -0.000 0.000 0.265 253 L C 0.992 177.872 176.870 0.016 0.000 1.089 253 L CA -0.513 54.336 54.840 0.014 0.000 0.802 253 L CB 1.518 43.585 42.059 0.013 0.000 1.180 253 L HN 0.251 nan 8.230 nan 0.000 0.454 254 A N 2.633 125.468 122.820 0.025 0.000 2.309 254 A HA 0.555 4.875 4.320 -0.000 0.000 0.290 254 A C -2.240 175.383 177.584 0.065 0.000 1.206 254 A CA -1.262 50.793 52.037 0.031 0.000 0.850 254 A CB -0.354 18.661 19.000 0.026 0.000 1.118 254 A HN 0.428 nan 8.150 nan 0.000 0.523 255 P HA 0.204 nan 4.420 nan 0.000 0.267 255 P C -0.121 177.310 177.300 0.219 0.000 1.201 255 P CA 0.054 63.226 63.100 0.119 0.000 0.775 255 P CB 0.580 32.358 31.700 0.129 0.000 0.854 256 V N -0.269 119.739 119.914 0.156 0.000 2.850 256 V HA 0.678 4.798 4.120 -0.000 0.000 0.315 256 V C -2.443 173.634 176.094 -0.028 0.000 1.064 256 V CA -2.819 59.568 62.300 0.146 0.000 0.979 256 V CB 1.281 33.135 31.823 0.052 0.000 1.039 256 V HN 0.381 nan 8.190 nan 0.000 0.452 257 P HA 0.294 nan 4.420 nan 0.000 0.271 257 P C -0.866 176.245 177.300 -0.314 0.000 1.220 257 P CA 0.075 62.732 63.100 -0.739 0.000 0.768 257 P CB 0.672 31.659 31.700 -1.188 0.000 0.848 258 M N 3.343 122.804 119.600 -0.231 0.000 2.364 258 M HA 0.407 4.887 4.480 -0.000 0.000 0.334 258 M C -0.269 176.121 176.300 0.150 0.000 1.107 258 M CA -0.828 54.458 55.300 -0.023 0.000 0.988 258 M CB 1.354 33.895 32.600 -0.098 0.000 1.673 258 M HN 0.156 nan 8.290 nan 0.000 0.441 259 I N 3.945 124.646 120.570 0.219 0.000 2.404 259 I HA 0.443 4.613 4.170 -0.000 0.000 0.293 259 I C -0.641 175.543 176.117 0.113 0.000 0.992 259 I CA -0.442 60.959 61.300 0.169 0.000 1.149 259 I CB 1.594 39.659 38.000 0.109 0.000 1.315 259 I HN 0.541 nan 8.210 nan 0.000 0.446 260 I N 6.818 127.335 120.570 -0.088 0.000 2.362 260 I HA 0.433 4.603 4.170 -0.000 0.000 0.289 260 I C -1.809 174.279 176.117 -0.049 0.000 0.994 260 I CA -0.676 60.430 61.300 -0.324 0.000 1.158 260 I CB 1.227 38.700 38.000 -0.878 0.000 1.315 260 I HN 0.483 nan 8.210 nan 0.000 0.451 261 F N 8.357 128.197 119.950 -0.183 0.000 2.445 261 F HA 0.715 5.242 4.527 -0.000 0.000 0.348 261 F C -0.604 175.189 175.800 -0.012 0.000 1.125 261 F CA -1.043 56.889 58.000 -0.114 0.000 0.983 261 F CB 1.394 40.276 39.000 -0.196 0.000 1.198 261 F HN 0.519 nan 8.300 nan 0.000 0.436 262 A N 7.064 129.643 122.820 -0.401 0.000 2.394 262 A HA 0.355 4.675 4.320 -0.000 0.000 0.333 262 A C -0.244 176.962 177.584 -0.631 0.000 1.397 262 A CA -0.823 50.980 52.037 -0.390 0.000 0.884 262 A CB 0.100 18.973 19.000 -0.213 0.000 1.147 262 A HN 0.751 nan 8.150 nan 0.000 0.505 263 K N 2.276 122.184 120.400 -0.820 0.000 2.451 263 K HA 0.098 4.418 4.320 -0.000 0.000 0.280 263 K C -0.534 175.877 176.600 -0.315 0.000 1.020 263 K CA 0.297 56.208 56.287 -0.627 0.000 1.008 263 K CB 0.151 32.379 32.500 -0.453 0.000 0.917 263 K HN 0.699 nan 8.250 nan 0.000 0.478 264 D N 2.218 122.447 120.400 -0.286 0.000 2.945 264 D HA -0.143 4.497 4.640 -0.000 0.000 0.225 264 D C 0.153 176.347 176.300 -0.176 0.000 1.158 264 D CA 1.348 55.246 54.000 -0.170 0.000 0.805 264 D CB -1.151 39.574 40.800 -0.125 0.000 1.098 264 D HN 0.831 nan 8.370 nan 0.000 0.426 265 G N -0.410 108.127 108.800 -0.438 0.000 3.814 265 G HA2 0.252 4.212 3.960 -0.000 0.000 0.293 265 G HA3 0.252 4.212 3.960 -0.000 0.000 0.293 265 G C 1.012 175.289 174.900 -1.038 0.000 1.243 265 G CA 0.147 44.631 45.100 -1.026 0.000 1.053 265 G HN 0.575 nan 8.290 nan 0.000 0.562 266 H N -0.591 118.150 119.070 -0.548 0.000 2.390 266 H HA -0.219 4.337 4.556 -0.000 0.000 0.298 266 H C 1.881 177.018 175.328 -0.318 0.000 1.106 266 H CA 1.698 57.551 56.048 -0.325 0.000 1.297 266 H CB -0.674 28.993 29.762 -0.158 0.000 1.375 266 H HN 0.479 nan 8.280 nan 0.000 0.509 267 F N -0.021 119.327 119.950 -1.004 0.000 2.546 267 F HA 0.356 4.883 4.527 -0.000 0.000 0.298 267 F C 1.995 177.546 175.800 -0.415 0.000 1.120 267 F CA 0.297 57.923 58.000 -0.622 0.000 1.456 267 F CB -0.235 38.352 39.000 -0.689 0.000 1.088 267 F