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 1z03_1_F DATA FIRST_RESID 16 DATA SEQUENCE ISDARANNAK TQSQYQPYKD AAWGFINHWY PALFTHELEE DQVQGIQICG DATA SEQUENCE VPIVLRRVNG KVFALKDQCL HRGVRLSEKP TCFTKSTISC WYHGFTFDLE DATA SEQUENCE TGKLVTIVAN PEDKLIGTTG VTTYPVHEVN GMIFVFVRED DFPDEDVPPL DATA SEQUENCE AHDLPFRFPE RSEQFPHPLW PSSPSVLDDN AVVHGMHRTG FGNWRIACEN DATA SEQUENCE GFDNAHILVH KDNTIVHAMD WVLPLGLLPT SDDCIAVVED DDGPKGMMQW DATA SEQUENCE LFTDKWAPVL ENQELGLKVE GLKGRHYRTS VVLPGVLMVE NWPEEHVVQY DATA SEQUENCE EWYVPITDDT HEYWEILVRV CPTDEDRKKF QYRYDHMYKP LCLHGFNDSD DATA SEQUENCE LYAREAMQNF YYDGTGWDDE QLVATDISPI TWRKLASRWN RGIAKPGRGV DATA SEQUENCE AGAVKDTSLI FKQTADGKRP GYKVEQI 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 16 I HA 0.000 nan 4.170 nan 0.000 0.288 16 I C 0.000 176.133 176.117 0.027 0.000 1.063 16 I CA 0.000 61.319 61.300 0.032 0.000 1.566 16 I CB 0.000 38.022 38.000 0.037 0.000 1.214 17 S N 2.888 118.605 115.700 0.028 0.000 2.580 17 S HA 0.200 4.670 4.470 -0.000 0.000 0.274 17 S C 0.656 175.273 174.600 0.029 0.000 1.329 17 S CA -0.163 58.052 58.200 0.025 0.000 1.036 17 S CB 0.833 64.047 63.200 0.023 0.000 0.919 17 S HN 0.558 nan 8.310 nan 0.000 0.515 18 D N 3.198 123.613 120.400 0.024 0.000 2.363 18 D HA 0.140 4.780 4.640 -0.000 0.000 0.226 18 D C 1.455 177.771 176.300 0.027 0.000 1.020 18 D CA 0.682 54.697 54.000 0.025 0.000 0.892 18 D CB -0.141 40.670 40.800 0.020 0.000 0.900 18 D HN 0.549 nan 8.370 nan 0.000 0.531 19 A N 0.839 123.675 122.820 0.028 0.000 2.251 19 A HA 0.008 4.328 4.320 -0.000 0.000 0.209 19 A C 1.078 178.684 177.584 0.037 0.000 1.187 19 A CA -0.263 51.792 52.037 0.029 0.000 0.823 19 A CB -0.331 18.683 19.000 0.024 0.000 0.846 19 A HN 0.211 nan 8.150 nan 0.000 0.486 20 R N -1.176 119.351 120.500 0.044 0.000 2.594 20 R HA 0.556 4.896 4.340 -0.000 0.000 0.272 20 R C 0.863 177.202 176.300 0.065 0.000 1.074 20 R CA 0.302 56.436 56.100 0.057 0.000 1.105 20 R CB 0.623 30.962 30.300 0.066 0.000 1.008 20 R HN -0.034 nan 8.270 nan 0.000 0.472 21 A N 2.811 125.678 122.820 0.078 0.000 2.015 21 A HA -0.190 4.130 4.320 -0.000 0.000 0.219 21 A C 0.852 178.501 177.584 0.108 0.000 1.163 21 A CA 1.237 53.326 52.037 0.088 0.000 0.646 21 A CB -0.886 18.172 19.000 0.097 0.000 0.806 21 A HN 0.966 nan 8.150 nan 0.000 0.448 22 N N 1.278 120.055 118.700 0.128 0.000 3.298 22 N HA 0.080 4.820 4.740 -0.000 0.000 0.292 22 N C -0.141 175.428 175.510 0.099 0.000 1.271 22 N CA -0.329 52.816 53.050 0.159 0.000 1.184 22 N CB -0.253 38.379 38.487 0.242 0.000 1.452 22 N HN 0.658 nan 8.380 nan 0.000 0.534 23 N N 0.098 118.837 118.700 0.064 0.000 2.317 23 N HA 0.065 4.805 4.740 -0.000 0.000 0.245 23 N C 1.050 176.562 175.510 0.004 0.000 1.294 23 N CA -0.393 52.677 53.050 0.034 0.000 0.924 23 N CB 0.667 39.171 38.487 0.027 0.000 1.186 23 N HN 0.237 nan 8.380 nan 0.000 0.495 24 A N 0.536 123.354 122.820 -0.004 0.000 1.892 24 A HA -0.253 4.067 4.320 -0.000 0.000 0.218 24 A C 2.201 179.752 177.584 -0.055 0.000 1.188 24 A CA 1.545 53.566 52.037 -0.026 0.000 0.631 24 A CB -0.765 18.227 19.000 -0.015 0.000 0.822 24 A HN 0.786 nan 8.150 nan 0.000 0.447 25 K N -0.659 119.718 120.400 -0.038 0.000 2.032 25 K HA -0.136 4.184 4.320 -0.000 0.000 0.209 25 K C 2.073 178.626 176.600 -0.078 0.000 1.048 25 K CA 2.191 58.451 56.287 -0.046 0.000 0.927 25 K CB -0.890 31.599 32.500 -0.019 0.000 0.712 25 K HN 0.485 nan 8.250 nan 0.000 0.441 26 T N 1.983 116.499 114.554 -0.063 0.000 2.708 26 T HA -0.141 4.209 4.350 -0.000 0.000 0.266 26 T C 1.970 176.462 174.700 -0.347 0.000 1.037 26 T CA 1.484 63.536 62.100 -0.080 0.000 1.146 26 T CB -0.131 68.759 68.868 0.037 0.000 0.865 26 T HN 0.403 nan 8.240 nan 0.000 0.435 27 Q N 1.088 120.654 119.800 -0.390 0.000 2.124 27 Q HA -0.100 4.239 4.340 -0.000 0.000 0.202 27 Q C 2.661 178.270 176.000 -0.652 0.000 0.977 27 Q CA 1.637 56.983 55.803 -0.761 0.000 0.850 27 Q CB -0.358 28.223 28.738 -0.261 0.000 0.901 27 Q HN 0.661 nan 8.270 nan 0.000 0.429 28 S N 0.232 115.739 115.700 -0.321 0.000 2.507 28 S HA -0.136 4.334 4.470 -0.000 0.000 0.235 28 S C 1.600 176.089 174.600 -0.185 0.000 0.988 28 S CA 0.722 58.804 58.200 -0.196 0.000 0.944 28 S CB -0.039 63.096 63.200 -0.110 0.000 0.762 28 S HN 0.349 nan 8.310 nan 0.000 0.526 29 Q N 0.114 119.766 119.800 -0.247 0.000 2.425 29 Q HA 0.082 4.422 4.340 -0.000 0.000 0.204 29 Q C -0.206 175.785 176.000 -0.015 0.000 0.933 29 Q CA 0.462 56.199 55.803 -0.110 0.000 0.939 29 Q CB 0.030 28.741 28.738 -0.046 0.000 1.044 29 Q HN 1.053 nan 8.270 nan 0.000 0.513 30 Y N -2.903 117.403 120.300 0.009 0.000 2.629 30 Y HA 0.417 4.967 4.550 -0.000 0.000 0.282 30 Y C 1.062 176.988 175.900 0.043 0.000 0.994 30 Y CA -0.799 57.307 58.100 0.011 0.000 1.126 30 Y CB -0.442 37.995 38.460 -0.038 0.000 1.187 30 Y HN -0.185 nan 8.280 nan 0.000 0.600 31 Q N 2.344 122.205 119.800 0.103 0.000 2.079 31 Q HA 0.064 4.404 4.340 -0.000 0.000 0.200 31 Q C -1.002 175.052 176.000 0.089 0.000 0.974 31 Q CA 1.750 57.595 55.803 0.071 0.000 0.840 31 Q CB -0.941 27.803 28.738 0.010 0.000 0.898 31 Q HN 0.371 nan 8.270 nan 0.000 0.430 32 P HA -0.151 nan 4.420 nan 0.000 0.216 32 P C 0.570 177.991 177.300 0.202 0.000 1.150 32 P CA 1.091 64.279 63.100 0.146 0.000 0.837 32 P CB -0.235 31.555 31.700 0.150 0.000 0.786 33 Y N 1.076 121.432 120.300 0.092 0.000 2.200 33 Y HA -0.165 4.385 4.550 -0.000 0.000 0.290 33 Y C 1.975 177.698 175.900 -0.295 0.000 1.137 33 Y CA 1.678 59.779 58.100 0.001 0.000 1.163 33 Y CB -0.318 38.105 38.460 -0.061 0.000 0.988 33 Y HN -0.189 nan 8.280 nan 0.000 0.518 34 K N -0.294 120.013 120.400 -0.156 0.000 2.147 34 K HA -0.157 4.163 4.320 -0.000 0.000 0.205 34 K C 1.045 177.388 176.600 -0.428 0.000 1.049 34 K CA 1.455 57.436 56.287 -0.511 0.000 0.936 34 K CB -0.098 32.271 32.500 -0.219 0.000 0.722 34 K HN 0.350 nan 8.250 nan 0.000 0.446 35 D N 0.111 120.390 120.400 -0.201 0.000 2.355 35 D HA -0.005 4.635 4.640 -0.000 0.000 0.218 35 D C 0.443 176.681 176.300 -0.104 0.000 1.004 35 D CA 0.361 54.291 54.000 -0.115 0.000 0.880 35 D CB 0.352 41.139 40.800 -0.021 0.000 0.911 35 D HN 0.100 nan 8.370 nan 0.000 0.528 36 A N 0.352 123.041 122.820 -0.217 0.000 3.163 36 A HA 0.548 4.868 4.320 -0.000 0.000 0.283 36 A C 1.776 179.281 177.584 -0.132 0.000 1.412 36 A CA 0.137 52.044 52.037 -0.217 0.000 1.053 36 A CB -0.225 18.445 19.000 -0.551 0.000 1.082 36 A HN 0.078 nan 8.150 nan 0.000 0.639 37 A N -0.410 122.363 122.820 -0.078 0.000 1.940 37 A HA -0.146 4.174 4.320 -0.000 0.000 0.219 37 A C 1.467 179.101 177.584 0.084 0.000 1.176 37 A CA 1.233 53.245 52.037 -0.042 0.000 0.631 37 A CB -0.612 18.344 19.000 -0.073 0.000 0.814 37 A HN 0.798 nan 8.150 nan 0.000 0.446 38 W N -0.592 120.738 121.300 0.050 0.000 3.180 38 W HA 0.404 5.064 4.660 -0.000 0.000 0.254 38 W C 1.260 177.706 176.519 -0.121 0.000 1.318 38 W CA 1.168 58.519 57.345 0.009 0.000 1.608 38 W CB -0.295 29.152 29.460 -0.021 0.000 1.124 38 W HN 0.689 nan 8.180 nan 0.000 0.694 39 G N -0.364 108.439 108.800 0.005 0.000 2.612 39 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.686 39 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.686 39 G C -0.971 173.741 174.900 -0.314 0.000 1.274 39 G CA -1.367 43.447 45.100 -0.477 0.000 0.849 39 G HN -0.045 nan 8.290 nan 0.000 0.595 40 F N 0.149 120.007 119.950 -0.154 0.000 2.411 40 F HA 0.623 5.150 4.527 -0.000 0.000 0.355 40 F C 1.197 177.041 175.800 0.073 0.000 1.117 40 F CA -0.645 57.352 58.000 -0.006 0.000 1.139 40 F CB 1.340 40.280 39.000 -0.101 0.000 1.120 40 F HN 0.555 nan 8.300 nan 0.000 0.493 41 I N 3.314 124.051 120.570 0.278 0.000 2.918 41 I HA 0.298 4.468 4.170 -0.000 0.000 0.316 41 I C -0.052 176.075 176.117 0.018 0.000 1.001 41 I CA -0.442 60.924 61.300 0.110 0.000 1.142 41 I CB 1.051 39.062 38.000 0.018 0.000 1.356 41 I HN 0.822 nan 8.210 nan 0.000 0.524 42 N N 1.959 120.431 118.700 -0.380 0.000 2.816 42 N HA -0.186 4.554 4.740 -0.000 0.000 0.247 42 N C -1.322 173.576 175.510 -1.020 0.000 1.100 42 N CA 0.231 52.730 53.050 -0.919 0.000 0.687 42 N CB -1.313 36.783 38.487 -0.652 0.000 1.003 42 N HN 0.554 nan 8.380 nan 0.000 0.554 43 H N -1.753 116.768 119.070 -0.914 0.000 2.928 43 H HA 0.469 5.025 4.556 -0.000 0.000 0.371 43 H C -0.909 174.052 175.328 -0.612 0.000 1.186 43 H CA -0.427 55.300 56.048 -0.534 0.000 1.134 43 H CB 0.739 30.286 29.762 -0.358 0.000 1.824 43 H HN 0.144 nan 8.280 nan 0.000 0.554 44 W N 1.809 123.059 121.300 -0.084 0.000 2.316 44 W HA 0.404 5.064 4.660 -0.000 0.000 0.311 44 W C -0.850 175.497 176.519 -0.288 0.000 1.217 44 W CA 0.058 57.388 57.345 -0.025 0.000 1.199 44 W CB 0.454 29.926 29.460 0.020 0.000 1.202 44 W HN 0.386 nan 8.180 nan 0.000 0.528 45 Y N 3.310 123.757 120.300 0.246 0.000 2.524 45 Y HA 0.346 4.896 4.550 -0.000 0.000 0.347 45 Y C -1.965 173.761 175.900 -0.291 0.000 1.005 45 Y CA -2.927 55.149 58.100 -0.040 0.000 1.025 45 Y CB 2.061 40.428 38.460 -0.154 0.000 1.275 45 Y HN 0.142 nan 8.280 nan 0.000 0.460 46 P HA 0.171 nan 4.420 nan 0.000 0.276 46 P C -0.493 176.165 177.300 -1.069 0.000 1.230 46 P CA 0.276 62.366 63.100 -1.682 0.000 0.776 46 P CB 1.992 31.838 31.700 -3.090 0.000 0.888 47 A N 4.641 127.074 122.820 -0.646 0.000 1.969 47 A HA 0.357 4.677 4.320 -0.000 0.000 0.205 47 A C 0.753 178.362 177.584 0.043 0.000 1.364 47 A CA 0.831 52.772 52.037 -0.161 0.000 0.756 47 A CB -0.043 18.898 19.000 -0.097 0.000 0.988 47 A HN 0.527 nan 8.150 nan 0.000 0.490 48 L N -2.086 119.101 121.223 -0.060 0.000 2.568 48 L HA 0.478 4.818 4.340 -0.000 0.000 0.257 48 L C -1.348 175.491 176.870 -0.052 0.000 1.024 48 L CA -0.855 54.008 54.840 0.037 0.000 0.854 48 L CB 1.989 44.064 42.059 0.027 0.000 1.460 48 L HN 0.292 nan 8.230 nan 0.000 0.409 49 F N -0.300 119.665 119.950 0.025 0.000 2.382 49 F HA 0.167 4.694 4.527 -0.000 0.000 0.331 49 F C 1.695 177.367 175.800 -0.214 0.000 1.121 49 F CA -0.044 57.866 58.000 -0.149 0.000 1.183 49 F CB 1.522 40.253 39.000 -0.448 0.000 1.207 49 F HN 0.527 nan 8.300 nan 0.000 0.555 50 T N -0.014 114.598 114.554 0.097 0.000 2.699 50 T HA -0.293 4.057 4.350 -0.000 0.000 0.268 50 T C 1.706 176.450 174.700 0.072 0.000 1.036 50 T CA 2.245 64.388 62.100 0.070 0.000 1.147 50 T CB -0.632 68.296 68.868 0.100 0.000 0.862 50 T HN 0.700 nan 8.240 nan 0.000 0.446 51 H N 0.874 120.030 119.070 0.143 0.000 2.545 51 H HA 0.149 4.705 4.556 -0.000 0.000 0.282 51 H C 1.617 177.006 175.328 0.101 0.000 1.020 51 H CA 1.004 57.107 56.048 0.092 0.000 1.243 51 H CB -0.451 29.338 29.762 0.045 0.000 1.377 51 H HN 0.415 nan 8.280 nan 0.000 0.581 52 E N -0.216 119.976 120.200 -0.013 0.000 2.478 52 E HA 0.133 4.483 4.350 -0.000 0.000 0.194 52 E C -0.493 176.151 176.600 0.073 0.000 1.045 52 E CA -0.027 56.420 56.400 0.078 0.000 0.868 52 E CB 0.471 30.201 29.700 0.050 0.000 0.885 52 E HN 0.275 nan 8.360 nan 0.000 0.505 53 L N 1.603 122.866 121.223 0.067 0.000 2.529 53 L HA 0.237 4.577 4.340 -0.000 0.000 0.260 53 L C -0.730 176.182 176.870 0.069 0.000 0.997 53 L CA -0.196 54.680 54.840 0.061 0.000 0.885 53 L CB 1.235 43.324 42.059 0.051 0.000 1.185 53 L HN -0.182 nan 8.230 nan 0.000 0.442 54 E N 1.084 121.325 120.200 0.069 0.000 2.322 54 E HA 0.234 4.584 4.350 -0.000 0.000 0.257 54 E C -0.578 176.059 176.600 0.062 0.000 1.155 54 E CA -0.836 55.604 56.400 0.066 0.000 0.936 54 E CB 0.784 30.521 29.700 0.061 0.000 1.130 54 E HN 0.438 nan 8.360 nan 0.000 0.465 55 E N 1.121 121.357 120.200 0.059 0.000 2.558 55 E HA -0.152 4.198 4.350 -0.000 0.000 0.255 55 E C -0.656 175.976 176.600 0.053 0.000 0.968 55 E CA 0.626 57.062 56.400 0.059 0.000 0.939 55 E CB -0.073 29.659 29.700 0.053 0.000 0.921 55 E HN 0.463 nan 8.360 nan 0.000 0.477 56 D N 1.644 122.079 120.400 0.059 0.000 2.946 56 D HA -0.229 4.410 4.640 -0.000 0.000 0.202 56 D C -0.489 175.833 176.300 0.038 0.000 1.068 56 D CA 1.293 55.321 54.000 0.045 0.000 1.011 56 D CB -0.931 39.889 40.800 0.033 0.000 1.105 56 D HN 0.710 nan 8.370 nan 0.000 0.425 57 Q N 0.164 119.991 119.800 0.045 0.000 2.299 57 Q HA 0.457 4.797 4.340 -0.000 0.000 0.246 57 Q C -0.715 175.309 176.000 0.040 0.000 0.935 57 Q CA -0.312 55.513 55.803 0.036 0.000 0.887 57 Q CB 1.314 30.077 28.738 0.041 0.000 1.223 57 Q HN 0.025 nan 8.270 nan 0.000 0.439 58 V N 3.392 123.321 119.914 0.026 0.000 2.540 58 V HA 0.373 4.493 4.120 -0.000 0.000 0.302 58 V C -0.908 175.193 176.094 0.011 0.000 1.035 58 V CA -0.636 61.680 62.300 0.027 0.000 0.873 58 V CB 1.748 33.585 31.823 0.023 0.000 0.992 58 V HN 0.794 nan 8.190 nan 0.000 