HN 0.345 nan 8.300 nan 0.000 0.572 268 A N 0.233 122.510 122.820 -0.905 0.000 2.469 268 A HA 0.387 4.706 4.320 -0.000 0.000 0.245 268 A C 1.790 179.160 177.584 -0.356 0.000 1.221 268 A CA -0.260 51.401 52.037 -0.627 0.000 0.946 268 A CB -0.723 17.560 19.000 -1.195 0.000 1.049 268 A HN 0.436 nan 8.150 nan 0.000 0.529 269 L N -0.343 120.698 121.223 -0.305 0.000 2.081 269 L HA -0.249 4.091 4.340 -0.000 0.000 0.212 269 L C 2.500 179.324 176.870 -0.077 0.000 1.080 269 L CA 2.077 56.821 54.840 -0.160 0.000 0.754 269 L CB -0.256 41.736 42.059 -0.111 0.000 0.893 269 L HN 0.624 nan 8.230 nan 0.000 0.433 270 E N -0.228 119.935 120.200 -0.062 0.000 2.072 270 E HA -0.197 4.152 4.350 -0.000 0.000 0.190 270 E C 2.060 178.661 176.600 0.002 0.000 0.982 270 E CA 0.923 57.313 56.400 -0.018 0.000 0.803 270 E CB 0.226 29.921 29.700 -0.009 0.000 0.755 270 E HN 0.412 nan 8.360 nan 0.000 0.453 271 E N 0.712 120.913 120.200 0.003 0.000 2.072 271 E HA -0.176 4.174 4.350 -0.000 0.000 0.191 271 E C 2.349 178.985 176.600 0.060 0.000 0.985 271 E CA 0.697 57.125 56.400 0.047 0.000 0.801 271 E CB -0.326 29.428 29.700 0.092 0.000 0.750 271 E HN 0.389 nan 8.360 nan 0.000 0.452 272 L N 0.657 121.898 121.223 0.031 0.000 2.131 272 L HA -0.095 4.245 4.340 -0.000 0.000 0.210 272 L C 2.380 179.283 176.870 0.056 0.000 1.092 272 L CA 0.984 55.844 54.840 0.033 0.000 0.759 272 L CB -0.507 41.531 42.059 -0.036 0.000 0.903 272 L HN 0.049 nan 8.230 nan 0.000 0.435 273 A N -0.801 122.045 122.820 0.043 0.000 2.209 273 A HA -0.122 4.198 4.320 -0.000 0.000 0.212 273 A C 1.766 179.396 177.584 0.077 0.000 1.158 273 A CA 0.946 53.019 52.037 0.060 0.000 0.742 273 A CB -0.184 18.841 19.000 0.042 0.000 0.790 273 A HN 0.541 nan 8.150 nan 0.000 0.472 274 Q N -1.546 118.302 119.800 0.081 0.000 2.135 274 Q HA 0.391 4.731 4.340 -0.000 0.000 0.222 274 Q C 1.055 177.118 176.000 0.104 0.000 0.808 274 Q CA 0.330 56.180 55.803 0.079 0.000 1.049 274 Q CB 0.745 29.517 28.738 0.056 0.000 1.168 274 Q HN 0.511 nan 8.270 nan 0.000 0.483 275 A N 0.278 123.194 122.820 0.160 0.000 2.275 275 A HA 0.430 4.750 4.320 -0.000 0.000 0.212 275 A C 1.380 179.128 177.584 0.273 0.000 1.201 275 A CA 0.676 52.850 52.037 0.228 0.000 0.843 275 A CB -0.133 19.027 19.000 0.267 0.000 0.873 275 A HN 0.418 nan 8.150 nan 0.000 0.492 276 G N -2.099 106.809 108.800 0.181 0.000 2.130 276 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.216 276 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.216 276 G C -0.306 174.533 174.900 -0.102 0.000 0.999 276 G CA 0.154 45.272 45.100 0.029 0.000 0.686 276 G HN 0.390 nan 8.290 nan 0.000 0.515 277 Y N -0.251 120.064 120.300 0.025 0.000 2.409 277 Y HA 0.599 5.149 4.550 -0.000 0.000 0.339 277 Y C 1.295 177.182 175.900 -0.022 0.000 1.033 277 Y CA -0.907 57.193 58.100 0.000 0.000 1.094 277 Y CB 1.577 40.046 38.460 0.015 0.000 1.210 277 Y HN 0.047 nan 8.280 nan 0.000 0.456 278 E N 0.990 121.208 120.200 0.030 0.000 2.152 278 E HA 0.019 4.369 4.350 -0.000 0.000 0.192 278 E C -0.353 176.230 176.600 -0.028 0.000 0.983 278 E CA 0.809 57.175 56.400 -0.058 0.000 0.818 278 E CB 0.153 29.664 29.700 -0.315 0.000 0.758 278 E HN 0.300 nan 8.360 nan 0.000 0.467 279 V N 0.246 120.163 119.914 0.006 0.000 2.823 279 V HA 0.408 4.528 4.120 -0.000 0.000 0.312 279 V C -0.597 175.537 176.094 0.066 0.000 1.072 279 V CA -1.033 61.276 62.300 0.016 0.000 0.937 279 V CB 2.392 34.197 31.823 -0.031 0.000 1.013 279 V HN -0.263 nan 8.190 nan 0.000 0.430 280 V N 2.574 122.526 119.914 0.065 0.000 2.409 280 V HA 0.641 4.761 4.120 -0.000 0.000 0.290 280 V C 0.673 176.827 176.094 0.101 0.000 1.017 280 V CA -0.364 61.974 62.300 0.063 0.000 0.841 280 V CB 1.582 33.438 31.823 0.054 0.000 1.003 280 V HN 1.025 nan 8.190 nan 0.000 0.426 281 G N 4.853 113.736 108.800 0.138 0.000 2.467 281 G HA2 0.618 4.578 3.960 -0.000 0.000 0.257 281 G HA3 0.618 4.578 3.960 -0.000 0.000 0.257 281 G C -0.772 174.333 174.900 0.342 0.000 1.227 281 G CA -0.316 44.900 