0.428 59 Q N 2.514 122.318 119.800 0.008 0.000 2.331 59 Q HA 0.714 5.054 4.340 -0.000 0.000 0.272 59 Q C -0.460 175.513 176.000 -0.046 0.000 1.062 59 Q CA -0.149 55.641 55.803 -0.021 0.000 0.806 59 Q CB 2.275 31.001 28.738 -0.020 0.000 1.312 59 Q HN 0.911 nan 8.270 nan 0.000 0.431 60 G N 3.502 112.258 108.800 -0.075 0.000 2.388 60 G HA2 0.716 4.676 3.960 -0.000 0.000 0.330 60 G HA3 0.716 4.676 3.960 -0.000 0.000 0.330 60 G C -0.586 174.186 174.900 -0.215 0.000 1.142 60 G CA -0.494 44.545 45.100 -0.102 0.000 0.908 60 G HN 0.767 nan 8.290 nan 0.000 0.473 61 I N -1.808 118.599 120.570 -0.271 0.000 3.509 61 I HA 0.794 4.964 4.170 -0.000 0.000 0.311 61 I C -1.261 174.677 176.117 -0.298 0.000 1.178 61 I CA -1.368 59.629 61.300 -0.505 0.000 0.963 61 I CB 2.486 40.072 38.000 -0.689 0.000 1.352 61 I HN 0.461 nan 8.210 nan 0.000 0.482 62 Q N 1.482 121.138 119.800 -0.240 0.000 2.263 62 Q HA 0.654 4.994 4.340 -0.000 0.000 0.262 62 Q C -2.174 173.848 176.000 0.036 0.000 0.984 62 Q CA -0.503 55.263 55.803 -0.062 0.000 0.813 62 Q CB 2.732 31.468 28.738 -0.004 0.000 1.299 62 Q HN 0.706 nan 8.270 nan 0.000 0.428 63 I N 2.513 123.035 120.570 -0.079 0.000 2.533 63 I HA 0.301 4.471 4.170 -0.000 0.000 0.290 63 I C -0.043 175.945 176.117 -0.215 0.000 1.056 63 I CA -0.892 60.300 61.300 -0.180 0.000 1.057 63 I CB 2.070 39.895 38.000 -0.292 0.000 1.240 63 I HN 0.894 nan 8.210 nan 0.000 0.423 64 C N 4.961 124.124 119.300 -0.228 0.000 4.356 64 C HA -0.163 4.297 4.460 -0.000 0.000 0.296 64 C C 1.599 176.644 174.990 0.093 0.000 1.424 64 C CA 0.776 59.724 59.018 -0.116 0.000 2.000 64 C CB -2.467 25.154 27.740 -0.198 0.000 1.262 64 C HN 1.350 nan 8.230 nan 0.000 0.789 65 G N -2.014 106.898 108.800 0.187 0.000 2.205 65 G HA2 -0.216 3.743 3.960 -0.000 0.000 0.261 65 G HA3 -0.216 3.743 3.960 -0.000 0.000 0.261 65 G C -0.007 174.930 174.900 0.061 0.000 0.980 65 G CA 0.282 45.555 45.100 0.288 0.000 0.632 65 G HN 1.347 nan 8.290 nan 0.000 0.533 66 V N 3.569 123.465 119.914 -0.030 0.000 2.385 66 V HA 0.443 4.562 4.120 -0.000 0.000 0.269 66 V C -1.438 174.589 176.094 -0.112 0.000 1.043 66 V CA -1.386 60.862 62.300 -0.088 0.000 0.906 66 V CB 1.431 33.154 31.823 -0.166 0.000 0.995 66 V HN 0.238 nan 8.190 nan 0.000 0.467 67 P HA 0.412 nan 4.420 nan 0.000 0.281 67 P C -0.810 176.429 177.300 -0.101 0.000 1.252 67 P CA 0.000 63.057 63.100 -0.071 0.000 0.778 67 P CB 1.142 32.825 31.700 -0.028 0.000 0.895 68 I N 2.973 123.462 120.570 -0.135 0.000 2.582 68 I HA 0.377 4.546 4.170 -0.000 0.000 0.292 68 I C -0.171 175.905 176.117 -0.069 0.000 1.066 68 I CA -1.203 60.020 61.300 -0.129 0.000 1.053 68 I CB 2.730 40.574 38.000 -0.261 0.000 1.241 68 I HN 0.074 nan 8.210 nan 0.000 0.421 69 V N 7.435 127.350 119.914 0.001 0.000 2.555 69 V HA 0.637 4.757 4.120 -0.000 0.000 0.302 69 V C -1.137 174.992 176.094 0.058 0.000 1.038 69 V CA -0.346 61.965 62.300 0.018 0.000 0.887 69 V CB 1.875 33.723 31.823 0.040 0.000 0.991 69 V HN 0.522 nan 8.190 nan 0.000 0.434 70 L N 6.589 127.841 121.223 0.049 0.000 2.354 70 L HA 0.753 5.093 4.340 -0.000 0.000 0.269 70 L C -0.185 176.742 176.870 0.095 0.000 1.005 70 L CA -0.376 54.517 54.840 0.088 0.000 0.819 70 L CB 1.893 43.989 42.059 0.061 0.000 1.311 70 L HN 0.706 nan 8.230 nan 0.000 0.423 71 R N 1.547 122.135 120.500 0.147 0.000 2.604 71 R HA 0.554 4.894 4.340 -0.000 0.000 0.281 71 R C -1.272 175.147 176.300 0.200 0.000 1.020 71 R CA -0.807 55.378 56.100 0.141 0.000 0.899 71 R CB 1.872 32.243 30.300 0.118 0.000 1.205 71 R HN 0.695 nan 8.270 nan 0.000 0.450 72 R N 3.640 124.230 120.500 0.150 0.000 2.294 72 R HA 0.464 4.804 4.340 -0.000 0.000 0.319 72 R C -1.500 174.899 176.300 0.165 0.000 0.984 72 R CA -0.445 55.752 56.100 0.163 0.000 0.861 72 R CB 1.462 31.825 30.300 0.104 0.000 1.104 72 R HN 0.324 nan 8.270 nan 0.000 0.451 73 V N 5.472 125.525 119.914 0.233 0.000 2.525 73 V HA 0.209 4.329 4.120 -0.000 0.000 0.299 73 V C -0.405 175.797 176.094 0.180 0.000 1.034 73 V CA -1.017 61.390 62.300 0.178 0.000 0.863 73 V CB 1.718 33.627 31.823 0.142 0.000 0.999 73 V HN 0.991 nan 8.190 nan 0.000 0.423 74 N N 3.938 122.707 118.700 0.115 0.000 2.727 74 N HA -0.223 4.517 4.740 -0.000 0.000 0.249 74 N C 1.234 176.799 175.510 0.090 0.000 1.048 74 N CA 1.583 54.690 53.050 0.095 0.000 0.714 74 N CB -1.035 37.510 38.487 0.098 0.000 0.959 74 N HN 1.584 nan 8.380 nan 0.000 0.544 75 G N -1.048 107.803 108.800 0.084 0.000 2.284 75 G HA2 -0.391 3.569 3.960 -0.000 0.000 0.261 75 G HA3 -0.391 3.569 3.960 -0.000 0.000 0.261 75 G C 0.086 175.016 174.900 0.051 0.000 0.997 75 G CA 1.004 46.142 45.100 0.063 0.000 0.621 75 G HN 0.661 nan 8.290 nan 0.000 0.534 76 K N 0.624 121.067 120.400 0.071 0.000 2.156 76 K HA 0.602 4.922 4.320 -0.000 0.000 0.271 76 K C 0.027 176.613 176.600 -0.024 0.000 0.995 76 K CA -0.636 55.635 56.287 -0.027 0.000 0.890 76 K CB 1.393 33.840 32.500 -0.088 0.000 1.073 76 K HN 0.020 nan 8.250 nan 0.000 0.454 77 V N 5.271 125.103 119.914 -0.138 0.000 2.439 77 V HA 0.402 4.521 4.120 -0.000 0.000 0.282 77 V C -0.639 175.323 176.094 -0.220 0.000 1.039 77 V CA -0.497 61.778 62.300 -0.043 0.000 0.913 77 V CB 0.597 32.422 31.823 0.004 0.000 0.983 77 V HN 0.582 nan 8.190 nan 0.000 0.460 78 F N 2.170 122.165 119.950 0.074 0.000 2.546 78 F HA 0.819 5.346 4.527 -0.000 0.000 0.320 78 F C 0.299 176.156 175.800 0.094 0.000 1.076 78 F CA -0.665 57.385 58.000 0.084 0.000 0.928 78 F CB 2.071 41.115 39.000 0.074 0.000 1.189 78 F HN 0.539 nan 8.300 nan 0.000 0.465 79 A N 3.242 126.239 122.820 0.294 0.000 2.374 79 A HA 0.896 5.215 4.320 -0.000 0.000 0.305 79 A C -1.676 176.092 177.584 0.307 0.000 1.053 79 A CA -0.471 51.722 52.037 0.260 0.000 0.726 79 A CB 0.966 20.111 19.000 0.242 0.000 1.229 79 A HN 0.612 nan 8.150 nan 0.000 0.431 80 L N 0.608 121.992 121.223 0.269 0.000 2.303 80 L HA 0.550 4.890 4.340 -0.000 0.000 0.256 80 L C 0.269 177.311 176.870 0.287 0.000 1.034 80 L CA -0.615 54.357 54.840 0.220 0.000 0.832 80 L CB 1.618 43.724 42.059 0.079 0.000 1.403 80 L HN 0.749 nan 8.230 nan 0.000 0.419 81 K N 0.745 121.303 120.400 0.263 0.000 2.416 81 K HA 0.022 4.342 4.320 -0.000 0.000 0.283 81 K C -0.451 176.168 176.600 0.032 0.000 1.037 81 K CA -0.151 56.268 56.287 0.220 0.000 0.995 81 K CB 0.389 32.979 32.500 0.149 0.000 0.938 81 K HN 0.513 nan 8.250 nan 0.000 0.475 82 D N 4.521 124.931 120.400 0.018 0.000 2.801 82 D HA -0.010 4.630 4.640 -0.000 0.000 0.232 82 D C -1.000 175.294 176.300 -0.010 0.000 1.128 82 D CA 0.481 54.480 54.000 -0.001 0.000 1.003 82 D CB -0.123 40.675 40.800 -0.004 0.000 1.110 82 D HN 0.479 nan 8.370 nan 0.000 0.477 83 Q N 2.060 121.829 119.800 -0.051 0.000 2.444 83 Q HA 0.157 4.497 4.340 -0.000 0.000 0.239 83 Q C -1.377 174.552 176.000 -0.118 0.000 0.853 83 Q CA -0.693 55.078 55.803 -0.055 0.000 0.856 83 Q CB 0.771 29.486 28.738 -0.039 0.000 1.413 83 Q HN 0.290 nan 8.270 nan 0.000 0.437 84 C N 5.097 124.347 119.300 -0.082 0.000 2.634 84 C HA 0.111 4.571 4.460 -0.000 0.000 0.418 84 C C 1.839 176.808 174.990 -0.036 0.000 1.373 84 C CA -0.235 58.752 59.018 -0.051 0.000 1.756 84 C CB -0.828 26.916 27.740 0.006 0.000 2.589 84 C HN 0.889 nan 8.230 nan 0.000 0.602 85 L N 4.614 125.870 121.223 0.054 0.000 2.551 85 L HA 0.066 4.406 4.340 -0.000 0.000 0.228 85 L C 2.121 179.006 176.870 0.026 0.000 1.153 85 L CA 1.591 56.476 54.840 0.075 0.000 0.851 85 L CB -1.519 40.653 42.059 0.190 0.000 0.959 85 L HN 0.919 nan 8.230 nan 0.000 0.451 86 H N 1.538 120.417 119.070 -0.317 0.000 2.265 86 H HA 0.095 4.651 4.556 -0.000 0.000 0.305 86 H C 0.794 175.921 175.328 -0.336 0.000 1.054 86 H CA 1.441 57.120 56.048 -0.616 0.000 1.296 86 H CB 0.366 29.260 29.762 -1.446 0.000 1.395 86 H HN 0.309 nan 8.280 nan 0.000 0.502 87 R N -0.604 119.600 120.500 -0.492 0.000 2.668 87 R HA 0.158 4.498 4.340 -0.000 0.000 0.435 87 R C 0.440 176.632 176.300 -0.180 0.000 1.059 87 R CA 0.397 56.248 56.100 -0.415 0.000 1.073 87 R CB 1.385 31.326 30.300 -0.598 0.000 1.401 87 R HN 0.664 nan 8.270 nan 0.000 0.590 88 G N 1.454 110.180 108.800 -0.124 0.000 2.168 88 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.257 88 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.257 88 G C 0.418 175.308 174.900 -0.016 0.000 0.997 88 G CA 0.604 45.669 45.100 -0.058 0.000 0.708 88 G HN 0.313 nan 8.290 nan 0.000 0.520 89 V N -2.873 117.032 119.914 -0.016 0.000 3.003 89 V HA 0.688 4.808 4.120 -0.000 0.000 0.305 89 V C 0.875 177.013 176.094 0.073 0.000 1.078 89 V CA -1.124 61.202 62.300 0.043 0.000 1.083 89 V CB 0.931 32.734 31.823 -0.034 0.000 1.039 89 V HN 0.340 nan 8.190 nan 0.000 0.481 90 R N 2.258 122.863 120.500 0.176 0.000 2.298 90 R HA 0.389 4.729 4.340 -0.000 0.000 0.310 90 R C 1.009 177.497 176.300 0.314 0.000 1.068 90 R CA -0.335 55.869 56.100 0.173 0.000 0.957 90 R CB 0.904 31.288 30.300 0.139 0.000 1.003 90 R HN 0.770 nan 8.270 nan 0.000 0.454 91 L N 1.655 123.004 121.223 0.210 0.000 2.131 91 L HA -0.188 4.152 4.340 -0.000 0.000 0.210 91 L C 2.223 179.273 176.870 0.300 0.000 1.092 91 L CA 1.429 56.437 54.840 0.279 0.000 0.759 91 L CB -0.347 41.805 42.059 0.155 0.000 0.903 91 L HN 0.684 nan 8.230 nan 0.000 0.435 92 S N -1.306 114.497 115.700 0.173 0.000 2.561 92 S HA -0.079 4.391 4.470 -0.000 0.000 0.225 92 S C 1.551 176.167 174.600 0.028 0.000 0.977 92 S CA 0.336 58.586 58.200 0.083 0.000 0.926 92 S CB -0.154 63.063 63.200 0.028 0.000 0.769 92 S HN 0.456 nan 8.310 nan 0.000 0.533 93 E N 1.189 121.422 120.200 0.056 0.000 2.107 93 E HA 0.050 4.400 4.350 -0.000 0.000 0.191 93 E C 0.822 177.193 176.600 -0.381 0.000 0.982 93 E CA 0.710 57.030 56.400 -0.134 0.000 0.809 93 E CB 0.092 29.735 29.700 -0.094 0.000 0.756 93 E HN 0.434 nan 8.360 nan 0.000 0.459 94 K N 0.950 121.014 120.400 -0.560 0.000 2.895 94 K HA 0.221 4.541 4.320 -0.000 0.000 0.191 94 K C -2.869 173.607 176.600 -0.207 0.000 1.117 94 K CA -2.089 53.849 56.287 -0.582 0.000 0.988 94 K CB 1.363 33.208 32.500 -1.091 0.000 1.181 94 K HN -0.203 nan 8.250 nan 0.000 0.598 95 P HA -0.085 nan 4.420 nan 0.000 0.255 95 P C -1.148 176.133 177.300 -0.031 0.000 1.161 95 P CA 0.665 63.759 63.100 -0.010 0.000 0.768 95 P CB 0.494 32.175 31.700 -0.030 0.000 0.746 96 T N 3.901 118.443 114.554 -0.021 0.000 3.038 96 T HA 0.321 4.671 4.350 -0.000 0.000 0.344 96 T C -0.824 173.660 174.700 -0.361 0.000 1.054 96 T CA -0.200 61.781 62.100 -0.197 0.000 1.092 96 T CB 0.119 68.944 68.868 -0.072 0.000 1.031 96 T HN 0.274 nan 8.240 nan 0.000 0.482 97 C N 2.869 121.923 119.300 -0.409 0.000 2.322 97 C HA 0.484 4.944 4.460 -0.000 0.000 0.324 97 C C 1.088 175.857 174.990 -0.369 0.000 1.249 97 C CA -0.820 58.010 59.018 -0.313 0.000 1.453 97 C CB -0.618 27.054 27.740 -0.113 0.000 2.145 97 C HN 0.974 nan 8.230 nan 0.000 0.466 98 F N 1.344 121.317 119.950 0.039 0.000 2.698 98 F HA 0.128 4.655 4.527 -0.000 0.000 0.295 98 F C 1.690 177.497 175.800 0.013 0.000 1.124 98 F CA 0.304 58.319 58.000 0.025 0.000 1.426 98 F CB 0.210 39.222 39.000 0.020 0.000 1.120 98 F HN 0.655 nan 8.300 nan 0.000 0.583 99 T N -3.883 110.755 114.554 0.140 0.000 2.864 99 T HA 0.292 4.642 4.350 -0.000 0.000 0.299 99 T C 0.564 175.280 174.700 0.026 0.000 1.166 99 T CA -0.945 61.202 62.100 0.078 0.000 1.007 99 T CB 2.111 71.019 68.868 0.067 0.000 1.219 99 T HN -0.275 nan 8.240 nan 0.000 0.506 100 K N 0.856 121.264 120.400 0.013 0.000 2.362 100 K HA -0.009 4.311 4.320 -0.000 0.000 0.200 100 K C 1.918 178.479 176.600 -0.065 0.000 1.046 100 K CA 1.443 57.725 56.287 -0.009 0.000 0.952 100 K CB -0.263 32.242 32.500 0.010 0.000 0.753 100 K HN 0.787 nan 8.250 nan 0.000 0.466 101 S N -0.518 115.142 115.700 -0.066 0.000 2.554 101 S HA 0.046 4.516 4.470 -0.000 0.000 0.226 101 S C 0.664 175.192 174.600 -0.120 0.000 0.980 101 S CA -0.328 57.795 58.200 -0.127 0.000 0.939 101 S CB 0.001 63.156 63.200 -0.075 0.000 0.832 101 S HN 0.247 nan 8.310 nan 0.000 0.486 102 T N -1.050 113.466 114.554 -0.063 0.000 2.778 102 T HA 0.755 5.105 4.350 -0.000 0.000 0.293 102 T C -1.076 173.634 174.700 0.018 0.000 1.144 102 T CA -0.899 61.195 62.100 -0.009 0.000 1.010 102 T CB 1.563 70.451 68.868 0.034 0.000 1.325 102 T HN 0.346 nan 8.240 nan 0.000 0.515 103 I N 0.607 121.231 120.570 0.090 0.000 2.607 103 I HA 0.613 4.783 4.170 -0.000 0.000 0.290 103 I C -1.176 175.063 176.117 0.203 0.000 1.129 103 I CA -0.406 60.959 61.300 0.109 0.000 1.042 103 I CB 2.101 40.175 38.000 0.124 0.000 1.242 103 I HN 0.863 nan 8.210 nan 0.000 0.421 104 S N 5.366 121.154 115.700 0.147 0.000 2.664 104 S