45.100 0.193 0.000 0.835 281 G HN 0.581 nan 8.290 nan 0.000 0.556 282 L N 1.078 122.479 121.223 0.296 0.000 2.354 282 L HA 0.392 4.731 4.340 -0.000 0.000 0.269 282 L C -0.356 176.744 176.870 0.384 0.000 1.005 282 L CA -1.202 53.818 54.840 0.299 0.000 0.819 282 L CB 2.330 44.542 42.059 0.255 0.000 1.311 282 L HN 0.725 nan 8.230 nan 0.000 0.423 283 D N -0.910 119.659 120.400 0.283 0.000 2.423 283 D HA 0.075 4.715 4.640 -0.000 0.000 0.255 283 D C 0.646 177.031 176.300 0.143 0.000 1.174 283 D CA -0.660 53.483 54.000 0.238 0.000 1.008 283 D CB 0.577 41.317 40.800 -0.101 0.000 1.101 283 D HN 0.622 nan 8.370 nan 0.000 0.516 284 W N -0.653 120.703 121.300 0.094 0.000 2.825 284 W HA 0.021 4.681 4.660 -0.000 0.000 0.243 284 W C 1.344 177.879 176.519 0.027 0.000 1.293 284 W CA 0.657 58.035 57.345 0.054 0.000 1.403 284 W CB -0.898 28.575 29.460 0.023 0.000 1.134 284 W HN 0.409 nan 8.180 nan 0.000 0.666 285 T N -1.762 112.485 114.554 -0.511 0.000 3.081 285 T HA 0.094 4.444 4.350 -0.000 0.000 0.255 285 T C 0.509 175.096 174.700 -0.187 0.000 1.113 285 T CA 0.155 62.029 62.100 -0.376 0.000 1.082 285 T CB -0.588 67.979 68.868 -0.500 0.000 0.939 285 T HN -0.072 nan 8.240 nan 0.000 0.506 286 V N 2.593 122.430 119.914 -0.127 0.000 2.406 286 V HA 0.665 4.785 4.120 -0.000 0.000 0.272 286 V C 0.796 176.846 176.094 -0.074 0.000 1.043 286 V CA -1.352 60.898 62.300 -0.083 0.000 0.915 286 V CB 0.320 32.117 31.823 -0.045 0.000 0.988 286 V HN 0.630 nan 8.190 nan 0.000 0.466 287 A N 7.240 130.002 122.820 -0.098 0.000 2.488 287 A HA 0.395 4.715 4.320 -0.000 0.000 0.249 287 A C -1.122 176.326 177.584 -0.228 0.000 1.083 287 A CA -0.839 51.116 52.037 -0.137 0.000 0.768 287 A CB 0.021 18.951 19.000 -0.117 0.000 1.017 287 A HN 0.718 nan 8.150 nan 0.000 0.496 288 P HA -0.234 nan 4.420 nan 0.000 0.217 288 P C 1.215 178.214 177.300 -0.500 0.000 1.162 288 P CA 1.904 64.502 63.100 -0.838 0.000 0.901 288 P CB 0.088 30.939 31.700 -1.415 0.000 0.793 289 K N -0.241 119.949 120.400 -0.350 0.000 2.063 289 K HA -0.159 4.161 4.320 -0.000 0.000 0.208 289 K C 2.075 178.594 176.600 -0.134 0.000 1.048 289 K CA 1.497 57.661 56.287 -0.205 0.000 0.928 289 K CB -0.312 32.096 32.500 -0.153 0.000 0.713 289 K HN 0.164 nan 8.250 nan 0.000 0.442 290 K N 0.421 120.747 120.400 -0.124 0.000 2.097 290 K HA -0.081 4.239 4.320 -0.000 0.000 0.205 290 K C 2.238 178.800 176.600 -0.065 0.000 1.050 290 K CA 1.106 57.345 56.287 -0.079 0.000 0.938 290 K CB -0.113 32.345 32.500 -0.070 0.000 0.718 290 K HN 0.131 nan 8.250 nan 0.000 0.442 291 A N 1.560 124.331 122.820 -0.083 0.000 1.933 291 A HA -0.190 4.130 4.320 -0.000 0.000 0.218 291 A C 2.108 179.684 177.584 -0.013 0.000 1.175 291 A CA 1.514 53.529 52.037 -0.038 0.000 0.628 291 A CB -0.375 18.616 19.000 -0.016 0.000 0.814 291 A HN 0.110 nan 8.150 nan 0.000 0.444 292 R N 0.318 120.796 120.500 -0.036 0.000 2.081 292 R HA -0.114 4.226 4.340 -0.000 0.000 0.235 292 R C 1.964 178.264 176.300 0.000 0.000 1.131 292 R CA 2.060 58.159 56.100 -0.001 0.000 0.960 292 R CB -0.524 29.763 30.300 -0.022 0.000 0.856 292 R HN 0.716 nan 8.270 nan 0.000 0.436 293 E N -0.799 119.390 120.200 -0.018 0.000 2.038 293 E HA -0.234 4.116 4.350 -0.000 0.000 0.195 293 E C 2.179 178.777 176.600 -0.003 0.000 1.000 293 E CA 1.677 58.071 56.400 -0.011 0.000 0.803 293 E CB -0.267 29.421 29.700 -0.019 0.000 0.750 293 E HN 0.371 nan 8.360 nan 0.000 0.448 294 C N 0.446 119.741 119.300 -0.008 0.000 2.413 294 C HA -0.134 4.326 4.460 -0.000 0.000 0.276 294 C C 2.923 177.914 174.990 0.001 0.000 1.236 294 C CA 1.067 60.081 59.018 -0.007 0.000 1.735 294 C CB -1.066 26.663 27.740 -0.018 0.000 2.031 294 C HN 0.453 nan 8.230 nan 0.000 0.474 295 V N -0.606 119.315 119.914 0.012 0.000 2.788 295 V HA 0.474 4.594 4.120 -0.000 0.000 0.251 295 V C 1.179 177.293 176.094 0.032 0.000 1.068 295 V CA 1.404 63.719 62.300 0.025 0.000 1.090 295 V CB -1.310 30.540 31.823 0.044 0.000 0.710 295 V HN 0.926 nan 8.190 nan 0.000 0.467 296 G N 