HA 0.422 4.892 4.470 -0.000 0.000 0.304 104 S C -0.930 173.822 174.600 0.254 0.000 1.099 104 S CA -0.563 57.771 58.200 0.223 0.000 1.003 104 S CB 1.758 65.121 63.200 0.272 0.000 1.092 104 S HN 0.734 nan 8.310 nan 0.000 0.525 105 C N 4.250 123.715 119.300 0.276 0.000 2.415 105 C HA 0.394 4.854 4.460 -0.000 0.000 0.369 105 C C 1.740 176.778 174.990 0.081 0.000 1.279 105 C CA -0.847 58.248 59.018 0.128 0.000 1.886 105 C CB -1.018 26.789 27.740 0.112 0.000 2.468 105 C HN 1.040 nan 8.230 nan 0.000 0.553 106 W N 4.076 125.472 121.300 0.160 0.000 2.611 106 W HA -0.052 4.608 4.660 -0.000 0.000 0.251 106 W C 1.337 177.946 176.519 0.151 0.000 1.265 106 W CA 0.264 57.684 57.345 0.124 0.000 1.295 106 W CB -1.274 28.209 29.460 0.039 0.000 1.129 106 W HN 0.916 nan 8.180 nan 0.000 0.630 107 Y N 1.349 121.335 120.300 -0.523 0.000 2.159 107 Y HA -0.133 4.417 4.550 -0.000 0.000 0.285 107 Y C 1.619 177.243 175.900 -0.460 0.000 1.106 107 Y CA 1.725 59.478 58.100 -0.578 0.000 1.095 107 Y CB -0.315 37.589 38.460 -0.927 0.000 1.015 107 Y HN -0.097 nan 8.280 nan 0.000 0.491 108 H N -1.111 118.016 119.070 0.096 0.000 2.581 108 H HA 0.289 4.845 4.556 -0.000 0.000 0.275 108 H C 0.995 176.416 175.328 0.156 0.000 1.126 108 H CA 0.429 56.523 56.048 0.076 0.000 1.097 108 H CB 0.828 30.574 29.762 -0.026 0.000 1.626 108 H HN 0.577 nan 8.280 nan 0.000 0.565 109 G N 0.421 109.374 108.800 0.255 0.000 2.162 109 G HA2 -0.327 3.632 3.960 -0.000 0.000 0.260 109 G HA3 -0.327 3.632 3.960 -0.000 0.000 0.260 109 G C -0.086 174.947 174.900 0.221 0.000 0.976 109 G CA -0.323 44.921 45.100 0.240 0.000 0.655 109 G HN 0.221 nan 8.290 nan 0.000 0.533 110 F N 1.985 121.909 119.950 -0.044 0.000 2.608 110 F HA 0.406 4.933 4.527 -0.000 0.000 0.380 110 F C 1.262 176.843 175.800 -0.364 0.000 1.083 110 F CA 0.703 58.565 58.000 -0.229 0.000 1.266 110 F CB 0.750 39.665 39.000 -0.141 0.000 1.076 110 F HN -0.024 nan 8.300 nan 0.000 0.574 111 T N 5.522 119.798 114.554 -0.463 0.000 2.807 111 T HA 0.593 4.943 4.350 -0.000 0.000 0.279 111 T C -0.837 173.474 174.700 -0.649 0.000 0.993 111 T CA -0.424 61.459 62.100 -0.362 0.000 0.970 111 T CB 0.521 69.325 68.868 -0.106 0.000 0.950 111 T HN 0.124 nan 8.240 nan 0.000 0.441 112 F N 1.175 121.167 119.950 0.071 0.000 2.508 112 F HA 0.430 4.957 4.527 -0.000 0.000 0.325 112 F C 0.523 176.329 175.800 0.010 0.000 1.090 112 F CA -1.448 56.579 58.000 0.044 0.000 0.945 112 F CB 1.094 40.131 39.000 0.062 0.000 1.156 112 F HN 0.430 nan 8.300 nan 0.000 0.463 113 D N 2.140 122.630 120.400 0.150 0.000 2.383 113 D HA 0.176 4.816 4.640 -0.000 0.000 0.252 113 D C 0.985 177.310 176.300 0.041 0.000 1.166 113 D CA 0.147 54.179 54.000 0.053 0.000 0.879 113 D CB 0.899 41.719 40.800 0.035 0.000 1.164 113 D HN 0.541 nan 8.370 nan 0.000 0.462 114 L N 2.821 123.996 121.223 -0.080 0.000 2.083 114 L HA -0.123 4.217 4.340 -0.000 0.000 0.209 114 L C 2.103 178.944 176.870 -0.049 0.000 1.083 114 L CA 1.098 55.831 54.840 -0.177 0.000 0.752 114 L CB -0.338 41.339 42.059 -0.636 0.000 0.899 114 L HN 0.549 nan 8.230 nan 0.000 0.433 115 E N 0.059 120.233 120.200 -0.042 0.000 2.046 115 E HA -0.177 4.173 4.350 -0.000 0.000 0.190 115 E C 2.045 178.722 176.600 0.128 0.000 0.982 115 E CA 2.012 58.506 56.400 0.157 0.000 0.800 115 E CB 0.031 29.806 29.700 0.126 0.000 0.756 115 E HN 0.462 nan 8.360 nan 0.000 0.449 116 T N -4.574 110.026 114.554 0.077 0.000 3.015 116 T HA 0.319 4.669 4.350 -0.000 0.000 0.250 116 T C 1.588 176.326 174.700 0.062 0.000 1.057 116 T CA 0.556 62.694 62.100 0.063 0.000 1.066 116 T CB 0.429 69.327 68.868 0.050 0.000 0.959 116 T HN 0.349 nan 8.240 nan 0.000 0.488 117 G N 1.733 110.586 108.800 0.088 0.000 2.179 117 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.260 117 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.260 117 G C 0.013 175.036 174.900 0.204 0.000 0.977 117 G CA 0.391 45.561 45.100 0.117 0.000 0.641 117 G HN 0.864 nan 8.290 nan 0.000 0.533 118 K N 0.214 120.705 120.400 0.152 0.000 2.355 118 K HA 0.405 4.725 4.320 -0.000 0.000 0.270 118 K C 0.488 177.186 176.600 0.162 0.000 1.003 118 K CA -0.774 55.597 56.287 0.142 0.000 0.957 118 K CB 0.284 32.822 32.500 0.063 0.000 0.939 118 K HN 0.258 nan 8.250 nan 0.000 0.482 119 L N 7.063 128.356 121.223 0.118 0.000 2.454 119 L HA 0.036 4.376 4.340 -0.000 0.000 0.284 119 L C 0.662 177.436 176.870 -0.160 0.000 1.139 119 L CA 0.259 55.029 54.840 -0.116 0.000 0.911 119 L CB 0.576 42.581 42.059 -0.090 0.000 1.262 119 L HN 0.608 nan 8.230 nan 0.000 0.453 120 V N 1.621 121.430 119.914 -0.176 0.000 2.788 120 V HA 0.245 4.365 4.120 -0.000 0.000 0.251 120 V C 0.933 176.924 176.094 -0.172 0.000 1.068 120 V CA 1.247 63.468 62.300 -0.132 0.000 1.090 120 V CB -0.559 31.214 31.823 -0.084 0.000 0.710 120 V HN 0.875 nan 8.190 nan 0.000 0.467 121 T N -1.143 113.259 114.554 -0.252 0.000 2.663 121 T HA 0.570 4.920 4.350 -0.000 0.000 0.305 121 T C -2.137 172.348 174.700 -0.357 0.000 1.660 121 T CA -0.402 61.543 62.100 -0.258 0.000 0.976 121 T CB 1.422 70.188 68.868 -0.170 0.000 1.705 121 T HN 0.207 nan 8.240 nan 0.000 0.494 122 I N 2.629 123.007 120.570 -0.320 0.000 2.500 122 I HA 0.312 4.482 4.170 -0.000 0.000 0.286 122 I C 1.547 177.558 176.117 -0.177 0.000 1.063 122 I CA -0.869 60.236 61.300 -0.325 0.000 1.062 122 I CB 2.075 39.792 38.000 -0.473 0.000 1.223 122 I HN 0.527 nan 8.210 nan 0.000 0.435 123 V N 4.603 124.454 119.914 -0.106 0.000 2.242 123 V HA -0.378 3.742 4.120 -0.000 0.000 0.257 123 V C 1.851 177.882 176.094 -0.106 0.000 1.073 123 V CA 2.812 65.044 62.300 -0.113 0.000 1.058 123 V CB -0.535 31.238 31.823 -0.083 0.000 0.664 123 V HN 0.928 nan 8.190 nan 0.000 0.451 124 A N -0.862 121.918 122.820 -0.068 0.000 2.610 124 A HA 0.407 4.727 4.320 -0.000 0.000 0.286 124 A C 0.672 178.217 177.584 -0.065 0.000 1.306 124 A CA 0.349 52.352 52.037 -0.056 0.000 0.942 124 A CB -0.288 18.700 19.000 -0.020 0.000 1.112 124 A HN 0.538 nan 8.150 nan 0.000 0.527 125 N N -0.053 118.587 118.700 -0.100 0.000 2.635 125 N HA 0.126 4.866 4.740 -0.000 0.000 0.252 125 N C -2.301 173.117 175.510 -0.153 0.000 1.589 125 N CA -0.818 52.162 53.050 -0.116 0.000 0.828 125 N CB 0.868 39.281 38.487 -0.124 0.000 1.403 125 N HN 0.035 nan 8.380 nan 0.000 0.518 126 P HA -0.076 nan 4.420 nan 0.000 0.228 126 P C 0.000 177.225 177.300 -0.125 0.000 1.151 126 P CA 1.164 64.183 63.100 -0.136 0.000 0.770 126 P CB 0.433 32.068 31.700 -0.108 0.000 0.786 127 E N -0.426 119.708 120.200 -0.111 0.000 2.501 127 E HA 0.075 4.425 4.350 -0.000 0.000 0.200 127 E C -0.069 176.472 176.600 -0.098 0.000 1.016 127 E CA -0.355 55.988 56.400 -0.093 0.000 0.921 127 E CB -0.000 29.658 29.700 -0.070 0.000 1.034 127 E HN 0.276 nan 8.360 nan 0.000 0.468 128 D N 1.922 122.245 120.400 -0.129 0.000 2.443 128 D HA -0.063 4.576 4.640 -0.000 0.000 0.239 128 D C 1.338 177.572 176.300 -0.111 0.000 1.136 128 D CA 0.294 54.219 54.000 -0.124 0.000 0.879 128 D CB 0.867 41.563 40.800 -0.174 0.000 1.195 128 D HN 0.026 nan 8.370 nan 0.000 0.443 129 K N 2.735 123.088 120.400 -0.077 0.000 2.360 129 K HA -0.144 4.176 4.320 -0.000 0.000 0.201 129 K C 1.641 178.205 176.600 -0.060 0.000 1.046 129 K CA 0.659 56.910 56.287 -0.060 0.000 0.945 129 K CB -0.076 32.400 32.500 -0.039 0.000 0.750 129 K HN 0.362 nan 8.250 nan 0.000 0.464 130 L N 1.756 122.934 121.223 -0.075 0.000 2.217 130 L HA 0.143 4.483 4.340 -0.000 0.000 0.211 130 L C 0.634 177.449 176.870 -0.091 0.000 1.107 130 L CA 0.846 55.651 54.840 -0.059 0.000 0.783 130 L CB -0.086 41.948 42.059 -0.041 0.000 0.919 130 L HN 0.167 nan 8.230 nan 0.000 0.442 131 I N 0.532 121.010 120.570 -0.153 0.000 2.752 131 I HA 0.064 4.234 4.170 -0.000 0.000 0.289 131 I C 1.659 177.718 176.117 -0.097 0.000 1.197 131 I CA 0.950 62.149 61.300 -0.169 0.000 1.432 131 I CB -0.244 37.637 38.000 -0.198 0.000 1.359 131 I HN 0.482 nan 8.210 nan 0.000 0.571 132 G N 3.887 112.640 108.800 -0.078 0.000 2.245 132 G HA2 -0.364 3.596 3.960 -0.000 0.000 0.264 132 G HA3 -0.364 3.596 3.960 -0.000 0.000 0.264 132 G C 0.930 175.821 174.900 -0.015 0.000 0.985 132 G CA 0.760 45.836 45.100 -0.040 0.000 0.625 132 G HN 0.756 nan 8.290 nan 0.000 0.536 133 T N -2.972 111.576 114.554 -0.012 0.000 3.129 133 T HA 0.475 4.825 4.350 -0.000 0.000 0.251 133 T C 0.823 175.541 174.700 0.029 0.000 1.117 133 T CA 1.838 63.941 62.100 0.006 0.000 1.034 133 T CB 0.658 69.528 68.868 0.002 0.000 0.968 133 T HN 1.338 nan 8.240 nan 0.000 0.526 134 T N -1.507 113.077 114.554 0.049 0.000 2.653 134 T HA 0.623 4.973 4.350 -0.000 0.000 0.306 134 T C -1.218 173.561 174.700 0.131 0.000 1.426 134 T CA 0.117 62.267 62.100 0.083 0.000 1.008 134 T CB 1.203 70.131 68.868 0.100 0.000 1.692 134 T HN 0.743 nan 8.240 nan 0.000 0.483 135 G N -0.206 108.692 108.800 0.164 0.000 2.342 135 G HA2 0.549 4.509 3.960 -0.000 0.000 0.297 135 G HA3 0.549 4.509 3.960 -0.000 0.000 0.297 135 G C -1.006 173.971 174.900 0.127 0.000 1.313 135 G CA 0.130 45.377 45.100 0.245 0.000 0.830 135 G HN 1.541 nan 8.290 nan 0.000 0.506 136 V N -1.990 117.941 119.914 0.028 0.000 2.834 136 V HA 0.841 4.960 4.120 -0.000 0.000 0.313 136 V C 0.565 176.605 176.094 -0.089 0.000 1.060 136 V CA -0.546 61.686 62.300 -0.113 0.000 0.989 136 V CB 1.176 32.794 31.823 -0.342 0.000 1.041 136 V HN 0.903 nan 8.190 nan 0.000 0.459 137 T N 3.095 117.578 114.554 -0.118 0.000 2.932 137 T HA 0.405 4.755 4.350 -0.000 0.000 0.312 137 T C 0.448 174.913 174.700 -0.392 0.000 1.071 137 T CA 0.535 62.490 62.100 -0.242 0.000 1.128 137 T CB 0.396 69.091 68.868 -0.289 0.000 0.984 137 T HN 1.229 nan 8.240 nan 0.000 0.549 138 T N 0.087 114.371 114.554 -0.450 0.000 2.918 138 T HA 0.658 5.008 4.350 -0.000 0.000 0.286 138 T C -1.278 173.031 174.700 -0.651 0.000 1.026 138 T CA -0.865 61.020 62.100 -0.358 0.000 1.031 138 T CB 0.810 69.627 68.868 -0.084 0.000 1.046 138 T HN 0.482 nan 8.240 nan 0.000 0.479 139 Y N 0.592 120.932 120.300 0.065 0.000 2.361 139 Y HA 0.488 5.038 4.550 -0.000 0.000 0.337 139 Y C -2.540 173.398 175.900 0.063 0.000 0.965 139 Y CA -2.653 55.476 58.100 0.048 0.000 1.091 139 Y CB 1.786 40.251 38.460 0.008 0.000 1.182 139 Y HN 0.502 nan 8.280 nan 0.000 0.450 140 P HA 0.058 nan 4.420 nan 0.000 0.266 140 P C -0.885 176.561 177.300 0.244 0.000 1.195 140 P CA 0.091 63.274 63.100 0.138 0.000 0.768 140 P CB 0.728 32.442 31.700 0.024 0.000 0.838 141 V N 3.713 123.803 119.914 0.293 0.000 2.680 141 V HA 0.392 4.512 4.120 -0.000 0.000 0.309 141 V C -0.410 175.916 176.094 0.387 0.000 1.052 141 V CA -0.322 62.188 62.300 0.351 0.000 0.908 141 V CB 1.915 33.821 31.823 0.138 0.000 1.001 141 V HN 0.603 nan 8.190 nan 0.000 0.431 142 H N 3.346 122.595 119.070 0.298 0.000 3.177 142 H HA 0.391 4.947 4.556 -0.000 0.000 0.314 142 H C -0.869 174.517 175.328 0.097 0.000 1.059 142 H CA -0.374 55.714 56.048 0.065 0.000 1.515 142 H CB 1.385 30.979 29.762 -0.280 0.000 1.672 142 H HN 0.813 nan 8.280 nan 0.000 0.514 143 E N 4.263 124.603 120.200 0.234 0.000 2.174 143 E HA 0.501 4.851 4.350 -0.000 0.000 0.282 143 E C -1.321 175.408 176.600 0.216 0.000 0.992 143 E CA -0.739 55.777 56.400 0.193 0.000 0.803 143 E CB 1.455 31.201 29.700 0.078 0.000 1.090 143 E HN 0.282 nan 8.360 nan 0.000 0.396 144 V N 5.495 125.541 119.914 0.221 0.000 2.817 144 V HA 0.219 4.339 4.120 -0.000 0.000 0.303 144 V C -1.144 175.034 176.094 0.140 0.000 1.151 144 V CA -0.705 61.698 62.300 0.172 0.000 0.929 144 V CB 1.816 33.745 31.823 0.177 0.000 1.030 144 V HN 0.950 nan 8.190 nan 0.000 0.427 145 N N 4.701 123.463 118.700 0.104 0.000 2.699 145 N HA -0.207 4.533 4.740 -0.000 0.000 0.256 145 N C 1.054 176.632 175.510 0.113 0.000 0.993 145 N CA 1.899 55.007 53.050 0.097 0.000 0.759 145 N CB -0.997 37.546 38.487 0.093 0.000 0.906 145 N HN 1.913 nan 8.380 nan 0.000 0.541 146 G N -1.683 107.185 108.800 0.113 0.000 2.176 146 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.253 146 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.253 146 G C 0.021 175.033 174.900 0.187 0.000 0.979 146 G CA 0.546 45.732 45.100 0.144 0.000 0.641 146 G HN 0.430 nan 8.290 nan 0.000 0.530 147 M N 0.351 120.010 119.600 0.098 0.000 2.395 147 M HA 0.575 5.055 4.480 -0.000 0.000 0.307 147 M C -0.360 175.830 176.300 -0.183 0.000 1.091 147 M CA -0.682 54.554 55.300 -0.106 0.000 0.919 147 M CB 2.347 34.765 32.600 -0.304 0.000 1.662 147 M HN 0.026 nan 8.290 nan 0.000 0.440 148 I N 3.203 123.585 120.570 -0.313 0.000 2.307 148 I HA 0.354 4.524 4.170 -0.000 0.000 0.289 148 I C -1.074 174.828 176.117 -0.360 0.000 1.021 148 I CA -0.294 60.897 61.300 -0.181 0.000 1.224 148 I CB 0.495 38.444 38.000 -0.085 0.000 1.376 148 I HN 0.500 nan 8.210 nan 0.000 0.470 149 F N 5.467 125.380 119.950 -0.063 0.000 2.397 149 F HA 0.591 5.118 4.527 -0.000 0.000 0.331 149 F C 0.194 176.154 175.800 0.266 0.000 1.090 149 F CA -0.654 57.341 58.000 -0.008 0.000 1.065 149 F CB 1.725 40.692 39.000 -0.055 0.000 1.184 149 F HN 0.011 nan 8.300 nan 0.000 0.499 150 V N 2.950 123.134 119.914 0.450 0.000 2.709 150 V HA 0.242 4.362 4.120 -0.000 0.000 0.308 150 V C -1.122 175.045 176.094 0.123 0.000 1.062 150 V CA -0.971 61.511 62.300 0.303 0.000 0.901 150 V CB 2.043 33.924 31.823 0.097 0.000 1.003 150 V HN 0.521 nan 8.190 nan 0.000 0.425 151 F N 5.340 124.993 119.950 -0.495 0.000 2.405 151 F HA 0.491 5.018 4.527 -0.000 0.000 0.358 151 F C 0.156 175.779 175.800 -0.295 0.000 1.151 151 F CA -0.376 57.092 58.000 -0.886 0.000 1.161 151 F CB 0.759 38.835 39.000 -1.541 0.000 1.245 151 F HN 0.284 nan 8.300 nan 0.000 0.545 152 V N 7.745 127.356 119.914 -0.505 0.000 2.405 152 V HA 0.341 4.460 4.120 -0.000 0.000 0.264 152 V C 0.044 175.838 176.094 -0.499 0.000 1.048 152 V CA -0.252 61.832 62.300 -0.360 0.000 0.966 152 V CB 0.098 31.769 31.823 -0.253 0.000 1.015 152 V HN 0.774 nan 8.190 nan 0.000 0.477 153 R N 3.009 123.408 120.500 -0.169 0.000 2.888 153 R HA 0.710 5.050 4.340 -0.000 0.000 0.264 153 R C -0.666 175.658 176.300 0.041 0.000 1.045 153 R CA -1.031 54.931 56.100 -0.230 0.000 0.962 153 R CB 1.889 32.079 30.300 -0.184 0.000 1.210 153 R HN 0.514 nan 8.270 nan 0.000 0.479 154 E N 0.398 120.617 120.200 0.032 0.000 2.392 154 E HA -0.008 4.341 4.350 -0.000 0.000 0.256 154 E C -0.096 176.576 176.600 0.120 0.000 1.145 154 E CA -0.450 56.005 56.400 0.092 0.000 0.929 154 E CB 0.584 30.352 29.700 0.113 0.000 0.998 154 E HN 0.532 nan 8.360 nan 0.000 0.442 155 D N 1.270 121.718 120.400 0.081 0.000 2.182 155 D HA -0.158 4.482 4.640 -0.000 0.000 0.201 155 D C 0.995 177.331 176.300 0.061 0.000 0.986 155 D CA 1.291 55.320 54.000 0.048 0.000 0.847 155 D CB -0.143 40.675 40.800 0.029 0.000 0.942 155 D HN 0.463 nan 8.370 nan 0.000 0.467 156 D N -0.893 119.560 120.400 0.088 0.000 2.340 156 D HA -0.074 4.566 4.640 -0.000 0.000 0.217 156 D C 0.098 176.466 176.300 0.113 0.000 1.081 156 D CA -0.581 53.465 54.000 0.076 0.000 0.842 156 D CB -1.008 39.822 40.800 0.050 0.000 0.934 156 D HN 0.055 nan 8.370 nan 0.000 0.511 157 F N 3.447 123.414 119.950 0.029 0.000 2.502 157 F HA 0.251 4.778 4.527 -0.000 0.000 0.371 157 F C -1.875 173.947 175.800 0.038 0.000 1.083 157 F CA -2.299 55.734 58.000 0.053 0.000 1.174 157 F CB 0.480 39.544 39.000 0.107 0.000 1.096 157 F HN -0.171 nan 8.300 nan 0.000 0.545 158 P HA -0.012 nan 4.420 nan 0.000 0.268 158 P C -0.102 177.137 177.300 -0.102 0.000 1.204 158 P CA -0.010 62.975 63.100 -0.191 0.000 0.768 158 P CB 0.947 32.498 31.700 -0.249 0.000 0.842 159 D N 2.038 122.428 120.400 -0.016 0.000 2.104 159 D HA -0.188 4.452 4.640 -0.000 0.000 0.194 159 D C 1.721 178.006 176.300 -0.026 0.000 0.994 159 D CA 1.488 55.495 54.000 0.012 0.000 0.830 159 D CB -0.219 40.585 40.800 0.006 0.000 0.959 159 D HN 0.567 nan 8.370 nan 0.000 0.452 160 E N 0.663 120.828 120.200 -0.058 0.000 2.401 160 E HA -0.159 4.191 4.350 -0.000 0.000 0.199 160 E C 0.523 177.076 176.600 -0.079 0.000 1.023 160 E CA 0.809 57.173 56.400 -0.060 0.000 0.859 160 E CB -0.184 29.481 29.700 -0.058 0.000 0.780 160 E HN 0.268 nan 8.360 nan 0.000 0.523 161 D N 0.672 120.991 120.400 -0.134 0.000 2.360 161 D HA 0.073 4.713 4.640 -0.000 0.000 0.210 161 D C 0.033 176.379 176.300 0.076 0.000 1.047 161 D CA -0.036 53.877 54.000 -0.144 0.000 0.854 161 D CB 0.549 41.033 40.800 -0.527 0.000 0.936 161 D HN -0.046 nan 8.370 nan 0.000 0.514 162 V N 4.531 124.476 119.914 0.053 0.000 2.493 162 V HA 0.076 4.196 4.120 -0.000 0.000 0.292 162 V C -1.552 174.427 176.094 -0.192 0.000 1.016 162 V CA -0.652 61.497 62.300 -0.251 0.000 1.097 162 V CB 0.433 32.021 31.823 -0.392 0.000 0.947 162 V HN 0.087 nan 8.190 nan 0.000 0.479 163 P HA 0.420 nan 4.420 nan 0.000 0.278 163 P C -2.780 174.526 177.300 0.011 0.000 1.266 163 P CA -2.065 61.001 63.100 -0.056 0.000 0.807 163 P CB 0.642 32.386 31.700 0.073 0.000 1.094 164 P HA 0.035 nan 4.420 nan 0.000 0.275 164 P C 1.058 178.098 177.300 -0.434 0.000 1.228 164 P CA -0.362 62.558 63.100 -0.301 0.000 0.786 164 P CB 0.728 32.181 31.700 -0.411 0.000 0.927 165 L N 3.839 124.529 121.223 -0.889 0.000 2.089 165 L HA -0.231 4.109 4.340 -0.000 0.000 0.213 165 L C 2.315 178.727 176.870 -0.764 0.000 1.079 165 L CA 2.561 56.512 54.840 -1.482 0.000 0.758 165 L CB -1.582 39.386 42.059 -1.818 0.000 0.891 165 L HN 0.486 nan 8.230 nan 0.000 0.433 166 A N -1.652 120.860 122.820 -0.512 0.000 2.024 166 A HA -0.253 4.067 4.320 -0.000 0.000 0.220 166 A C 2.104 179.637 177.584 -0.084 0.000 1.164 166 A CA 1.747 53.611 52.037 -0.288 0.000 0.643 166 A CB -1.136 17.757 19.000 -0.177 0.000 0.806 166 A HN 0.776 nan 8.150 nan 0.000 0.451 167 H N -1.389 117.578 119.070 -0.172 0.000 2.521 167 H HA -0.063 4.493 4.556 -0.000 0.000 0.286 167 H C 0.287 175.580 175.328 -0.057 0.000 1.034 167 H CA 0.750 56.750 56.048 -0.079 0.000 1.278 167 H CB 0.267 30.030 29.762 0.001 0.000 1.386 167 H HN 0.387 nan 8.280 nan 0.000 0.567 168 D N 0.287 120.717 120.400 0.049 0.000 2.559 168 D HA 0.228 4.868 4.640 -0.000 0.000 0.234 168 D C -0.350 175.896 176.300 -0.090 0.000 1.226 168 D CA 0.135 54.169 54.000 0.055 0.000 0.830 168 D CB 0.609 41.555 40.800 0.243 0.000 1.028 168 D HN 0.200 nan 8.370 nan 0.000 0.492 169 L N 0.264 121.364 121.223 -0.205 0.000 2.354 169 L HA 0.485 4.825 4.340 -0.000 0.000 0.264 169 L C -2.302 174.363 176.870 -0.342 0.000 1.008 169 L CA -2.286 52.385 54.840 -0.282 0.000 0.819 169 L CB 2.381 44.223 42.059 -0.361 0.000 1.339 169 L HN -0.315 nan 8.230 nan 0.000 0.420 170 P HA -0.032 nan 4.420 nan 0.000 0.269 170 P C -0.768 176.341 177.300 -0.317 0.000 1.211 170 P CA 0.030 62.898 63.100 -0.387 0.000 0.781 170 P CB 0.243 31.882 31.700 -0.102 0.000 0.877 171 F N 0.693 120.591 119.950 -0.086 0.000 2.629 171 F HA 0.015 4.542 4.527 -0.000 0.000 0.377 171 F C 1.710 177.410 175.800 -0.167 0.000 1.101 171 F CA 0.361 58.277 58.000 -0.140 0.000 1.301 171 F CB 0.005 38.880 39.000 -0.207 0.000 1.062 171 F HN 0.043 nan 8.300 nan 0.000 0.583 172 R N 2.954 123.431 120.500 -0.038 0.000 2.428 172 R HA 0.604 4.944 4.340 -0.000 0.000 0.294 172 R C -1.320 174.843 176.300 -0.229 0.000 1.000 172 R CA -0.711 55.368 56.100 -0.036 0.000 0.960 172 R CB 1.056 31.359 30.300 0.005 0.000 1.076 172 R HN 0.426 nan 8.270 nan 0.000 0.475 173 F N 1.409 121.454 119.950 0.158 0.000 2.593 173 F HA 0.353 4.880 4.527 -0.000 0.000 0.320 173 F C -1.204 174.676 175.800 0.133 0.000 1.060 173 F CA -2.228 55.871 58.000 0.166 0.000 0.940 173 F CB 1.572 40.660 39.000 0.147 0.000 1.268 173 F HN 0.413 nan 8.300 nan 0.000 0.475 174 P HA -0.092 nan 4.420 nan 0.000 0.242 174 P C 1.017 178.451 177.300 0.222 0.000 1.197 174 P CA 0.821 64.138 63.100 0.362 0.000 0.765 174 P CB 0.117 31.966 31.700 0.250 0.000 0.936 175 E N 1.718 121.987 120.200 0.116 0.000 2.108 175 E HA -0.221 4.129 4.350 -0.000 0.000 0.203 175 E C 1.259 177.850 176.600 -0.016 0.000 1.022 175 E CA 1.305 57.723 56.400 0.030 0.000 0.823 175 E CB -0.059 29.640 29.700 -0.002 0.000 0.744 175 E HN 0.236 nan 8.360 nan 0.000 0.456 176 R N -0.035 120.399 120.500 -0.110 0.000 2.552 176 R HA 0.217 4.557 4.340 -0.000 0.000 0.314 176 R C 1.716 178.055 176.300 0.065 0.000 1.041 176 R CA 0.091 56.098 56.100 -0.155 0.000 1.076 176 R CB 0.631 30.778 30.300 -0.255 0.000 1.290 176 R HN 0.048 nan 8.270 nan 0.000 0.563 177 S N 1.680 117.581 115.700 0.335 0.000 2.383 177 S HA -0.216 4.254 4.470 -0.000 0.000 0.229 177 S C 2.348 177.083 174.600 0.224 0.000 1.030 177 S CA 1.997 60.525 58.200 0.546 0.000 1.002 177 S CB 0.067 63.516 63.200 0.415 0.000 0.829 177 S HN 0.697 nan 8.310 nan 0.000 0.467 178 E N 1.206 121.449 120.200 0.072 0.000 2.072 178 E HA -0.169 4.181 4.350 -0.000 0.000 0.191 178 E C 1.814 178.377 176.600 -0.062 0.000 0.985 178 E CA 1.442 57.835 56.400 -0.012 0.000 0.801 178 E CB -0.895 28.780 29.700 -0.042 0.000 0.750 178 E HN 0.695 nan 8.360 nan 0.000 0.452 179 Q N -1.696 117.990 119.800 -0.190 0.000 2.079 179 Q HA -0.006 4.334 4.340 -0.000 0.000 0.200 179 Q C -0.158 175.593 176.000 -0.415 0.000 0.974 179 Q CA 1.149 56.665 55.803 -0.477 0.000 0.840 179 Q CB 0.018 28.209 28.738 -0.913 0.000 0.898 179 Q HN 0.596 nan 8.270 nan 0.000 0.430 180 F N 1.066 121.194 119.950 0.296 0.000 2.449 180 F HA 0.426 4.953 4.527 -0.000 0.000 0.344 180 F C -2.251 173.870 175.800 0.535 0.000 1.180 180 F CA -2.686 55.611 58.000 0.495 0.000 1.209 180 F CB 1.166 40.377 39.000 0.352 0.000 1.440 180 F HN -0.058 nan 8.300 nan 0.000 0.526 181 P HA -0.025 nan 4.420 nan 0.000 0.262 181 P C -0.640 176.709 177.300 0.083 0.000 1.182 181 P CA 0.398 63.586 63.100 0.147 0.000 0.761 181 P CB 0.126 31.838 31.700 0.020 0.000 0.795 182 H N 2.273 121.213 119.070 -0.217 0.000 2.439 182 H HA 0.308 4.864 4.556 -0.000 0.000 0.228 182 H C -2.189 172.673 175.328 -0.776 0.000 1.423 182 H CA -2.207 53.399 56.048 -0.736 0.000 1.386 182 H CB 0.089 29.277 29.762 -0.955 0.000 1.641 182 H HN 0.210 nan 8.280 nan 0.000 0.508 183 P HA -0.158 nan 4.420 nan 0.000 0.221 183 P C 0.932 177.991 177.300 -0.402 0.000 1.145 183 P CA 0.804 63.655 63.100 -0.415 0.000 0.795 183 P CB 0.611 32.143 31.700 -0.280 0.000 0.775 184 L N -2.307 118.573 121.223 -0.572 0.000 2.599 184 L HA 0.117 4.456 4.340 -0.000 0.000 0.230 184 L C 0.529 177.335 176.870 -0.108 0.000 1.141 184 L CA -0.063 54.540 54.840 -0.394 0.000 0.877 184 L CB -0.564 41.220 42.059 -0.459 0.000 1.009 184 L HN 0.125 nan 8.230 nan 0.000 0.447 185 W N -2.165 119.087 121.300 -0.080 0.000 3.275 185 W HA 0.518 5.178 4.660 -0.000 0.000 0.306 185 W C -3.094 173.436 176.519 0.017 0.000 1.259 185 W CA -2.250 55.045 57.345 -0.084 0.000 1.194 185 W CB -0.329 29.041 29.460 -0.150 0.000 1.375 185 W HN -0.394 nan 8.180 nan 0.000 0.564 186 P HA 0.106 nan 4.420 nan 0.000 0.272 186 P C -0.011 177.398 177.300 0.180 0.000 1.230 186 P CA 0.106 63.304 63.100 0.163 0.000 0.788 186 P CB 0.989 32.715 31.700 0.042 0.000 0.949 187 S N 0.791 116.610 115.700 0.198 0.000 2.544 187 S HA 0.068 4.538 4.470 -0.000 0.000 0.290 187 S C 0.517 175.135 174.600 0.031 0.000 1.276 187 S CA 0.091 58.310 58.200 0.031 0.000 1.075 187 S CB -0.505 62.843 63.200 0.247 0.000 0.849 187 S HN 0.345 nan 8.310 nan 0.000 0.494 188 S N 5.553 121.199 115.700 -0.091 0.000 2.548 188 S HA 0.289 4.759 4.470 -0.000 0.000 0.277 188 S C -1.688 173.002 174.600 0.150 0.000 1.315 188 S CA -0.940 57.258 58.200 -0.003 0.000 1.050 188 S CB 0.411 63.557 63.200 -0.089 0.000 0.918 188 S HN 0.554 nan 8.310 nan 0.000 0.497 189 P HA 0.227 nan 4.420 nan 0.000 0.276 189 P C -0.602 176.853 177.300 0.257 0.000 1.261 189 P CA -0.473 62.729 63.100 0.170 0.000 0.800 189 P CB 0.872 32.637 31.700 0.108 0.000 1.066 190 S N -0.509 115.311 115.700 0.200 0.000 2.568 190 S HA 0.239 4.709 4.470 -0.000 0.000 0.302 190 S C 1.216 175.873 174.600 0.094 0.000 1.082 190 S CA -0.849 57.447 58.200 0.160 0.000 1.009 190 S CB 0.856 64.096 63.200 0.067 0.000 1.069 190 S HN 0.137 nan 8.310 nan 0.000 0.500 191 V N 4.639 124.565 119.914 0.020 0.000 2.688 191 V HA -0.135 3.985 4.120 -0.000 0.000 0.256 191 V C 1.936 178.036 176.094 0.011 0.000 1.084 191 V CA 1.759 64.091 62.300 0.052 0.000 1.103 191 V CB -0.778 31.081 31.823 0.059 0.000 0.688 191 V HN 0.774 nan 8.190 nan 0.000 0.480 192 L N -0.977 120.215 121.223 -0.051 0.000 2.418 192 L HA 0.055 4.395 4.340 -0.000 0.000 0.218 192 L C 0.667 177.533 176.870 -0.006 0.000 1.125 192 L CA 0.172 54.975 54.840 -0.062 0.000 0.835 192 L CB -0.353 41.631 42.059 -0.125 0.000 0.953 192 L HN 0.314 nan 8.230 nan 0.000 0.454 193 D N 0.808 121.221 120.400 0.021 0.000 2.423 193 D HA 0.024 4.663 4.640 -0.000 0.000 0.238 193 D C -0.191 176.129 176.300 0.034 0.000 1.142 193 D CA 0.181 54.202 54.000 0.035 0.000 0.884 193 D CB 0.572 41.406 40.800 0.056 0.000 1.199 193 D HN -0.069 nan 8.370 nan 0.000 0.438 194 D N 0.599 121.017 120.400 0.029 0.000 2.414 194 D HA 0.057 4.697 4.640 -0.000 0.000 0.242 194 D C 0.710 177.026 176.300 0.027 0.000 1.129 194 D CA 0.268 54.284 54.000 0.027 0.000 0.885 194 D CB 0.148 40.962 40.800 0.022 0.000 1.198 194 D HN 0.401 nan 8.370 nan 0.000 0.437 195 N N -0.722 117.995 118.700 0.029 0.000 2.828 195 N HA -0.224 