1.595 110.412 108.800 0.029 0.000 2.418 296 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.206 296 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.206 296 G C 0.215 175.139 174.900 0.039 0.000 1.202 296 G CA 0.102 45.220 45.100 0.030 0.000 1.061 296 G HN 0.910 nan 8.290 nan 0.000 0.563 297 K N -1.379 119.045 120.400 0.039 0.000 2.483 297 K HA 0.420 4.740 4.320 -0.000 0.000 0.206 297 K C 1.462 178.091 176.600 0.047 0.000 1.086 297 K CA 0.867 57.181 56.287 0.045 0.000 1.052 297 K CB 0.794 33.313 32.500 0.032 0.000 0.904 297 K HN 0.354 nan 8.250 nan 0.000 0.557 298 T N 1.514 116.097 114.554 0.048 0.000 2.837 298 T HA 0.028 4.378 4.350 -0.000 0.000 0.248 298 T C 1.035 175.773 174.700 0.063 0.000 1.033 298 T CA 0.721 62.852 62.100 0.052 0.000 1.150 298 T CB 0.011 68.908 68.868 0.050 0.000 0.865 298 T HN 0.248 nan 8.240 nan 0.000 0.425 299 V N 1.583 121.536 119.914 0.065 0.000 3.051 299 V HA 0.395 4.515 4.120 -0.000 0.000 0.306 299 V C 0.108 176.246 176.094 0.072 0.000 1.083 299 V CA -0.633 61.707 62.300 0.067 0.000 1.104 299 V CB 0.432 32.297 31.823 0.071 0.000 1.027 299 V HN 0.170 nan 8.190 nan 0.000 0.483 300 T N 4.529 119.116 114.554 0.054 0.000 2.882 300 T HA 0.580 4.930 4.350 -0.000 0.000 0.287 300 T C -0.193 174.556 174.700 0.083 0.000 0.992 300 T CA -0.293 61.842 62.100 0.058 0.000 1.076 300 T CB 0.829 69.690 68.868 -0.011 0.000 0.961 300 T HN 0.607 nan 8.240 nan 0.000 0.490 301 L N 3.032 124.340 121.223 0.142 0.000 2.295 301 L HA 0.466 4.806 4.340 -0.000 0.000 0.285 301 L C 0.280 177.226 176.870 0.128 0.000 1.035 301 L CA -0.699 54.250 54.840 0.182 0.000 0.806 301 L CB 1.611 43.865 42.059 0.325 0.000 1.214 301 L HN 0.555 nan 8.230 nan 0.000 0.426 302 Q N 1.787 121.628 119.800 0.067 0.000 2.303 302 Q HA 0.477 4.817 4.340 -0.000 0.000 0.257 302 Q C -0.242 175.736 176.000 -0.036 0.000 0.941 302 Q CA -0.508 55.271 55.803 -0.040 0.000 0.931 302 Q CB 1.733 30.457 28.738 -0.023 0.000 1.215 302 Q HN 0.763 nan 8.270 nan 0.000 0.437 303 G N 3.271 111.993 108.800 -0.131 0.000 2.384 303 G HA2 0.090 4.050 3.960 -0.000 0.000 0.316 303 G HA3 0.090 4.050 3.960 -0.000 0.000 0.316 303 G C 0.153 175.123 174.900 0.117 0.000 1.160 303 G CA -0.817 44.266 45.100 -0.028 0.000 0.936 303 G HN 0.922 nan 8.290 nan 0.000 0.455 304 N N 2.374 121.222 118.700 0.247 0.000 3.191 304 N HA -0.165 4.575 4.740 -0.000 0.000 0.211 304 N C 0.285 175.931 175.510 0.228 0.000 2.040 304 N CA 0.056 53.262 53.050 0.260 0.000 1.055 304 N CB -0.418 38.273 38.487 0.340 0.000 1.582 304 N HN 0.353 nan 8.380 nan 0.000 0.531 305 L N 0.141 121.428 121.223 0.106 0.000 2.490 305 L HA 0.087 4.427 4.340 -0.000 0.000 0.274 305 L C 0.259 177.051 176.870 -0.129 0.000 1.201 305 L CA -0.028 54.812 54.840 -0.000 0.000 0.869 305 L CB 0.196 42.179 42.059 -0.127 0.000 1.123 305 L HN 0.192 nan 8.230 nan 0.000 0.484 306 D N 7.039 127.353 120.400 -0.144 0.000 2.451 306 D HA 0.023 4.662 4.640 -0.000 0.000 0.254 306 D C -1.574 174.355 176.300 -0.618 0.000 1.204 306 D CA -1.424 52.282 54.000 -0.490 0.000 0.896 306 D CB 1.010 41.530 40.800 -0.466 0.000 1.136 306 D HN 0.403 nan 8.370 nan 0.000 0.499 307 P HA -0.193 nan 4.420 nan 0.000 0.216 307 P C 1.241 178.014 177.300 -0.879 0.000 1.150 307 P CA 0.851 63.429 63.100 -0.869 0.000 0.843 307 P CB -0.007 31.062 31.700 -1.052 0.000 0.787 308 C N -0.359 118.479 119.300 -0.770 0.000 2.437 308 C HA 0.096 4.555 4.460 -0.000 0.000 0.283 308 C C 3.045 177.818 174.990 -0.361 0.000 1.424 308 C CA 0.693 59.393 59.018 -0.530 0.000 1.782 308 C CB -1.967 25.714 27.740 -0.099 0.000 1.833 308 C HN 0.267 nan 8.230 nan 0.000 0.532 309 A N 0.589 123.196 122.820 -0.356 0.000 2.024 309 A HA -0.099 4.221 4.320 -0.000 0.000 0.220 309 A C 1.946 179.411 177.584 -0.198 0.000 1.164 309 A CA 1.232 53.142 52.037 -0.212 0.000 0.643 309 A CB -0.528 18.348 19.000 -0.207 0.000 0.806 309 A HN 0.665 nan 8.150 nan 0.000 0.451 310 L N -1.785 119.225 121.223 -0.355 0.000 2.633 310 L HA -0.128 4.212 4.340 -0.000 0.000 0.235 310 L C 1.842 178.670 176.870 -0.070 0.000 1.163 310 L CA 0.655 55.337 54.840 -0.263 0.000 0.859 310 L CB -0.540 41.264 42.059 -0.424 0.000 0.973 310 L HN 0.536 nan 8.230 nan 0.000 0.451 311 Y N 0.171 120.459 120.300 -0.019 0.000 2.475 311 Y HA 0.116 4.666 4.550 -0.000 0.000 0.289 311 Y C 1.901 177.852 175.900 0.085 0.000 1.121 311 Y CA -0.382 57.728 58.100 0.016 0.000 1.257 311 Y CB 0.058 38.505 38.460 -0.022 0.000 1.026 311 Y HN 0.158 nan 8.280 nan 0.000 0.555 312 A N 0.634 123.573 122.820 0.198 0.000 2.327 312 A HA 0.270 4.590 4.320 -0.000 0.000 0.255 312 A C 0.645 178.305 177.584 0.126 0.000 1.099 312 A CA -0.079 52.033 52.037 0.126 0.000 0.801 312 A CB -0.126 18.903 19.000 0.049 0.000 1.062 312 A HN 0.310 nan 8.150 nan 0.000 0.496 313 S N -0.531 115.204 115.700 0.059 0.000 2.589 313 S HA 0.092 4.562 4.470 -0.000 0.000 0.265 313 S C 0.653 175.138 174.600 -0.190 0.000 1.342 313 S CA 0.424 58.614 58.200 -0.016 0.000 1.005 313 S CB 0.381 63.587 63.200 0.010 0.000 0.909 313 S HN 0.678 nan 8.310 nan 0.000 0.555 314 E N 0.542 120.547 120.200 -0.326 0.000 2.160 314 E HA -0.229 4.121 4.350 -0.000 0.000 0.195 314 E C 1.920 178.449 176.600 -0.118 0.000 0.991 314 E CA 1.435 57.661 56.400 -0.290 0.000 0.810 314 E CB -0.121 29.439 29.700 -0.233 0.000 0.742 314 E HN 0.895 nan 8.360 nan 0.000 0.466 315 E N 1.225 121.383 120.200 -0.069 0.000 2.047 315 E HA -0.217 4.133 4.350 -0.000 0.000 0.191 315 E C 1.739 178.330 176.600 -0.014 0.000 0.987 315 E CA 1.043 57.429 56.400 -0.023 0.000 0.799 315 E CB 0.106 29.800 29.700 -0.009 0.000 0.752 315 E HN 0.266 nan 8.360 nan 0.000 0.449 316 E N 0.316 120.503 120.200 -0.022 0.000 2.153 316 E HA -0.173 4.177 4.350 -0.000 0.000 0.194 316 E C 2.129 178.720 176.600 -0.015 0.000 0.988 316 E CA 0.715 57.108 56.400 -0.012 0.000 0.811 316 E CB 0.029 29.727 29.700 -0.003 0.000 0.746 316 E HN 0.355 nan 8.360 nan 0.000 0.466 317 I N 0.809 121.360 120.570 -0.032 0.000 2.252 317 I HA -0.133 4.037 4.170 -0.000 0.000 0.245 317 I C 2.500 178.635 176.117 0.029 0.000 1.102 317 I CA 1.352 62.643 61.300 -0.015 0.000 1.385 317 I CB -1.498 36.470 38.000 -0.053 0.000 1.064 317 I HN 0.140 nan 8.210 nan 0.000 0.414 318 G N 0.399 109.218 108.800 0.032 0.000 2.418 318 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.217 318 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.217 318 G C 1.571 176.484 174.900 0.022 0.000 1.158 318 G CA 0.415 45.572 45.100 0.096 0.000 0.771 318 G HN 0.443 nan 8.290 nan 0.000 0.545 319 Q N -0.227 119.567 119.800 -0.010 0.000 2.079 319 Q HA 0.101 4.441 4.340 -0.000 0.000 0.200 319 Q C 2.639 178.603 176.000 -0.061 0.000 0.974 319 Q CA 0.791 56.557 55.803 -0.060 0.000 0.840 319 Q CB -0.254 28.467 28.738 -0.028 0.000 0.898 319 Q HN 0.419 nan 8.270 nan 0.000 0.430 320 L N -0.062 121.150 121.223 -0.019 0.000 2.093 320 L HA -0.156 4.184 4.340 -0.000 0.000 0.208 320 L C 2.290 179.176 176.870 0.026 0.000 1.085 320 L CA 0.609 55.450 54.840 0.001 0.000 0.755 320 L CB -0.353 41.711 42.059 0.008 0.000 0.904 320 L HN 0.103 nan 8.230 nan 0.000 0.435 321 V N 0.078 120.017 119.914 0.042 0.000 2.358 321 V HA -0.285 3.835 4.120 -0.000 0.000 0.246 321 V C 2.579 178.670 176.094 -0.004 0.000 1.047 321 V CA 1.780 64.132 62.300 0.087 0.000 1.035 321 V CB -0.461 31.432 31.823 0.117 0.000 0.658 321 V HN 0.442 nan 8.190 nan 0.000 0.452 322 K N -0.017 120.265 120.400 -0.196 0.000 2.032 322 K HA -0.307 4.013 4.320 -0.000 0.000 0.209 322 K C 2.273 178.791 176.600 -0.136 0.000 1.048 322 K CA 2.164 58.232 56.287 -0.365 0.000 0.927 322 K CB -0.141 31.951 32.500 -0.681 0.000 0.712 322 K HN 0.390 nan 8.250 nan 0.000 0.441 323 Q N 0.890 120.637 119.800 -0.088 0.000 2.124 323 Q HA -0.145 4.195 4.340 -0.000 0.000 0.202 323 Q C 2.007 178.004 176.000 -0.006 0.000 0.977 323 Q CA 1.887 57.664 55.803 -0.045 0.000 0.850 323 Q CB -0.193 28.524 28.738 -0.035 0.000 0.901 323 Q HN 0.443 nan 8.270 nan 0.000 0.429 324 M N -0.957 118.672 119.600 