4.516 4.740 -0.000 0.000 0.248 195 N C -0.521 175.004 175.510 0.025 0.000 1.044 195 N CA 0.464 53.531 53.050 0.027 0.000 0.851 195 N CB -0.586 37.912 38.487 0.018 0.000 1.136 195 N HN 0.479 nan 8.380 nan 0.000 0.572 196 A N 0.687 123.528 122.820 0.035 0.000 2.450 196 A HA 0.510 4.830 4.320 -0.000 0.000 0.255 196 A C 0.421 178.036 177.584 0.051 0.000 1.096 196 A CA 0.056 52.117 52.037 0.040 0.000 0.778 196 A CB 0.666 19.707 19.000 0.067 0.000 1.031 196 A HN 0.075 nan 8.150 nan 0.000 0.494 197 V N 3.650 123.592 119.914 0.047 0.000 2.513 197 V HA 0.416 4.536 4.120 -0.000 0.000 0.299 197 V C -0.160 175.999 176.094 0.108 0.000 1.035 197 V CA -0.484 61.855 62.300 0.065 0.000 0.889 197 V CB 1.673 33.576 31.823 0.134 0.000 0.988 197 V HN 0.640 nan 8.190 nan 0.000 0.440 198 V N 4.677 124.578 119.914 -0.021 0.000 2.459 198 V HA 0.560 4.680 4.120 -0.000 0.000 0.295 198 V C -0.698 175.214 176.094 -0.304 0.000 1.029 198 V CA -0.575 61.732 62.300 0.013 0.000 0.874 198 V CB 1.539 33.460 31.823 0.163 0.000 0.985 198 V HN 0.828 nan 8.190 nan 0.000 0.438 199 H N 2.671 121.666 119.070 -0.125 0.000 2.667 199 H HA 0.832 5.388 4.556 -0.000 0.000 0.353 199 H C 0.291 175.369 175.328 -0.417 0.000 1.072 199 H CA 0.227 55.897 56.048 -0.630 0.000 1.214 199 H CB 2.106 31.009 29.762 -1.432 0.000 1.600 199 H HN 0.952 nan 8.280 nan 0.000 0.527 200 G N 1.409 110.085 108.800 -0.206 0.000 2.360 200 G HA2 0.415 4.374 3.960 -0.000 0.000 0.276 200 G HA3 0.415 4.374 3.960 -0.000 0.000 0.276 200 G C -1.375 173.570 174.900 0.075 0.000 1.256 200 G CA -0.301 44.866 45.100 0.112 0.000 0.890 200 G HN 0.592 nan 8.290 nan 0.000 0.486 201 M N -1.099 118.632 119.600 0.220 0.000 2.949 201 M HA 0.758 5.238 4.480 -0.000 0.000 0.270 201 M C -1.436 174.828 176.300 -0.061 0.000 1.221 201 M CA -1.044 54.334 55.300 0.131 0.000 0.818 201 M CB 2.263 34.845 32.600 -0.030 0.000 1.635 201 M HN 1.180 nan 8.290 nan 0.000 0.492 202 H N -1.006 117.839 119.070 -0.375 0.000 2.894 202 H HA 0.888 5.444 4.556 -0.000 0.000 0.367 202 H C -1.682 173.355 175.328 -0.485 0.000 1.144 202 H CA -0.850 54.710 56.048 -0.814 0.000 1.180 202 H CB 1.526 30.035 29.762 -2.089 0.000 1.758 202 H HN 0.944 nan 8.280 nan 0.000 0.541 203 R N 1.676 122.023 120.500 -0.256 0.000 2.707 203 R HA 0.439 4.779 4.340 -0.000 0.000 0.272 203 R C -1.475 174.709 176.300 -0.193 0.000 1.011 203 R CA -0.825 55.178 56.100 -0.163 0.000 0.893 203 R CB 1.225 31.483 30.300 -0.070 0.000 1.233 203 R HN 0.657 nan 8.270 nan 0.000 0.464 204 T N 1.324 115.732 114.554 -0.243 0.000 2.888 204 T HA 0.301 4.650 4.350 -0.000 0.000 0.301 204 T C 0.389 174.609 174.700 -0.800 0.000 1.001 204 T CA 0.488 62.309 62.100 -0.466 0.000 1.147 204 T CB 0.775 69.405 68.868 -0.396 0.000 0.931 204 T HN 0.619 nan 8.240 nan 0.000 0.541 205 G N 1.753 109.949 108.800 -1.007 0.000 2.371 205 G HA2 0.601 4.560 3.960 -0.000 0.000 0.326 205 G HA3 0.601 4.560 3.960 -0.000 0.000 0.326 205 G C -0.916 173.321 174.900 -1.106 0.000 1.127 205 G CA -0.799 43.648 45.100 -1.089 0.000 0.885 205 G HN 0.624 nan 8.290 nan 0.000 0.477 206 F N 1.559 121.414 119.950 -0.158 0.000 2.334 206 F HA 0.645 5.172 4.527 -0.000 0.000 0.367 206 F C 0.911 176.718 175.800 0.012 0.000 1.115 206 F CA 0.137 58.092 58.000 -0.074 0.000 1.116 206 F CB 1.517 40.475 39.000 -0.070 0.000 1.230 206 F HN 0.881 nan 8.300 nan 0.000 0.484 207 G N 2.316 111.197 108.800 0.135 0.000 2.339 207 G HA2 -0.015 3.945 3.960 -0.000 0.000 0.381 207 G HA3 -0.015 3.945 3.960 -0.000 0.000 0.381 207 G C -1.673 173.339 174.900 0.187 0.000 1.400 207 G CA -1.463 43.717 45.100 0.133 0.000 1.002 207 G HN 0.616 nan 8.290 nan 0.000 0.633 208 N N 0.567 119.331 118.700 0.108 0.000 2.407 208 N HA 0.148 4.888 4.740 -0.000 0.000 0.250 208 N C 1.810 177.277 175.510 -0.072 0.000 1.236 208 N CA 0.572 53.659 53.050 0.062 0.000 0.879 208 N CB 0.302 38.817 38.487 0.046 0.000 1.088 208 N HN 0.738 nan 8.380 nan 0.000 0.450 209 W N 4.398 125.618 121.300 -0.134 0.000 2.363 209 W HA -0.146 4.514 4.660 -0.000 0.000 0.296 209 W C 0.969 177.363 176.519 -0.208 0.000 1.212 209 W CA 0.543 57.740 57.345 -0.246 0.000 1.260 209 W CB -0.581 28.844 29.460 -0.060 0.000 1.131 209 W HN 0.550 nan 8.180 nan 0.000 0.530 210 R N 0.395 120.130 120.500 -1.275 0.000 2.070 210 R HA -0.169 4.171 4.340 -0.000 0.000 0.233 210 R C 2.372 178.394 176.300 -0.463 0.000 1.137 210 R CA 2.074 57.516 56.100 -1.096 0.000 0.945 210 R CB -0.589 29.063 30.300 -1.081 0.000 0.845 210 R HN 0.081 nan 8.270 nan 0.000 0.430 211 I N 0.900 121.231 120.570 -0.399 0.000 2.264 211 I HA -0.225 3.944 4.170 -0.000 0.000 0.248 211 I C 2.425 178.284 176.117 -0.430 0.000 1.111 211 I CA 1.393 62.444 61.300 -0.414 0.000 1.382 211 I CB -1.334 36.434 38.000 -0.386 0.000 1.060 211 I HN 0.199 nan 8.210 nan 0.000 0.418 212 A N -0.288 122.250 122.820 -0.470 0.000 1.929 212 A HA -0.233 4.087 4.320 -0.000 0.000 0.216 212 A C 2.639 179.711 177.584 -0.853 0.000 1.176 212 A CA 1.519 53.236 52.037 -0.533 0.000 0.628 212 A CB -1.223 17.397 19.000 -0.634 0.000 0.816 212 A HN 0.542 nan 8.150 nan 0.000 0.444 213 C N 0.295 119.034 119.300 -0.935 0.000 2.429 213 C HA -0.093 4.367 4.460 -0.000 0.000 0.277 213 C C 2.452 176.954 174.990 -0.814 0.000 1.262 213 C CA 1.527 59.810 59.018 -1.225 0.000 1.733 213 C CB -1.342 26.161 27.740 -0.395 0.000 2.010 213 C HN 0.687 nan 8.230 nan 0.000 0.483 214 E N 0.504 120.336 120.200 -0.614 0.000 2.333 214 E HA -0.188 4.162 4.350 -0.000 0.000 0.198 214 E C 1.987 177.977 176.600 -1.017 0.000 1.007 214 E CA 0.891 56.807 56.400 -0.807 0.000 0.845 214 E CB -0.419 29.031 29.700 -0.416 0.000 0.766 214 E HN 0.736 nan 8.360 nan 0.000 0.507 215 N N 1.346 119.578 118.700 -0.779 0.000 2.084 215 N HA -0.140 4.600 4.740 -0.000 0.000 0.190 215 N C 2.057 177.010 175.510 -0.928 0.000 1.030 215 N CA 1.576 54.167 53.050 -0.766 0.000 0.849 215 N CB -0.292 37.852 38.487 -0.572 0.000 1.012 215 N HN 0.165 nan 8.380 nan 0.000 0.423 216 G N 0.447 108.868 108.800 -0.632 0.000 2.469 216 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.220 216 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.220 216 G C 1.063 175.841 174.900 -0.203 0.000 1.136 216 G CA 1.093 46.003 45.100 -0.318 0.000 0.759 216 G HN 0.561 nan 8.290 nan 0.000 0.562 217 F N -0.367 119.435 119.950 -0.245 0.000 2.684 217 F HA 0.456 4.983 4.527 -0.000 0.000 0.298 217 F C -0.167 175.553 175.800 -0.132 0.000 1.120 217 F CA -1.672 56.222 58.000 -0.176 0.000 1.332 217 F CB 0.053 38.932 39.000 -0.201 0.000 0.986 217 F HN -0.145 nan 8.300 nan 0.000 0.524 218 D N 1.862 122.076 120.400 -0.311 0.000 2.313 218 D HA 0.075 4.715 4.640 -0.000 0.000 0.239 218 D C 0.319 176.691 176.300 0.119 0.000 1.142 218 D CA -0.021 53.900 54.000 -0.133 0.000 0.847 218 D CB 0.679 41.337 40.800 -0.236 0.000 1.082 218 D HN 0.214 nan 8.370 nan 0.000 0.480 219 N N 2.488 121.197 118.700 0.015 0.000 2.461 219 N HA -0.026 4.714 4.740 -0.000 0.000 0.188 219 N C 0.859 176.399 175.510 0.051 0.000 1.134 219 N CA 0.092 53.133 53.050 -0.017 0.000 0.878 219 N CB 0.673 39.020 38.487 -0.232 0.000 0.972 219 N HN 0.440 nan 8.380 nan 0.000 0.456 220 A N 0.395 123.265 122.820 0.083 0.000 2.140 220 A HA -0.043 4.276 4.320 -0.000 0.000 0.209 220 A C 1.734 179.334 177.584 0.027 0.000 1.181 220 A CA 0.066 52.141 52.037 0.063 0.000 0.824 220 A CB -0.510 18.536 19.000 0.077 0.000 0.879 220 A HN 0.407 nan 8.150 nan 0.000 0.480 221 H N 1.127 120.168 119.070 -0.048 0.000 2.547 221 H HA 0.000 4.556 4.556 -0.000 0.000 0.272 221 H C 1.509 176.797 175.328 -0.065 0.000 0.989 221 H CA 1.078 57.078 56.048 -0.081 0.000 1.214 221 H CB -0.564 29.121 29.762 -0.129 0.000 1.389 221 H HN 0.591 nan 8.280 nan 0.000 0.577 222 I N -1.005 119.200 120.570 -0.608 0.000 3.010 222 I HA -0.147 4.023 4.170 -0.000 0.000 0.271 222 I C 2.096 178.109 176.117 -0.173 0.000 1.293 222 I CA 0.517 61.572 61.300 -0.408 0.000 1.452 222 I CB -0.555 37.363 38.000 -0.138 0.000 1.082 222 I HN 0.089 nan 8.210 nan 0.000 0.484 223 L N 1.233 122.366 121.223 -0.149 0.000 2.275 223 L HA -0.059 4.281 4.340 -0.000 0.000 0.215 223 L C 2.186 178.980 176.870 -0.126 0.000 1.119 223 L CA 1.434 56.227 54.840 -0.078 0.000 0.790 223 L CB -0.318 41.712 42.059 -0.049 0.000 0.919 223 L HN 0.121 nan 8.230 nan 0.000 0.443 224 V N -0.804 118.953 119.914 -0.261 0.000 2.913 224 V HA -0.204 3.916 4.120 -0.000 0.000 0.260 224 V C 1.895 177.711 176.094 -0.463 0.000 1.098 224 V CA 1.383 63.468 62.300 -0.359 0.000 1.121 224 V CB -1.161 30.389 31.823 -0.455 0.000 0.714 224 V HN 0.564 nan 8.190 nan 0.000 0.487 225 H N 0.463 119.438 119.070 -0.159 0.000 2.586 225 H HA 0.095 4.651 4.556 -0.000 0.000 0.273 225 H C 2.041 177.390 175.328 0.035 0.000 0.997 225 H CA 0.508 56.467 56.048 -0.150 0.000 1.177 225 H CB 0.181 29.766 29.762 -0.295 0.000 1.471 225 H HN 0.596 nan 8.280 nan 0.000 0.538 226 K N 0.681 121.150 120.400 0.115 0.000 2.173 226 K HA -0.163 4.157 4.320 -0.000 0.000 0.207 226 K C 0.406 177.166 176.600 0.267 0.000 1.046 226 K CA 2.008 58.389 56.287 0.156 0.000 0.929 226 K CB 0.083 32.642 32.500 0.098 0.000 0.720 226 K HN 0.019 nan 8.250 nan 0.000 0.453 227 D N -0.126 120.402 120.400 0.214 0.000 2.395 227 D HA 0.069 4.709 4.640 -0.000 0.000 0.213 227 D C -0.525 175.911 176.300 0.227 0.000 1.110 227 D CA -0.199 53.935 54.000 0.224 0.000 0.835 227 D CB -0.046 40.792 40.800 0.063 0.000 0.965 227 D HN 0.148 nan 8.370 nan 0.000 0.505 228 N N 0.734 119.592 118.700 0.264 0.000 2.454 228 N HA -0.005 4.735 4.740 -0.000 0.000 0.254 228 N C 1.374 177.050 175.510 0.278 0.000 1.228 228 N CA 0.347 53.550 53.050 0.254 0.000 0.900 228 N CB 0.981 39.670 38.487 0.336 0.000 1.089 228 N HN -0.073 nan 8.380 nan 0.000 0.449 229 T N 1.599 116.259 114.554 0.177 0.000 2.665 229 T HA -0.183 4.167 4.350 -0.000 0.000 0.268 229 T C 1.886 176.616 174.700 0.050 0.000 1.035 229 T CA 0.819 62.988 62.100 0.115 0.000 1.151 229 T CB -0.178 68.722 68.868 0.053 0.000 0.862 229 T HN 0.570 nan 8.240 nan 0.000 0.438 230 I N 1.035 121.600 120.570 -0.008 0.000 2.264 230 I HA -0.189 3.981 4.170 -0.000 0.000 0.248 230 I C 2.224 178.032 176.117 -0.516 0.000 1.111 230 I CA 1.098 62.238 61.300 -0.267 0.000 1.382 230 I CB -0.113 37.718 38.000 -0.282 0.000 1.060 230 I HN 0.061 nan 8.210 nan 0.000 0.418 231 V N 0.679 120.464 119.914 -0.216 0.000 2.332 231 V HA -0.330 3.790 4.120 -0.000 0.000 0.248 231 V C 2.127 178.001 176.094 -0.367 0.000 1.055 231 V CA 2.384 64.550 62.300 -0.224 0.000 1.038 231 V CB -1.086 30.742 31.823 0.009 0.000 0.651 231 V HN 0.536 nan 8.190 nan 0.000 0.450 232 H N -0.465 118.549 119.070 -0.092 0.000 2.525 232 H HA 0.291 4.847 4.556 -0.000 0.000 0.275 232 H C 2.103 177.359 175.328 -0.119 0.000 0.984 232 H CA 0.963 56.969 56.048 -0.069 0.000 1.264 232 H CB -0.191 29.556 29.762 -0.026 0.000 1.432 232 H HN 0.428 nan 8.280 nan 0.000 0.549 233 A N 0.792 123.557 122.820 -0.092 0.000 1.898 233 A HA -0.054 4.265 4.320 -0.000 0.000 0.214 233 A C 1.864 179.324 177.584 -0.207 0.000 1.183 233 A CA 1.084 53.045 52.037 -0.127 0.000 0.622 233 A CB -0.071 18.843 19.000 -0.142 0.000 0.824 233 A HN 0.194 nan 8.150 nan 0.000 0.444 234 M N -1.178 118.173 119.600 -0.415 0.000 2.541 234 M HA 0.058 4.538 4.480 -0.000 0.000 0.252 234 M C 0.476 176.621 176.300 -0.259 0.000 1.125 234 M CA 0.964 55.976 55.300 -0.479 0.000 1.091 234 M CB -1.056 30.825 32.600 -1.199 0.000 1.420 234 M HN 0.517 nan 8.290 nan 0.000 0.486 235 D N 0.201 120.484 120.400 -0.194 0.000 2.723 235 D HA -0.175 4.465 4.640 -0.000 0.000 0.236 235 D C -0.701 175.653 176.300 0.090 0.000 1.138 235 D CA 0.337 54.313 54.000 -0.040 0.000 0.676 235 D CB -0.487 40.316 40.800 0.004 0.000 1.069 235 D HN 0.227 nan 8.370 nan 0.000 0.430 236 W N -0.624 120.639 121.300 -0.062 0.000 2.034 236 W HA 0.362 5.022 4.660 -0.000 0.000 0.357 236 W C 0.934 177.440 176.519 -0.022 0.000 1.326 236 W CA -0.570 56.745 57.345 -0.050 0.000 1.318 236 W CB 0.086 29.513 29.460 -0.054 0.000 1.193 236 W HN -0.114 nan 8.180 nan 0.000 0.620 237 V N 3.840 123.899 119.914 0.242 0.000 2.204 237 V HA 0.134 4.254 4.120 -0.000 0.000 0.264 237 V C -0.467 175.728 176.094 0.168 0.000 1.106 237 V CA -0.699 61.694 62.300 0.154 0.000 0.947 237 V CB 0.082 31.969 31.823 0.106 0.000 1.164 237 V HN 0.235 nan 8.190 nan 0.000 0.461 238 L N 7.887 129.230 121.223 0.200 0.000 2.264 238 L HA 0.608 4.948 4.340 -0.000 0.000 0.287 238 L C -1.772 175.192 176.870 0.156 0.000 1.039 238 L CA -1.685 53.285 54.840 0.216 0.000 0.829 238 L CB 1.259 43.493 42.059 0.292 0.000 1.211 238 L HN 0.309 nan 8.230 nan 0.000 0.427 239 P HA 0.038 nan 4.420 nan 0.000 0.271 239 P C 0.985 178.334 177.300 0.081 0.000 1.233 239 P CA -0.248 62.907 63.100 0.091 0.000 0.789 239 P CB 1.009 32.750 31.700 0.068 0.000 0.951 240 L N -0.459 120.802 121.223 0.064 0.000 2.083 240 L HA 0.041 4.381 4.340 -0.000 0.000 0.209 240 L C 1.500 178.394 176.870 0.039 0.000 1.083 240 L CA 1.765 56.635 54.840 0.049 0.000 0.752 240 L CB -0.915 41.170 42.059 0.044 0.000 0.899 240 L HN 0.636 nan 8.230 nan 0.000 0.433 241 G N -1.120 107.710 108.800 0.049 0.000 2.466 241 G HA2 0.499 4.459 3.960 -0.000 0.000 0.291 241 G HA3 0.499 4.459 3.960 -0.000 0.000 0.291 241 G C -1.741 173.205 174.900 0.078 0.000 1.460 241 G CA -0.786 44.347 45.100 0.054 0.000 0.791 241 G HN -0.106 nan 8.290 nan 0.000 0.505 242 L N -0.178 121.112 121.223 0.113 0.000 2.342 242 L HA 0.722 5.062 4.340 -0.000 0.000 0.271 242 L C -0.526 176.552 176.870 0.347 0.000 1.008 242 L CA -0.941 54.016 54.840 0.196 0.000 0.818 242 L CB 2.103 44.252 42.059 0.151 0.000 1.296 242 L HN 0.305 nan 8.230 nan 0.000 0.427 243 L N 3.498 124.920 121.223 0.332 0.000 2.365 243 L HA 0.533 4.873 4.340 -0.000 0.000 0.273 243 L C -2.342 174.526 176.870 -0.004 0.000 1.000 243 L CA -1.776 53.189 54.840 0.208 0.000 0.819 243 L CB 2.711 44.823 42.059 0.088 0.000 1.284 243 L HN 0.314 nan 8.230 nan 0.000 0.418 244 P HA 0.093 nan 4.420 nan 0.000 0.276 244 P C 0.107 177.178 177.300 -0.381 0.000 1.230 244 P CA -0.236 62.358 63.100 -0.842 0.000 0.776 244 P CB 1.354 32.545 31.700 -0.847 0.000 0.888 245 T N -1.427 112.919 114.554 -0.347 0.000 3.001 245 T HA 0.180 4.530 4.350 -0.000 0.000 0.251 245 T C 0.678 175.291 174.700 -0.145 0.000 1.040 245 T CA 0.070 62.065 62.100 -0.176 0.000 0.985 245 T CB -0.195 68.605 68.868 -0.115 0.000 1.011 245 T HN 0.557 nan 8.240 nan 0.000 0.509 246 S N -0.271 115.321 115.700 -0.181 0.000 2.607 246 S HA 0.505 4.975 4.470 -0.000 0.000 0.273 246 S C -0.537 174.006 174.600 -0.096 0.000 1.148 246 S CA -0.706 57.429 58.200 -0.108 0.000 0.833 246 S CB 1.674 64.827 63.200 -0.078 0.000 1.130 246 S HN -0.117 nan 8.310 nan 0.000 0.470 247 D N 1.044 121.420 120.400 -0.040 0.000 2.264 247 D HA -0.001 4.639 4.640 -0.000 0.000 0.208 247 D C 0.665 176.988 176.300 0.038 0.000 0.966 247 D CA 1.355 55.353 54.000 -0.003 0.000 0.864 247 D CB -0.167 40.641 40.800 0.014 0.000 0.933 247 D HN 0.775 nan 8.370 nan 0.000 0.499 248 D N -0.173 120.256 120.400 0.048 0.000 2.427 248 D HA -0.039 4.601 4.640 -0.000 0.000 0.224 248 D C 1.611 178.056 176.300 0.241 0.000 1.157 248 D CA -0.204 53.876 54.000 0.134 0.000 0.828 248 D CB -1.292 39.571 40.800 0.105 0.000 0.974 248 D HN 0.239 nan 8.370 nan 0.000 0.498 249 C N -0.576 118.805 119.300 0.135 0.000 2.430 249 C HA 0.270 4.730 4.460 -0.000 0.000 0.288 249 C C 0.818 176.130 174.990 0.537 0.000 1.448 249 C CA -0.552 58.571 59.018 0.174 0.000 1.784 249 C CB -1.399 26.052 27.740 -0.482 0.000 1.776 249 C HN 0.316 nan 8.230 nan 0.000 0.547 250 I N 0.949 121.755 120.570 0.393 0.000 2.533 250 I HA 0.559 4.728 4.170 -0.000 0.000 0.290 250 I C -0.063 176.189 176.117 0.225 0.000 1.056 250 I CA -0.485 60.978 61.300 0.273 0.000 1.057 250 I CB 1.774 39.930 38.000 0.260 0.000 1.240 250 I HN 0.129 nan 8.210 nan 0.000 0.423 251 A N 6.416 129.282 122.820 0.077 0.000 2.260 251 A HA 0.688 5.008 4.320 -0.000 0.000 0.314 251 A C -0.555 177.087 177.584 0.097 0.000 1.257 251 A CA -0.459 51.685 52.037 0.179 0.000 0.871 251 A CB 0.805 19.968 19.000 0.272 0.000 1.166 251 A HN 0.442 nan 8.150 nan 0.000 0.522 252 V N 3.794 123.788 119.914 0.132 0.000 2.432 252 V HA 0.332 4.452 4.120 -0.000 0.000 0.275 252 V C -0.068 176.086 176.094 0.099 0.000 1.043 252 V CA -0.302 62.068 62.300 0.118 0.000 0.925 252 V CB 1.257 33.160 31.823 0.135 0.000 0.985 252 V HN 0.599 nan 8.190 nan 0.000 0.466 253 V N 5.514 125.484 119.914 0.093 0.000 2.417 253 V HA 0.493 4.613 4.120 -0.000 0.000 0.291 253 V C 0.316 176.377 176.094 -0.054 0.000 1.024 253 V CA -0.432 61.901 62.300 0.055 0.000 0.861 253 V CB 1.547 33.430 31.823 0.101 0.000 0.985 253 V HN 1.058 nan 8.190 nan 0.000 0.436 254 E N 1.266 121.356 120.200 -0.182 0.000 3.918 254 E HA 0.271 4.621 4.350 -0.000 0.000 0.183 254 E C -1.201 175.081 176.600 -0.530 0.000 1.021 254 E CA -0.619 55.450 56.400 -0.552 0.000 1.431 254 E CB 0.426 29.756 29.700 -0.616 0.000 1.140 254 E HN 0.639 nan 8.360 nan 0.000 0.435 255 D N 2.926 123.147 120.400 -0.299 0.000 2.308 255 D HA -0.025 4.615 4.640 -0.000 0.000 0.251 255 D C 1.194 177.337 176.300 -0.261 0.000 1.127 255 D CA -0.203 53.669 54.000 -0.214 0.000 0.876 255 D CB 1.170 41.897 40.800 -0.122 0.000 1.176 255 D HN 0.179 nan 8.370 nan 0.000 0.446 256 D N 1.803 122.096 120.400 -0.178 0.000 2.204 256 D HA -0.298 4.342 4.640 -0.000 0.000 0.189 256 D C 0.368 176.551 176.300 -0.196 0.000 1.006 256 D CA 1.203 55.127 54.000 -0.126 0.000 0.855 256 D CB -0.148 40.646 40.800 -0.011 0.000 0.946 256 D HN 0.373 nan 8.370 nan 0.000 0.448 257 D N 0.908 121.216 120.400 -0.154 0.000 2.393 257 D HA 0.431 5.071 4.640 -0.000 0.000 0.232 257 D C 0.430 176.561 176.300 -0.283 0.000 1.192 257 D CA 0.534 54.430 54.000 -0.173 0.000 0.882 257 D CB 0.554 41.355 40.800 0.001 0.000 1.038 257 D HN 0.473 nan 8.370 nan 0.000 0.499 258 G N 3.600 111.993 108.800 -0.679 0.000 2.361 258 G HA2 -0.025 3.935 3.960 -0.000 0.000 0.331 258 G HA3 -0.025 3.935 3.960 -0.000 0.000 0.331 258 G C -3.150 171.531 174.900 -0.364 0.000 1.324 258 G CA -1.087 43.801 45.100 -0.354 0.000 0.984 258 G HN 0.279 nan 8.290 nan 0.000 0.586 259 P HA 0.343 nan 4.420 nan 0.000 0.272 259 P C -0.752 176.466 177.300 -0.136 0.000 1.223 259 P CA -0.118 62.863 63.100 -0.198 0.000 0.784 259 P CB 0.550 31.988 31.700 -0.437 0.000 0.923 260 K N 2.195 122.508 120.400 -0.145 0.000 2.316 260 K HA 0.704 5.024 4.320 -0.000 0.000 0.267 260 K C 0.339 176.933 176.600 -0.009 0.000 1.025 260 K CA -0.256 55.940 56.287 -0.151 0.000 0.896 260 K CB 1.381 33.760 32.500 -0.202 0.000 1.124 260 K HN 0.773 nan 8.250 nan 0.000 0.451 261 G N 1.558 110.422 108.800 0.108 0.000 2.500 261 G HA2 0.518 4.478 3.960 -0.000 0.000 0.299 261 G HA3 0.518 4.478 3.960 -0.000 0.000 0.299 261 G C -1.402 173.646 174.900 0.247 0.000 1.242 261 G CA -0.760 44.445 45.100 0.174 0.000 0.859 261 G HN 0.445 nan 8.290 nan 0.000 0.481 262 M N -1.598 118.110 119.600 0.181 0.000 2.531 262 M HA 0.899 5.379 4.480 -0.000 0.000 0.286 262 M C -1.391 174.879 176.300 -0.049 0.000 1.232 262 M CA -1.078 54.263 55.300 0.067 0.000 0.877 262 M CB 2.551 35.173 32.600 0.035 0.000 1.726 262 M HN 0.624 nan 8.290 nan 0.000 0.463 263 M N 2.515 121.961 119.600 -0.257 0.000 2.253 263 M HA 0.441 4.921 4.480 -0.000 0.000 0.314 263 M C -1.674 174.339 176.300 -0.479 0.000 1.019 263 M CA -0.004 54.996 55.300 -0.500 0.000 0.932 263 M CB 2.364 34.322 32.600 -1.069 0.000 1.606 263 M HN 0.765 nan 8.290 nan 0.000 0.430 264 Q N 3.969 123.579 119.800 -0.317 0.000 2.303 264 Q HA 0.224 4.563 4.340 -0.000 0.000 0.257 264 Q C -1.122 174.825 176.000 -0.088 0.000 0.941 264 Q CA -0.029 55.694 55.803 -0.133 0.000 0.931 264 Q CB 0.806 29.448 28.738 -0.161 0.000 1.215 264 Q HN 0.816 nan 8.270 nan 0.000 0.437 265 W N 4.295 125.816 121.300 0.369 0.000 1.224 265 W HA 0.121 4.781 4.660 -0.000 0.000 0.503 265 W C -0.185 176.574 176.519 0.400 0.000 0.592 265 W CA -0.450 57.112 57.345 0.362 0.000 2.414 265 W CB -0.292 29.367 29.460 0.332 0.000 1.352 265 W HN 0.362 nan 8.180 nan 0.000 0.226 266 L N 1.588 123.016 121.223 0.342 0.000 2.439 266 L HA 0.125 4.464 4.340 -0.000 0.000 0.269 266 L C 0.546 177.688 176.870 0.454 0.000 1.179 266 L CA -0.526 54.420 54.840 0.177 0.000 0.828 266 L CB -0.036 41.999 42.059 -0.041 0.000 1.106 266 L HN 0.249 nan 8.230 nan 0.000 0.467 267 F N -0.099 119.967 119.950 0.194 0.000 3.030 267 F HA -0.230 4.297 4.527 -0.000 0.000 0.309 267 F C 0.514 176.425 175.800 0.185 0.000 0.941 267 F CA 0.862 58.980 58.000 0.198 0.000 1.082 267 F CB -1.942 37.214 39.000 0.259 0.000 1.113 267 F HN 0.753 nan 8.300 nan 0.000 0.716 268 T N -5.390 109.325 114.554 0.268 0.000 2.754 268 T HA 0.486 4.836 4.350 -0.000 0.000 0.296 268 T C 0.580 175.363 174.700 0.139 0.000 1.205 268 T CA -0.338 61.875 62.100 0.188 0.000 1.009 268 T CB 1.716 70.705 68.868 0.202 0.000 1.368 268 T HN -0.190 nan 8.240 nan 0.000 0.509 269 D N 0.153 120.596 120.400 0.070 0.000 2.219 269 D HA -0.004 4.636 4.640 -0.000 0.000 0.205 269 D C 1.623 177.937 176.300 0.023 0.000 0.970 269 D CA 0.932 54.954 54.000 0.036 0.000 0.851 269 D CB -0.163 40.635 40.800 -0.003 0.000 0.943 269 D HN 0.602 nan 8.370 nan 0.000 0.488 270 K N -0.831 119.593 120.400 0.040 0.000 2.360 270 K HA -0.095 4.225 4.320 -0.000 0.000 0.201 270 K C -0.066 176.385 176.600 -0.250 0.000 1.046 270 K CA 0.606 56.855 56.287 -0.063 0.000 0.940 270 K CB 0.016 32.546 32.500 0.051 0.000 0.748 270 K HN 0.234 nan 8.250 nan 0.000 0.465 271 W N 0.519 121.853 121.300 0.056 0.000 2.591 271 W HA 0.383 5.042 4.660 -0.000 0.000 0.311 271 W C -1.061 175.435 176.519 -0.038 0.000 1.003 271 W CA -0.793 56.562 57.345 0.016 0.000 1.332 271 W CB 1.234 30.698 29.460 0.006 0.000 1.272 271 W HN -0.155 nan 8.180 nan 0.000 0.412 272 A N 6.000 128.910 122.820 0.151 0.000 2.320 272 A HA 0.670 4.990 4.320 -0.000 0.000 0.287 272 A C -2.183 175.451 177.584 0.083 0.000 1.181 272 A CA -1.417 50.670 52.037 0.083 0.000 0.831 272 A CB 0.145 19.171 19.000 0.044 0.000 1.102 272 A HN 0.293 nan 8.150 nan 0.000 0.513 273 P HA 0.284 nan 4.420 nan 0.000 0.278 273 P C -0.779 176.546 177.300 0.041 0.000 1.238 273 P CA -0.156 62.956 63.100 0.019 0.000 0.794 273 P CB 1.388 33.071 31.700 -0.029 0.000 0.955 274 V N 4.641 124.584 119.914 0.049 0.000 2.304 274 V HA 0.092 4.212 4.120 -0.000 0.000 0.278 274 V C 1.012 177.136 176.094 0.051 0.000 1.018 274 V CA -0.147 62.183 62.300 0.050 0.000 0.814 274 V CB 0.874 32.729 31.823 0.053 0.000 1.021 274 V HN 0.382 nan 8.190 nan 0.000 0.440 275 L N 3.701 124.954 121.223 0.050 0.000 2.607 275 L HA 0.453 4.793 4.340 -0.000 0.000 0.228 275 L C 0.691 177.591 176.870 0.051 0.000 1.123 275 L CA 0.784 55.657 54.840 0.055 0.000 0.890 275 L CB -0.170 41.924 42.059 0.058 0.000 1.103 275 L HN 0.727 nan 8.230 nan 0.000 0.468 276 E N -0.224 120.003 120.200 0.045 0.000 2.401 276 E HA 0.273 4.623 4.350 -0.000 0.000 0.280 276 E C -1.304 175.317 176.600 0.035 0.000 1.039 276 E CA -0.546 55.879 56.400 0.040 0.000 0.814 276 E CB 1.393 31.116 29.700 0.038 0.000 1.275 276 E HN 0.043 nan 8.360 nan 0.000 0.448 277 N N 2.273 120.992 118.700 0.031 0.000 2.732 277 N HA 0.084 4.824 4.740 -0.000 0.000 0.247 277 N C 0.092 175.616 175.510 0.024 0.000 1.305 277 N CA 0.079 53.145 53.050 0.026 0.000 0.762 277 N CB 0.736 39.238 38.487 0.025 0.000 1.361 277 N HN 0.436 nan 8.380 nan 0.000 0.545 278 Q N 0.570 120.383 119.800 0.022 0.000 2.152 278 Q HA -0.260 4.080 4.340 -0.000 0.000 0.206 278 Q C 1.373 177.383 176.000 0.017 0.000 0.985 278 Q CA 1.566 57.380 55.803 0.020 0.000 0.863 278 Q CB 0.037 28.786 28.738 0.019 0.000 0.904 278 Q HN 0.665 nan 8.270 nan 0.000 0.422 279 E N 0.592 120.802 120.200 0.015 0.000 2.209 279 E HA -0.172 4.178 4.350 -0.000 0.000 0.196 279 E C 1.134 177.741 176.600 0.011 0.000 0.993 279 E CA 0.768 57.175 56.400 0.012 0.000 0.819 279 E CB 0.134 29.841 29.700 0.012 0.000 0.745 279 E HN 0.358 nan 8.360 nan 0.000 0.477 280 L N -0.977 120.254 121.223 0.013 0.000 2.808 280 L HA 0.316 4.656 4.340 -0.000 0.000 0.246 280 L C 1.049 177.927 176.870 0.014 0.000 1.153 280 L CA 0.166 55.013 54.840 0.012 0.000 0.956 280 L CB 0.743 42.809 42.059 0.012 0.000 1.270 280 L HN 0.280 nan 8.230 nan 0.000 0.528 281 G N 1.458 110.268 108.800 0.016 0.000 2.221 281 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.265 281 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.265 281 G C -0.107 174.808 174.900 0.024 0.000 1.041 281 G CA 0.123 45.234 45.100 0.019 0.000 0.807 281 G HN 0.254 nan 8.290 nan 0.000 0.502 282 L N -0.763 120.476 121.223 0.028 0.000 2.325 282 L HA 0.833 5.173 4.340 -0.000 0.000 0.278 282 L C 0.297 177.191 176.870 0.040 0.000 1.023 282 L CA -0.910 53.951 54.840 0.035 0.000 0.811 282 L CB 2.255 44.335 42.059 0.035 0.000 1.249 282 L HN 0.164 nan 8.230 nan 0.000 0.431 283 K N 1.999 122.428 120.400 0.049 0.000 2.606 283 K HA 0.305 4.625 4.320 -0.000 0.000 0.259 283 K C -1.639 174.998 176.600 0.062 0.000 1.001 283 K CA -0.571 55.746 56.287 0.051 0.000 0.881 283 K CB 1.920 34.447 32.500 0.045 0.000 1.288 283 K HN 0.298 