0.050 0.000 2.086 324 M HA -0.167 4.313 4.480 -0.000 0.000 0.261 324 M C 1.241 177.658 176.300 0.194 0.000 1.067 324 M CA 1.311 56.697 55.300 0.144 0.000 1.116 324 M CB -0.044 32.704 32.600 0.246 0.000 1.348 324 M HN 0.349 nan 8.290 nan 0.000 0.407 325 L N 0.837 122.156 121.223 0.159 0.000 2.083 325 L HA -0.238 4.102 4.340 -0.000 0.000 0.209 325 L C 1.987 178.891 176.870 0.057 0.000 1.083 325 L CA 1.764 56.694 54.840 0.150 0.000 0.752 325 L CB -1.126 41.029 42.059 0.161 0.000 0.899 325 L HN 0.313 nan 8.230 nan 0.000 0.433 326 D N -0.543 119.865 120.400 0.013 0.000 2.144 326 D HA -0.163 4.477 4.640 -0.000 0.000 0.199 326 D C 1.722 177.989 176.300 -0.054 0.000 0.984 326 D CA 1.106 55.094 54.000 -0.020 0.000 0.834 326 D CB -0.063 40.718 40.800 -0.032 0.000 0.955 326 D HN 0.328 nan 8.370 nan 0.000 0.465 327 D N -0.540 119.807 120.400 -0.088 0.000 2.123 327 D HA -0.053 4.587 4.640 -0.000 0.000 0.200 327 D C 1.894 178.039 176.300 -0.258 0.000 0.976 327 D CA 0.466 54.353 54.000 -0.188 0.000 0.831 327 D CB -0.411 40.227 40.800 -0.270 0.000 0.974 327 D HN 0.217 nan 8.370 nan 0.000 0.469 328 F N 0.537 120.317 119.950 -0.283 0.000 2.206 328 F HA 0.146 4.673 4.527 -0.000 0.000 0.298 328 F C 1.608 177.232 175.800 -0.293 0.000 1.090 328 F CA 1.010 58.748 58.000 -0.437 0.000 1.323 328 F CB -0.030 38.301 39.000 -1.114 0.000 1.028 328 F HN 0.013 nan 8.300 nan 0.000 0.492 329 G N 0.066 108.843 108.800 -0.038 0.000 2.705 329 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.686 329 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.686 329 G C -1.990 172.866 174.900 -0.073 0.000 1.285 329 G CA -0.468 44.592 45.100 -0.067 0.000 0.800 329 G HN 0.067 nan 8.290 nan 0.000 0.611 330 P HA -0.066 nan 4.420 nan 0.000 0.228 330 P C 0.335 177.569 177.300 -0.110 0.000 1.151 330 P CA 1.053 64.063 63.100 -0.150 0.000 0.770 330 P CB -0.009 31.559 31.700 -0.219 0.000 0.786 331 H N 0.449 119.583 119.070 0.108 0.000 2.481 331 H HA 0.318 4.873 4.556 -0.000 0.000 0.339 331 H C 0.625 176.026 175.328 0.122 0.000 1.131 331 H CA -0.718 55.386 56.048 0.093 0.000 1.301 331 H CB 0.417 30.219 29.762 0.067 0.000 1.476 331 H HN -0.092 nan 8.280 nan 0.000 0.529 332 R N 0.345 120.979 120.500 0.223 0.000 3.038 332 R HA -0.254 4.086 4.340 -0.000 0.000 0.242 332 R C -1.273 175.149 176.300 0.203 0.000 0.866 332 R CA 0.652 56.847 56.100 0.158 0.000 0.601 332 R CB -1.631 28.754 30.300 0.142 0.000 1.107 332 R HN 0.509 nan 8.270 nan 0.000 0.492 333 Y N 0.095 120.384 120.300 -0.017 0.000 2.479 333 Y HA 0.568 5.118 4.550 -0.000 0.000 0.338 333 Y C -1.080 174.750 175.900 -0.117 0.000 1.055 333 Y CA -1.722 56.320 58.100 -0.096 0.000 1.023 333 Y CB 1.409 39.804 38.460 -0.108 0.000 1.287 333 Y HN 0.115 nan 8.280 nan 0.000 0.447 334 I N 5.665 125.852 120.570 -0.637 0.000 2.439 334 I HA 0.639 4.809 4.170 -0.000 0.000 0.285 334 I C -0.141 175.427 176.117 -0.914 0.000 1.021 334 I CA -0.996 59.964 61.300 -0.567 0.000 1.091 334 I CB 1.658 39.580 38.000 -0.130 0.000 1.242 334 I HN 0.841 nan 8.210 nan 0.000 0.439 335 A N 5.584 127.850 122.820 -0.924 0.000 2.407 335 A HA 0.613 4.932 4.320 -0.000 0.000 0.248 335 A C -0.096 177.307 177.584 -0.302 0.000 1.082 335 A CA 0.204 51.862 52.037 -0.633 0.000 0.785 335 A CB 0.560 19.300 19.000 -0.432 0.000 1.020 335 A HN 0.793 nan 8.150 nan 0.000 0.489 336 N N -0.291 118.335 118.700 -0.124 0.000 3.465 336 N HA 0.273 5.013 4.740 -0.000 0.000 0.244 336 N C -1.395 174.051 175.510 -0.106 0.000 1.454 336 N CA -0.562 52.366 53.050 -0.203 0.000 0.865 336 N CB 0.253 38.381 38.487 -0.598 0.000 1.439 336 N HN 0.471 nan 8.380 nan 0.000 0.480 337 L N -0.018 121.004 121.223 -0.334 0.000 2.469 337 L HA 0.490 4.830 4.340 -0.000 0.000 0.253 337 L C 1.854 178.625 176.870 -0.166 0.000 1.143 337 L CA -0.253 54.371 54.840 -0.360 0.000 0.804 337 L CB 0.618 42.358 42.059 -0.532 0.000 1.214 337 L HN 0.832 nan 8.230 nan 0.000 0.476 338 G N -2.060 106.748 108.800 0.013 0.000 2.813 338 G HA2 0.008 3.968 