nan 8.250 nan 0.000 0.452 284 V N 4.941 124.893 119.914 0.064 0.000 2.381 284 V HA 0.093 4.212 4.120 -0.000 0.000 0.257 284 V C 0.062 176.197 176.094 0.068 0.000 1.057 284 V CA 0.004 62.347 62.300 0.071 0.000 1.013 284 V CB 0.399 32.268 31.823 0.077 0.000 1.069 284 V HN 0.606 nan 8.190 nan 0.000 0.484 285 E N 4.046 124.287 120.200 0.069 0.000 2.200 285 E HA 0.679 5.029 4.350 -0.000 0.000 0.283 285 E C 0.359 176.997 176.600 0.063 0.000 1.015 285 E CA -0.098 56.342 56.400 0.065 0.000 0.819 285 E CB 2.127 31.867 29.700 0.067 0.000 1.081 285 E HN 0.829 nan 8.360 nan 0.000 0.397 286 G N 1.712 110.552 108.800 0.067 0.000 2.443 286 G HA2 0.250 4.210 3.960 -0.000 0.000 0.303 286 G HA3 0.250 4.210 3.960 -0.000 0.000 0.303 286 G C -0.213 174.735 174.900 0.080 0.000 1.613 286 G CA -0.723 44.422 45.100 0.075 0.000 0.879 286 G HN 0.403 nan 8.290 nan 0.000 0.632 287 L N -0.241 121.030 121.223 0.079 0.000 2.781 287 L HA 0.339 4.679 4.340 -0.000 0.000 0.245 287 L C 1.151 178.070 176.870 0.082 0.000 1.118 287 L CA -0.162 54.722 54.840 0.074 0.000 0.918 287 L CB 0.428 42.523 42.059 0.061 0.000 1.246 287 L HN 0.367 nan 8.230 nan 0.000 0.526 288 K N 2.381 122.847 120.400 0.111 0.000 2.262 288 K HA 0.284 4.604 4.320 -0.000 0.000 0.288 288 K C 0.515 177.162 176.600 0.079 0.000 1.090 288 K CA -0.124 56.241 56.287 0.130 0.000 0.918 288 K CB 0.505 33.142 32.500 0.229 0.000 1.139 288 K HN 0.083 nan 8.250 nan 0.000 0.462 289 G N 3.273 112.068 108.800 -0.009 0.000 2.353 289 G HA2 0.073 4.033 3.960 -0.000 0.000 0.239 289 G HA3 0.073 4.033 3.960 -0.000 0.000 0.239 289 G C -0.629 174.044 174.900 -0.377 0.000 1.295 289 G CA -0.297 44.696 45.100 -0.179 0.000 0.884 289 G HN 0.591 nan 8.290 nan 0.000 0.537 290 R N 1.132 121.328 120.500 -0.508 0.000 2.472 290 R HA 0.250 4.590 4.340 -0.000 0.000 0.294 290 R C -0.681 175.317 176.300 -0.503 0.000 1.243 290 R CA -0.603 55.145 56.100 -0.587 0.000 1.023 290 R CB 0.039 29.890 30.300 -0.748 0.000 1.157 290 R HN 0.659 nan 8.270 nan 0.000 0.530 291 H N 4.390 123.211 119.070 -0.414 0.000 2.473 291 H HA 0.366 4.921 4.556 -0.000 0.000 0.327 291 H C -0.543 174.300 175.328 -0.808 0.000 1.105 291 H CA -0.202 55.268 56.048 -0.964 0.000 1.280 291 H CB 1.175 30.560 29.762 -0.629 0.000 1.450 291 H HN 0.651 nan 8.280 nan 0.000 0.492 292 Y N -0.348 119.406 120.300 -0.911 0.000 2.713 292 Y HA 0.594 5.144 4.550 -0.000 0.000 0.335 292 Y C -1.288 174.290 175.900 -0.538 0.000 1.222 292 Y CA -1.353 56.269 58.100 -0.797 0.000 1.061 292 Y CB 1.738 40.045 38.460 -0.255 0.000 1.314 292 Y HN 0.536 nan 8.280 nan 0.000 0.453 293 R N 1.121 121.421 120.500 -0.334 0.000 2.535 293 R HA 0.592 4.932 4.340 -0.000 0.000 0.274 293 R C -1.671 174.604 176.300 -0.043 0.000 1.090 293 R CA -0.396 55.649 56.100 -0.092 0.000 0.930 293 R CB 2.000 32.366 30.300 0.110 0.000 1.223 293 R HN 1.061 nan 8.270 nan 0.000 0.441 294 T N 0.241 114.778 114.554 -0.028 0.000 2.902 294 T HA 0.718 5.068 4.350 -0.000 0.000 0.283 294 T C -0.243 174.394 174.700 -0.106 0.000 1.009 294 T CA -0.604 61.461 62.100 -0.059 0.000 1.051 294 T CB 1.638 70.497 68.868 -0.015 0.000 0.999 294 T HN 0.595 nan 8.240 nan 0.000 0.474 295 S N 0.366 115.992 115.700 -0.124 0.000 2.570 295 S HA 0.768 5.238 4.470 -0.000 0.000 0.270 295 S C -1.292 173.156 174.600 -0.252 0.000 1.149 295 S CA -0.866 57.236 58.200 -0.164 0.000 0.837 295 S CB 1.737 64.902 63.200 -0.058 0.000 1.124 295 S HN 1.329 nan 8.310 nan 0.000 0.465 296 V N 1.448 121.148 119.914 -0.357 0.000 2.808 296 V HA 0.867 4.986 4.120 -0.000 0.000 0.308 296 V C -1.096 174.811 176.094 -0.312 0.000 1.099 296 V CA -0.126 61.886 62.300 -0.480 0.000 0.920 296 V CB 1.670 32.883 31.823 -1.018 0.000 1.014 296 V HN 1.706 nan 8.190 nan 0.000 0.425 297 V N 4.186 123.942 119.914 -0.265 0.000 3.040 297 V HA 0.680 4.799 4.120 -0.000 0.000 0.312 297 V C -0.319 175.838 176.094 0.104 0.000 1.115 297 V CA -1.094 61.139 62.300 -0.112 0.000 0.998 297 V CB 1.862 33.458 31.823 -0.378 0.000 1.042 297 V HN 0.897 nan 8.190 nan 0.000 0.433 298 L N 3.507 124.882 121.223 0.253 0.000 2.506 298 L HA 0.268 4.608 4.340 -0.000 0.000 0.281 298 L C -1.125 175.818 176.870 0.122 0.000 1.228 298 L CA -0.922 54.086 54.840 0.281 0.000 0.850 298 L CB 1.080 43.243 42.059 0.173 0.000 1.110 298 L HN 0.620 nan 8.230 nan 0.000 0.496 299 P HA 0.059 nan 4.420 nan 0.000 0.249 299 P C 0.371 177.947 177.300 0.461 0.000 1.241 299 P CA 0.583 63.686 63.100 0.006 0.000 0.781 299 P CB 0.499 31.954 31.700 -0.409 0.000 1.088 300 G N -0.835 108.210 108.800 0.408 0.000 2.511 300 G HA2 0.017 3.977 3.960 -0.000 0.000 0.230 300 G HA3 0.017 3.977 3.960 -0.000 0.000 0.230 300 G C -0.856 174.120 174.900 0.126 0.000 1.264 300 G CA -0.706 44.598 45.100 0.341 0.000 0.866 300 G HN 0.074 nan 8.290 nan 0.000 0.523 301 V N 1.137 120.969 119.914 -0.138 0.000 2.357 301 V HA 0.703 4.822 4.120 -0.000 0.000 0.284 301 V C 0.393 176.287 176.094 -0.334 0.000 1.018 301 V CA -1.011 61.042 62.300 -0.412 0.000 0.841 301 V CB 1.577 33.041 31.823 -0.599 0.000 0.991 301 V HN 0.594 nan 8.190 nan 0.000 0.437 302 L N 5.668 126.751 121.223 -0.234 0.000 2.326 302 L HA 0.696 5.036 4.340 -0.000 0.000 0.278 302 L C -0.295 176.507 176.870 -0.115 0.000 1.092 302 L CA 0.086 54.853 54.840 -0.121 0.000 0.810 302 L CB 1.221 43.318 42.059 0.062 0.000 1.153 302 L HN 0.826 nan 8.230 nan 0.000 0.439 303 M N 5.639 125.178 119.600 -0.101 0.000 2.259 303 M HA 0.563 5.043 4.480 -0.000 0.000 0.304 303 M C -1.818 174.370 176.300 -0.188 0.000 1.019 303 M CA -0.641 54.585 55.300 -0.123 0.000 0.922 303 M CB 1.661 34.283 32.600 0.036 0.000 1.600 303 M HN 0.358 nan 8.290 nan 0.000 0.433 304 V N 4.558 124.297 119.914 -0.291 0.000 2.284 304 V HA 0.338 4.458 4.120 -0.000 0.000 0.274 304 V C -0.322 175.610 176.094 -0.271 0.000 1.023 304 V CA -0.679 61.465 62.300 -0.260 0.000 0.808 304 V CB 0.903 32.504 31.823 -0.369 0.000 1.035 304 V HN 0.879 nan 8.190 nan 0.000 0.445 305 E N 3.116 123.143 120.200 -0.288 0.000 2.392 305 E HA 0.147 4.497 4.350 -0.000 0.000 0.264 305 E C 0.585 176.850 176.600 -0.558 0.000 1.024 305 E CA -0.067 56.083 56.400 -0.418 0.000 0.903 305 E CB 0.149 29.570 29.700 -0.465 0.000 0.963 305 E HN 0.682 nan 8.360 nan 0.000 0.432 306 N N 1.707 120.101 118.700 -0.509 0.000 2.738 306 N HA -0.174 4.566 4.740 -0.000 0.000 0.249 306 N C -1.976 173.369 175.510 -0.275 0.000 1.047 306 N CA 0.602 53.372 53.050 -0.466 0.000 0.707 306 N CB -0.434 37.563 38.487 -0.818 0.000 0.937 306 N HN 0.545 nan 8.380 nan 0.000 0.545 307 W N 0.568 121.630 121.300 -0.397 0.000 3.097 307 W HA 0.423 5.083 4.660 -0.000 0.000 0.335 307 W C -2.421 173.894 176.519 -0.339 0.000 1.114 307 W CA -1.671 55.442 57.345 -0.388 0.000 1.231 307 W CB 1.688 30.891 29.460 -0.428 0.000 1.388 307 W HN -0.031 nan 8.180 nan 0.000 0.485 308 P HA 0.076 nan 4.420 nan 0.000 0.255 308 P C -0.384 176.527 177.300 -0.648 0.000 1.248 308 P CA 1.024 63.379 63.100 -1.242 0.000 0.807 308 P CB 1.259 32.400 31.700 -0.932 0.000 1.150 309 E N -0.543 119.443 120.200 -0.356 0.000 2.449 309 E HA 0.266 4.616 4.350 -0.000 0.000 0.278 309 E C -0.701 175.808 176.600 -0.151 0.000 0.992 309 E CA -0.947 55.350 56.400 -0.171 0.000 0.807 309 E CB 1.469 31.186 29.700 0.029 0.000 1.350 309 E HN -0.033 nan 8.360 nan 0.000 0.462 310 E N 0.537 120.659 120.200 -0.130 0.000 2.442 310 E HA -0.036 4.314 4.350 -0.000 0.000 0.262 310 E C -0.507 175.986 176.600 -0.178 0.000 1.004 310 E CA 0.873 57.132 56.400 -0.234 0.000 0.928 310 E CB 0.073 29.582 29.700 -0.318 0.000 0.937 310 E HN 0.598 nan 8.360 nan 0.000 0.446 311 H N -1.937 117.119 119.070 -0.023 0.000 3.641 311 H HA -0.174 4.381 4.556 -0.000 0.000 0.193 311 H C -0.629 174.648 175.328 -0.085 0.000 1.013 311 H CA 0.537 56.564 56.048 -0.036 0.000 1.212 311 H CB -1.126 28.623 29.762 -0.022 0.000 1.089 311 H HN 0.147 nan 8.280 nan 0.000 0.339 312 V N 0.791 120.688 119.914 -0.027 0.000 2.628 312 V HA 0.636 4.755 4.120 -0.000 0.000 0.306 312 V C -0.095 175.925 176.094 -0.122 0.000 1.045 312 V CA -0.405 61.849 62.300 -0.077 0.000 0.905 312 V CB 2.094 33.861 31.823 -0.094 0.000 0.997 312 V HN 0.074 nan 8.190 nan 0.000 0.436 313 V N 3.883 123.723 119.914 -0.123 0.000 2.876 313 V HA 0.600 4.720 4.120 -0.000 0.000 0.312 313 V C -0.849 175.082 176.094 -0.272 0.000 1.085 313 V CA -0.373 61.781 62.300 -0.243 0.000 0.945 313 V CB 2.107 33.722 31.823 -0.346 0.000 1.017 313 V HN 1.030 nan 8.190 nan 0.000 0.428 314 Q N 3.696 123.303 119.800 -0.321 0.000 2.316 314 Q HA 0.557 4.897 4.340 -0.000 0.000 0.264 314 Q C -2.086 173.670 176.000 -0.407 0.000 0.987 314 Q CA -0.528 55.148 55.803 -0.213 0.000 0.852 314 Q CB 1.839 30.549 28.738 -0.047 0.000 1.287 314 Q HN 0.786 nan 8.270 nan 0.000 0.448 315 Y N 1.335 121.636 120.300 0.001 0.000 2.446 315 Y HA 0.456 5.006 4.550 -0.000 0.000 0.345 315 Y C -0.315 175.496 175.900 -0.148 0.000 0.984 315 Y CA -0.803 57.196 58.100 -0.167 0.000 1.058 315 Y CB 2.221 40.546 38.460 -0.224 0.000 1.220 315 Y HN 0.532 nan 8.280 nan 0.000 0.455 316 E N 2.386 122.481 120.200 -0.175 0.000 2.314 316 E HA 0.319 4.669 4.350 -0.000 0.000 0.272 316 E C -1.505 174.828 176.600 -0.446 0.000 0.884 316 E CA -0.853 55.459 56.400 -0.147 0.000 0.753 316 E CB 2.519 32.206 29.700 -0.021 0.000 1.213 316 E HN 0.495 nan 8.360 nan 0.000 0.432 317 W N 1.170 122.272 121.300 -0.329 0.000 2.882 317 W HA 0.389 5.049 4.660 -0.000 0.000 0.345 317 W C -0.920 175.320 176.519 -0.465 0.000 1.125 317 W CA -0.640 56.539 57.345 -0.277 0.000 1.167 317 W CB 1.623 30.969 29.460 -0.190 0.000 1.431 317 W HN 0.597 nan 8.180 nan 0.000 0.543 318 Y N 0.624 121.256 120.300 0.553 0.000 2.544 318 Y HA 0.252 4.802 4.550 -0.000 0.000 0.347 318 Y C 0.087 176.223 175.900 0.393 0.000 1.089 318 Y CA -0.729 57.666 58.100 0.491 0.000 1.230 318 Y CB 0.224 38.881 38.460 0.330 0.000 1.101 318 Y HN -0.147 nan 8.280 nan 0.000 0.641 319 V N 3.963 124.100 119.914 0.371 0.000 2.439 319 V HA 0.164 4.284 4.120 -0.000 0.000 0.271 319 V C -2.140 173.925 176.094 -0.049 0.000 1.040 319 V CA -1.867 60.462 62.300 0.049 0.000 1.002 319 V CB 0.456 32.237 31.823 -0.070 0.000 1.000 319 V HN 0.339 nan 8.190 nan 0.000 0.477 320 P HA 0.236 nan 4.420 nan 0.000 0.268 320 P C 0.471 177.677 177.300 -0.157 0.000 1.204 320 P CA 0.246 63.221 63.100 -0.208 0.000 0.768 320 P CB 0.886 32.272 31.700 -0.525 0.000 0.842 321 I N 0.598 121.141 120.570 -0.046 0.000 3.196 321 I HA 0.056 4.226 4.170 -0.000 0.000 0.248 321 I C 1.348 177.470 176.117 0.008 0.000 1.105 321 I CA 0.908 62.210 61.300 0.003 0.000 1.482 321 I CB -0.087 37.937 38.000 0.041 0.000 1.400 321 I HN 0.397 nan 8.210 nan 0.000 0.464 322 T N -2.592 111.899 114.554 -0.105 0.000 2.633 322 T HA 0.171 4.521 4.350 -0.000 0.000 0.262 322 T C 0.273 174.549 174.700 -0.707 0.000 0.920 322 T CA -0.242 61.626 62.100 -0.388 0.000 1.062 322 T CB 0.967 69.650 68.868 -0.308 0.000 1.390 322 T HN 0.218 nan 8.240 nan 0.000 0.549 323 D N -0.139 119.460 120.400 -1.334 0.000 2.355 323 D HA 0.026 4.666 4.640 -0.000 0.000 0.218 323 D C 0.584 176.740 176.300 -0.239 0.000 1.004 323 D CA 0.473 53.942 54.000 -0.884 0.000 0.880 323 D CB -0.249 39.828 40.800 -1.204 0.000 0.911 323 D HN 0.723 nan 8.370 nan 0.000 0.528 324 D N -0.349 119.921 120.400 -0.217 0.000 2.582 324 D HA 0.050 4.690 4.640 -0.000 0.000 0.246 324 D C -0.267 176.008 176.300 -0.042 0.000 1.334 324 D CA -0.304 53.634 54.000 -0.103 0.000 0.805 324 D CB -0.182 40.433 40.800 -0.309 0.000 1.087 324 D HN 0.098 nan 8.370 nan 0.000 0.499 325 T N -2.246 112.290 114.554 -0.030 0.000 2.894 325 T HA 0.624 4.974 4.350 -0.000 0.000 0.309 325 T C -0.791 173.934 174.700 0.041 0.000 1.208 325 T CA -0.831 61.242 62.100 -0.045 0.000 1.016 325 T CB 2.490 71.296 68.868 -0.103 0.000 1.192 325 T HN 0.339 nan 8.240 nan 0.000 0.491 326 H N -0.019 118.997 119.070 -0.090 0.000 3.037 326 H HA 0.686 5.242 4.556 -0.000 0.000 0.355 326 H C -1.691 173.580 175.328 -0.095 0.000 1.263 326 H CA -0.749 55.282 56.048 -0.027 0.000 1.129 326 H CB 1.864 31.709 29.762 0.138 0.000 1.861 326 H HN 0.638 nan 8.280 nan 0.000 0.546 327 E N 1.546 121.698 120.200 -0.081 0.000 2.081 327 E HA 0.177 4.527 4.350 -0.000 0.000 0.276 327 E C -1.601 175.090 176.600 0.151 0.000 0.950 327 E CA -0.706 55.550 56.400 -0.241 0.000 0.776 327 E CB 0.194 29.495 29.700 -0.665 0.000 1.094 327 E HN 0.427 nan 8.360 nan 0.000 0.402 328 Y N 5.022 125.302 120.300 -0.032 0.000 2.404 328 Y HA 0.394 4.944 4.550 -0.000 0.000 0.344 328 Y C -1.321 174.605 175.900 0.043 0.000 0.995 328 Y