3.960 -0.000 0.000 0.209 338 G HA3 0.008 3.968 3.960 -0.000 0.000 0.209 338 G C 0.334 175.557 174.900 0.538 0.000 1.150 338 G CA 0.379 45.690 45.100 0.352 0.000 0.785 338 G HN 0.698 nan 8.290 nan 0.000 0.535 339 H N -2.470 116.671 119.070 0.117 0.000 2.917 339 H HA 0.367 4.923 4.556 -0.000 0.000 0.299 339 H C 0.046 175.320 175.328 -0.089 0.000 1.418 339 H CA -0.740 55.416 56.048 0.180 0.000 1.138 339 H CB 0.868 30.890 29.762 0.434 0.000 1.830 339 H HN 0.143 nan 8.280 nan 0.000 0.514 340 G N 1.140 109.666 108.800 -0.457 0.000 2.614 340 G HA2 0.284 4.244 3.960 -0.000 0.000 0.239 340 G HA3 0.284 4.244 3.960 -0.000 0.000 0.239 340 G C -0.091 174.570 174.900 -0.397 0.000 1.240 340 G CA -0.467 44.391 45.100 -0.403 0.000 0.842 340 G HN 0.417 nan 8.290 nan 0.000 0.584 341 L N 0.335 121.322 121.223 -0.394 0.000 2.461 341 L HA 0.146 4.486 4.340 -0.000 0.000 0.272 341 L C 0.085 176.845 176.870 -0.184 0.000 1.197 341 L CA -0.055 54.496 54.840 -0.481 0.000 0.836 341 L CB 0.371 42.052 42.059 -0.629 0.000 1.105 341 L HN 0.477 nan 8.230 nan 0.000 0.477 342 Y N 2.117 122.262 120.300 -0.259 0.000 2.320 342 Y HA 0.148 4.698 4.550 -0.000 0.000 0.324 342 Y C -1.299 174.574 175.900 -0.045 0.000 1.190 342 Y CA -2.126 55.902 58.100 -0.120 0.000 1.215 342 Y CB 0.830 39.242 38.460 -0.079 0.000 1.221 342 Y HN 0.509 nan 8.280 nan 0.000 0.486 343 P HA -0.223 nan 4.420 nan 0.000 0.217 343 P C 0.502 177.890 177.300 0.147 0.000 1.148 343 P CA 1.796 64.976 63.100 0.133 0.000 0.834 343 P CB 0.108 31.861 31.700 0.088 0.000 0.783 344 D N -2.622 117.880 120.400 0.171 0.000 2.342 344 D HA 0.022 4.662 4.640 -0.000 0.000 0.221 344 D C 0.490 176.906 176.300 0.193 0.000 1.101 344 D CA 0.044 54.144 54.000 0.167 0.000 0.837 344 D CB -0.708 40.185 40.800 0.156 0.000 0.938 344 D HN 0.163 nan 8.370 nan 0.000 0.508 345 M N 0.706 120.393 119.600 0.145 0.000 2.242 345 M HA 0.102 4.582 4.480 -0.000 0.000 0.344 345 M C 0.118 176.460 176.300 0.068 0.000 1.140 345 M CA -0.386 54.928 55.300 0.024 0.000 1.160 345 M CB 0.961 33.425 32.600 -0.226 0.000 1.491 345 M HN -0.216 nan 8.290 nan 0.000 0.459 346 D N 3.129 123.509 120.400 -0.033 0.000 2.317 346 D HA 0.168 4.808 4.640 -0.000 0.000 0.252 346 D C -1.897 174.477 176.300 0.124 0.000 1.174 346 D CA -1.932 52.054 54.000 -0.023 0.000 0.866 346 D CB 1.348 41.952 40.800 -0.327 0.000 1.127 346 D HN 0.208 nan 8.370 nan 0.000 0.467 347 P HA -0.130 nan 4.420 nan 0.000 0.218 347 P C 0.945 178.482 177.300 0.395 0.000 1.148 347 P CA 0.875 64.255 63.100 0.468 0.000 0.822 347 P CB 0.390 32.320 31.700 0.385 0.000 0.784 348 E N -1.422 118.954 120.200 0.293 0.000 2.153 348 E HA -0.188 4.162 4.350 -0.000 0.000 0.194 348 E C 1.754 178.525 176.600 0.285 0.000 0.988 348 E CA 1.279 57.855 56.400 0.294 0.000 0.811 348 E CB -0.757 29.102 29.700 0.266 0.000 0.746 348 E HN 0.469 nan 8.360 nan 0.000 0.466 349 H N -0.545 118.537 119.070 0.020 0.000 2.470 349 H HA 0.039 4.595 4.556 -0.000 0.000 0.289 349 H C 2.076 177.325 175.328 -0.132 0.000 1.033 349 H CA 0.445 56.465 56.048 -0.047 0.000 1.331 349 H CB -0.072 29.651 29.762 -0.065 0.000 1.414 349 H HN -0.064 nan 8.280 nan 0.000 0.545 350 V N -0.231 119.620 119.914 -0.105 0.000 2.548 350 V HA -0.098 4.022 4.120 -0.000 0.000 0.249 350 V C 2.541 178.318 176.094 -0.527 0.000 1.055 350 V CA 1.727 63.789 62.300 -0.396 0.000 1.065 350 V CB -0.880 30.571 31.823 -0.620 0.000 0.681 350 V HN 0.570 nan 8.190 nan 0.000 0.462 351 G N -0.241 108.311 108.800 -0.414 0.000 2.408 351 G HA2 -0.152 3.808 3.960 -0.000 0.000 0.217 351 G HA3 -0.152 3.808 3.960 -0.000 0.000 0.217 351 G C 1.760 176.619 174.900 -0.069 0.000 1.150 351 G CA 0.934 45.938 45.100 -0.159 0.000 0.776 351 G HN 0.574 nan 8.290 nan 0.000 0.542 352 A N 0.524 123.318 122.820 -0.042 0.000 1.933 352 A HA 0.060 4.380 4.320 -0.000 0.000 0.218 352 A C 2.135 179.698 177.584 -0.035 0.000 1.175 352 A CA 1.593 53.603 52.037 -0.044 0.000 0.628 352 A CB -0.543 18.404 19.000 -0.088 0.000 0.814 352 A HN 0.417 nan 8.150 nan 0.000 0.444 353 F N 0.936 120.770 119.950 -0.194 0.000 2.075 353 F HA -0.156 4.371 4.527 -0.000 0.000 0.297 353 F C 2.215 177.891 175.800 -0.207 0.000 1.113 353 F CA 1.993 59.876 58.000 -0.195 0.000 1.218 353 F CB -0.654 38.195 39.000 -0.252 0.000 0.984 353 F HN 0.019 nan 8.300 nan 0.000 0.472 354 V N 0.867 120.533 119.914 -0.413 0.000 2.287 354 V HA -0.323 3.797 4.120 -0.000 0.000 0.248 354 V C 2.138 177.917 176.094 -0.524 0.000 1.053 354 V CA 2.349 64.314 62.300 -0.560 0.000 1.027 354 V CB -0.817 30.820 31.823 -0.311 0.000 0.646 354 V HN 0.292 nan 8.190 nan 0.000 0.447 355 D N 0.233 120.481 120.400 -0.254 0.000 2.144 355 D HA -0.083 4.557 4.640 -0.000 0.000 0.200 355 D C 2.181 178.395 176.300 -0.144 0.000 0.978 355 D CA 1.523 55.443 54.000 -0.134 0.000 0.833 355 D CB -0.351 40.419 40.800 -0.050 0.000 0.961 355 D HN 0.448 nan 8.370 nan 0.000 0.470 356 A N 0.460 123.190 122.820 -0.151 0.000 1.898 356 A HA -0.110 4.210 4.320 -0.000 0.000 0.216 356 A C 2.473 180.038 177.584 -0.032 0.000 1.181 356 A CA 1.040 53.049 52.037 -0.045 0.000 0.620 356 A CB -0.690 18.345 19.000 0.058 0.000 0.819 356 A HN 0.136 nan 8.150 nan 0.000 0.442 357 V N -0.219 119.556 119.914 -0.232 0.000 2.343 357 V HA -0.318 3.802 4.120 -0.000 0.000 0.247 357 V C 2.299 178.382 176.094 -0.018 0.000 1.051 357 V CA 2.377 64.560 62.300 -0.195 0.000 1.036 357 V CB -1.214 30.324 31.823 -0.477 0.000 0.654 357 V HN 0.738 nan 8.190 nan 0.000 0.451 358 H N -0.227 118.786 119.070 -0.094 0.000 2.321 358 H HA -0.174 4.381 4.556 -0.000 0.000 0.300 358 H C 2.459 177.731 175.328 -0.093 0.000 1.087 358 H CA 1.712 57.708 56.048 -0.086 0.000 1.319 358 H CB 0.069 29.727 29.762 -0.174 0.000 1.379 358 H HN 0.330 nan 8.280 nan 0.000 0.501 359 K N 0.374 120.763 120.400 -0.019 0.000 1.985 359 K HA -0.196 4.124 4.320 -0.000 0.000 0.210 359 K C 1.945 178.453 176.600 -0.153 0.000 1.047 359 K CA 1.619 57.816 56.287 -0.150 0.000 0.932 359 K CB -0.054 32.266 32.500 -0.300 0.000 0.716 359 K HN 0.421 nan 8.250 nan 0.000 0.439 360 H N 0.309 119.394 119.070 0.025 0.000 2.389 360 H HA -0.066 4.490 4.556 -0.000 0.000 0.299 360 H C 2.450 177.810 175.328 0.054 0.000 1.081 360 H CA 1.679 57.746 56.048 0.032 0.000 1.345 360 H CB -0.275 29.502 29.762 0.025 0.000 1.393 360 H HN 0.430 nan 8.280 nan 0.000 0.520 361 S N 0.961 116.769 115.700 0.181 0.000 2.399 361 S HA -0.115 4.355 4.470 -0.000 0.000 0.231 361 S C 2.098 176.779 174.600 0.136 0.000 1.022 361 S CA 0.731 59.031 58.200 0.165 0.000 0.983 361 S CB -0.125 63.192 63.200 0.194 0.000 0.803 361 S HN 0.335 nan 8.310 nan 0.000 0.480 362 R N 0.593 121.162 120.500 0.114 0.000 2.093 362 R HA 0.263 4.603 4.340 -0.000 0.000 0.224 362 R C 2.330 178.667 176.300 0.063 0.000 1.101 362 R CA 1.085 57.236 56.100 0.085 0.000 0.979 362 R CB -0.486 29.840 30.300 0.044 0.000 0.877 362 R HN 0.394 nan 8.270 nan 0.000 0.441 363 L N 0.403 121.662 121.223 0.061 0.000 2.056 363 L HA -0.154 4.186 4.340 -0.000 0.000 0.207 363 L C 2.194 179.105 176.870 0.068 0.000 1.078 363 L CA 0.636 55.513 54.840 0.061 0.000 0.749 363 L CB -0.315 41.793 42.059 0.082 0.000 0.901 363 L HN 0.174 nan 8.230 nan 0.000 0.433 364 L N -0.380 120.893 121.223 0.082 0.000 2.450 364 L HA -0.145 4.195 4.340 -0.000 0.000 0.224 364 L C 2.363 179.257 176.870 0.041 0.000 1.149 364 L CA 1.558 56.434 54.840 0.060 0.000 0.816 364 L CB -0.425 41.674 42.059 0.067 0.000 0.932 364 L HN 0.108 nan 8.230 nan 0.000 0.449 365 R N -2.112 118.418 120.500 0.051 0.000 2.164 365 R HA 0.132 4.472 4.340 -0.000 0.000 0.198 365 R C 0.846 177.173 176.300 0.045 0.000 1.028 365 R CA -0.057 56.072 56.100 0.047 0.000 1.083 365 R CB 0.125 30.462 30.300 0.061 0.000 1.026 365 R HN 0.242 nan 8.270 nan 0.000 0.514 366 Q N 0.000 119.826 119.800 0.044 0.000 2.315 366 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 366 Q CA 0.000 55.824 55.803 0.035 0.000 1.022 366 Q CB 0.000 28.756 28.738 0.031 0.000 1.108 366 Q HN 0.000 nan 8.270 nan 0.000 0.481