CA -1.077 57.101 58.100 0.129 0.000 1.201 328 Y CB 0.264 38.800 38.460 0.127 0.000 1.151 328 Y HN 0.476 nan 8.280 nan 0.000 0.517 329 W N 5.469 126.596 121.300 -0.288 0.000 2.469 329 W HA 0.535 5.195 4.660 -0.000 0.000 0.320 329 W C -0.523 175.752 176.519 -0.406 0.000 1.086 329 W CA -0.753 56.443 57.345 -0.249 0.000 1.211 329 W CB 1.289 30.744 29.460 -0.008 0.000 1.298 329 W HN 0.492 nan 8.180 nan 0.000 0.525 330 E N 4.484 124.641 120.200 -0.073 0.000 2.283 330 E HA 0.473 4.823 4.350 -0.000 0.000 0.258 330 E C -1.177 175.561 176.600 0.230 0.000 0.893 330 E CA -0.481 55.896 56.400 -0.039 0.000 0.798 330 E CB 1.020 30.564 29.700 -0.261 0.000 1.242 330 E HN 0.558 nan 8.360 nan 0.000 0.414 331 I N 1.103 121.873 120.570 0.334 0.000 2.865 331 I HA 0.576 4.746 4.170 -0.000 0.000 0.302 331 I C -1.616 174.688 176.117 0.311 0.000 1.140 331 I CA -1.166 60.362 61.300 0.380 0.000 1.021 331 I CB 1.893 40.217 38.000 0.540 0.000 1.233 331 I HN 0.344 nan 8.210 nan 0.000 0.427 332 L N 4.913 126.311 121.223 0.290 0.000 2.341 332 L HA 0.731 5.071 4.340 -0.000 0.000 0.278 332 L C -0.769 176.333 176.870 0.386 0.000 1.005 332 L CA -1.039 53.966 54.840 0.274 0.000 0.818 332 L CB 2.081 44.304 42.059 0.273 0.000 1.259 332 L HN 0.426 nan 8.230 nan 0.000 0.418 333 V N 3.039 123.128 119.914 0.291 0.000 2.680 333 V HA 0.654 4.774 4.120 -0.000 0.000 0.309 333 V C -0.425 175.667 176.094 -0.003 0.000 1.052 333 V CA -0.714 61.733 62.300 0.246 0.000 0.908 333 V CB 2.255 34.264 31.823 0.310 0.000 1.001 333 V HN 0.770 nan 8.190 nan 0.000 0.431 334 R N 2.090 122.448 120.500 -0.237 0.000 2.566 334 R HA 0.601 4.940 4.340 -0.000 0.000 0.271 334 R C -1.958 174.166 176.300 -0.293 0.000 1.071 334 R CA -0.524 55.298 56.100 -0.463 0.000 0.915 334 R CB 2.246 31.832 30.300 -1.191 0.000 1.228 334 R HN 0.522 nan 8.270 nan 0.000 0.449 335 V N 3.920 123.741 119.914 -0.155 0.000 2.470 335 V HA 0.191 4.311 4.120 -0.000 0.000 0.276 335 V C -0.297 175.739 176.094 -0.097 0.000 1.040 335 V CA -0.127 62.125 62.300 -0.080 0.000 1.008 335 V CB 0.873 32.677 31.823 -0.032 0.000 0.990 335 V HN 0.723 nan 8.190 nan 0.000 0.477 336 C N 8.315 127.586 119.300 -0.050 0.000 2.409 336 C HA 0.341 4.801 4.460 -0.000 0.000 0.297 336 C C -0.523 174.475 174.990 0.013 0.000 1.083 336 C CA -0.884 58.127 59.018 -0.012 0.000 1.515 336 C CB 0.967 28.733 27.740 0.045 0.000 1.869 336 C HN 0.723 nan 8.230 nan 0.000 0.413 337 P HA -0.058 nan 4.420 nan 0.000 0.219 337 P C 0.611 177.923 177.300 0.020 0.000 1.150 337 P CA 1.521 64.628 63.100 0.011 0.000 0.814 337 P CB 0.161 31.862 31.700 0.001 0.000 0.787 338 T N -4.221 110.347 114.554 0.024 0.000 2.950 338 T HA 0.302 4.652 4.350 -0.000 0.000 0.288 338 T C 0.815 175.542 174.700 0.045 0.000 1.035 338 T CA -0.605 61.513 62.100 0.030 0.000 1.028 338 T CB 1.698 70.580 68.868 0.024 0.000 1.109 338 T HN -0.293 nan 8.240 nan 0.000 0.514 339 D N -0.077 120.350 120.400 0.044 0.000 2.149 339 D HA -0.134 4.506 4.640 -0.000 0.000 0.198 339 D C 1.788 178.125 176.300 0.062 0.000 0.990 339 D CA 1.031 55.063 54.000 0.054 0.000 0.839 339 D CB 0.009 40.835 40.800 0.043 0.000 0.948 339 D HN 0.630 nan 8.370 nan 0.000 0.460 340 E N 0.542 120.771 120.200 0.049 0.000 2.077 340 E HA -0.145 4.205 4.350 -0.000 0.000 0.193 340 E C 1.619 178.261 176.600 0.069 0.000 0.989 340 E CA 0.880 57.309 56.400 0.048 0.000 0.800 340 E CB -0.162 29.556 29.700 0.031 0.000 0.746 340 E HN 0.399 nan 8.360 nan 0.000 0.452 341 D N 0.091 120.532 120.400 0.068 0.000 2.117 341 D HA -0.146 4.494 4.640 -0.000 0.000 0.197 341 D C 2.093 178.488 176.300 0.158 0.000 0.987 341 D CA 0.823 54.874 54.000 0.086 0.000 0.829 341 D CB -0.235 40.594 40.800 0.048 0.000 0.961 341 D HN 0.183 nan 8.370 nan 0.000 0.460 342 R N 0.919 121.514 120.500 0.159 0.000 2.083 342 R HA -0.080 4.260 4.340 -0.000 0.000 0.237 342 R C 2.264 178.717 176.300 0.255 0.000 1.137 342 R CA 0.920 57.160 56.100 0.233 0.000 0.951 342 R CB -0.217 30.185 30.300 0.170 0.000 0.851 342 R HN 0.244 nan 8.270 nan 0.000 0.434 343 K N 0.621 121.126 120.400 0.174 0.000 2.097 343 K HA -0.097 4.223 4.320 -0.000 0.000 0.206 343 K C 2.113 178.829 176.600 0.194 0.000 1.049 343 K CA 0.981 57.362 56.287 0.158 0.000 0.933 343 K CB -0.002 32.559 32.500 0.101 0.000 0.717 343 K HN 0.023 nan 8.250 nan 0.000 0.442 344 K N 0.504 121.016 120.400 0.187 0.000 2.057 344 K HA -0.129 4.191 4.320 -0.000 0.000 0.207 344 K C 2.023 178.819 176.600 0.327 0.000 1.049 344 K CA 1.093 57.501 56.287 0.201 0.000 0.931 344 K CB -0.447 32.145 32.500 0.153 0.000 0.714 344 K HN 0.104 nan 8.250 nan 0.000 0.440 345 F N 2.616 122.679 119.950 0.188 0.000 2.113 345 F HA -0.195 4.332 4.527 -0.000 0.000 0.297 345 F C 2.592 178.546 175.800 0.257 0.000 1.103 345 F CA 1.577 59.731 58.000 0.257 0.000 1.248 345 F CB -0.651 38.513 39.000 0.273 0.000 0.999 345 F HN 0.050 nan 8.300 nan 0.000 0.475 346 Q N -0.677 119.223 119.800 0.166 0.000 2.135 346 Q HA -0.282 4.058 4.340 -0.000 0.000 0.204 346 Q C 2.162 178.118 176.000 -0.073 0.000 0.981 346 Q CA 2.192 57.919 55.803 -0.125 0.000 0.856 346 Q CB -1.005 27.744 28.738 0.018 0.000 0.902 346 Q HN 0.602 nan 8.270 nan 0.000 0.425 347 Y N 0.023 120.310 120.300 -0.023 0.000 2.163 347 Y HA -0.109 4.441 4.550 -0.000 0.000 0.288 347 Y C 2.342 178.216 175.900 -0.043 0.000 1.136 347 Y CA 1.922 60.032 58.100 0.017 0.000 1.147 347 Y CB -0.058 38.451 38.460 0.082 0.000 0.987 347 Y HN 0.065 nan 8.280 nan 0.000 0.509 348 R N -1.156 119.396 120.500 0.086 0.000 2.148 348 R HA -0.205 4.135 4.340 -0.000 0.000 0.227 348 R C 2.095 178.064 176.300 -0.551 0.000 1.103 348 R CA 1.470 57.439 56.100 -0.218 0.000 0.983 348 R CB -0.577 29.593 30.300 -0.216 0.000 0.874 348 R HN 0.545 nan 8.270 nan 0.000 0.451 349 Y N 1.199 121.221 120.300 -0.462 0.000 2.184 349 Y HA -0.156 4.394 4.550 -0.000 0.000 0.290 349 Y C 1.522 177.194 175.900 -0.380 0.000 1.129 349 Y CA 1.798 59.696 58.100 -0.338 0.000 1.144 349 Y CB -0.132 38.033 38.460 -0.492 0.000 0.995 349 Y HN 0.069 nan 8.280 nan 0.000 0.513 350 D N -0.900 119.183 120.400 -0.529 0.000 2.117 350 D HA -0.170 4.470 4.640 -0.000 0.000 0.197 350 D C 1.457 177.216 176.300 -0.902 0.000 0.987 350 D CA 1.796 55.338 54.000 -0.763 0.000 0.829 350 D CB -0.317 39.956 40.800 -0.878 0.000 0.961 350 D HN 0.553 nan 8.370 nan 0.000 0.460 351 H N -1.789 116.983 119.070 -0.496 0.000 2.594 351 H HA 0.268 4.824 4.556 -0.000 0.000 0.279 351 H C 1.408 176.547 175.328 -0.315 0.000 1.042 351 H CA 0.066 55.863 56.048 -0.419 0.000 1.177 351 H CB 1.151 30.578 29.762 -0.559 0.000 1.524 351 H HN 0.095 nan 8.280 nan 0.000 0.537 352 M N -1.106 118.321 119.600 -0.289 0.000 2.023 352 M HA -0.017 4.463 4.480 -0.000 0.000 0.182 352 M C 1.143 177.371 176.300 -0.120 0.000 1.753 352 M CA 0.390 55.560 55.300 -0.217 0.000 0.945 352 M CB -0.272 32.150 32.600 -0.297 0.000 1.521 352 M HN -0.060 nan 8.290 nan 0.000 0.599 353 Y N 1.607 121.822 120.300 -0.141 0.000 2.097 353 Y HA -0.182 4.368 4.550 -0.000 0.000 0.282 353 Y C 2.485 178.254 175.900 -0.219 0.000 1.152 353 Y CA 1.917 59.951 58.100 -0.110 0.000 1.136 353 Y CB -1.372 37.105 38.460 0.029 0.000 0.975 353 Y HN 0.300 nan 8.280 nan 0.000 0.498 354 K N 0.233 120.389 120.400 -0.407 0.000 1.991 354 K HA -0.160 4.160 4.320 -0.000 0.000 0.212 354 K C -0.657 175.884 176.600 -0.099 0.000 1.049 354 K CA 1.879 57.892 56.287 -0.456 0.000 0.932 354 K CB -1.145 30.833 32.500 -0.871 0.000 0.717 354 K HN 0.211 nan 8.250 nan 0.000 0.441 355 P HA -0.137 nan 4.420 nan 0.000 0.217 355 P C 1.362 178.707 177.300 0.075 0.000 1.151 355 P CA 1.419 64.525 63.100 0.010 0.000 0.828 355 P CB 0.069 31.732 31.700 -0.062 0.000 0.788 356 L N -1.827 119.428 121.223 0.052 0.000 2.354 356 L HA 0.070 4.409 4.340 -0.000 0.000 0.212 356 L C 2.542 179.519 176.870 0.178 0.000 1.091 356 L CA 0.646 55.540 54.840 0.090 0.000 0.828 356 L CB -0.362 41.708 42.059 0.018 0.000 0.973 356 L HN 0.039 nan 8.230 nan 0.000 0.461 357 C N -0.812 118.599 119.300 0.184 0.000 2.742 357 C HA 0.096 4.556 4.460 -0.000 0.000 0.284 357 C C 2.485 177.650 174.990 0.292 0.000 1.481 357 C CA -0.341 58.835 59.018 0.263 0.000 1.809 357 C CB -0.444 27.421 27.740 0.209 0.000 1.991 357 C HN 0.297 nan 8.230 nan 0.000 0.660 358 L N 0.363 121.688 121.223 0.171 0.000 2.083 358 L HA -0.087 4.253 4.340 -0.000 0.000 0.209 358 L C 0.836 177.711 176.870 0.008 0.000 1.083 358 L CA 1.395 56.283 54.840 0.080 0.000 0.752 358 L CB -0.760 41.280 42.059 -0.032 0.000 0.899 358 L HN 0.554 nan 8.230 nan 0.000 0.433 359 H N -1.400 117.767 119.070 0.162 0.000 2.573 359 H HA 0.434 4.990 4.556 -0.000 0.000 0.351 359 H C 0.737 176.171 175.328 0.177 0.000 1.163 359 H CA 0.321 56.459 56.048 0.149 0.000 1.205 359 H CB 1.843 31.650 29.762 0.076 0.000 1.605 359 H HN 0.126 nan 8.280 nan 0.000 0.525 360 G N 2.190 111.182 108.800 0.321 0.000 5.259 360 G HA2 -0.377 3.583 3.960 -0.000 0.000 0.288 360 G HA3 -0.377 3.583 3.960 -0.000 0.000 0.288 360 G C 1.067 176.149 174.900 0.303 0.000 1.534 360 G CA 0.664 45.918 45.100 0.257 0.000 1.031 360 G HN 0.534 nan 8.290 nan 0.000 0.724 361 F N 2.634 122.717 119.950 0.222 0.000 2.051 361 F HA 0.062 4.589 4.527 -0.000 0.000 0.296 361 F C 2.520 178.507 175.800 0.310 0.000 1.122 361 F CA 2.726 60.876 58.000 0.250 0.000 1.201 361 F CB -0.408 38.722 39.000 0.216 0.000 0.978 361 F HN 0.357 nan 8.300 nan 0.000 0.472 362 N N -0.248 118.720 118.700 0.446 0.000 2.457 362 N HA -0.129 4.610 4.740 -0.000 0.000 0.180 362 N C 1.048 176.721 175.510 0.271 0.000 1.050 362 N CA 0.727 53.993 53.050 0.360 0.000 0.906 362 N CB -0.105 38.627 38.487 0.408 0.000 0.968 362 N HN 0.227 nan 8.380 nan 0.000 0.445 363 D N -0.065 120.503 120.400 0.280 0.000 2.178 363 D HA -0.057 4.583 4.640 -0.000 0.000 0.201 363 D C 1.663 178.133 176.300 0.283 0.000 0.980 363 D CA 0.841 55.012 54.000 0.285 0.000 0.842 363 D CB -0.135 40.882 40.800 0.361 0.000 0.948 363 D HN 0.086 nan 8.370 nan 0.000 0.472 364 S N 0.530 116.357 115.700 0.211 0.000 2.399 364 S HA -0.128 4.342 4.470 -0.000 0.000 0.231 364 S C 1.390 176.022 174.600 0.053 0.000 1.022 364 S CA 0.845 59.117 58.200 0.121 0.000 0.983 364 S CB -0.048 63.109 63.200 -0.073 0.000 0.803 364 S HN 0.286 nan 8.310 nan 0.000 0.480 365 D N 1.316 121.740 120.400 0.039 0.000 2.144 365 D HA -0.004 4.636 4.640 -0.000 0.000 0.200 365 D C 1.935 178.174 176.300 -0.103 0.000 0.978 365 D CA 0.437 54.420 54.000 -0.028 0.000 0.833 365 D CB -0.271 40.542 40.800 0.021 0.000 0.961 365 D HN 0.285 nan 8.370 nan 0.000 0.470 366 L N 0.131 121.275 121.223 -0.132 0.000 1.990 366 L HA -0.266 4.074 4.340 -0.000 0.000 0.213 366 L C 2.415 179.071 176.870 -0.356 0.000 1.072 366 L CA 1.580 56.233 54.840 -0.313 0.000 0.755 366 L CB -0.361 41.423 42.059 -0.458 0.000 0.889 366 L HN 0.115 nan 8.230 nan 0.000 0.432 367 Y N -1.115 119.185 120.300 0.000 0.000 2.373 367 Y HA -0.096 4.454 4.550 -0.000 0.000 0.293 367 Y C 2.460 178.342 175.900 -0.029 0.000 1.129 367 Y CA 0.690 58.788 58.100 -0.002 0.000 1.226 367 Y CB -0.640 37.817 38.460 -0.004 0.000 1.000 367 Y HN 0.200 nan 8.280 nan 0.000 0.549 368 A N 0.792 123.643 122.820 0.052 0.000 1.873 368 A HA -0.188 4.131 4.320 -0.000 0.000 0.215 368 A C 2.218 179.771 177.584 -0.051 0.000 1.186 368 A CA 1.590 53.620 52.037 -0.012 0.000 0.616 368 A CB -0.528 18.439 19.000 -0.054 0.000 0.823 368 A HN 0.392 nan 8.150 nan 0.000 0.442 369 R N -0.454 119.989 120.500 -0.095 0.000 2.073 369 R HA -0.130 4.210 4.340 -0.000 0.000 0.234 369 R C 2.240 178.509 176.300 -0.052 0.000 1.134 369 R CA 1.581 57.609 56.100 -0.121 0.000 0.952 369 R CB -0.361 29.843 30.300 -0.160 0.000 0.850 369 R HN 0.673 nan 8.270 nan 0.000 0.433 370 E N 0.424 120.614 120.200 -0.016 0.000 2.058 370 E HA -0.194 4.156 4.350 -0.000 0.000 0.194 370 E C 2.009 178.638 176.600 0.049 0.000 0.997 370 E CA 1.195 57.618 56.400 0.038 0.000 0.801 370 E CB -0.098 29.636 29.700 0.055 0.000 0.746 370 E HN 0.394 nan 8.360 nan 0.000 0.450 371 A N 0.665 123.511 122.820 0.043 0.000 2.076 371 A HA -0.178 4.142 4.320 -0.000 0.000 0.220 371 A C 2.001 179.608 177.584 0.038 0.000 1.160 371 A CA 1.326 53.386 52.037 0.038 0.000 0.653 371 A CB -0.389 18.626 19.000 0.025 0.000 0.801 371 A HN 0.311 nan 8.150 nan 0.000 0.455 372 M N -1.381 118.245 119.600 0.043 0.000 2.510 372 M HA -0.033 4.447 4.480 -0.000 0.000 0.256 372 M C 1.708 178.136 176.300 0.213 0.000 1.132 372 M CA 0.520 55.884 55.300 0.107 0.000 1.105 372 M CB 0.027 32.654 32.600 0.044 0.000 1.375 372 M HN 0.327 nan 8.290 nan 0.000 0.477 373 Q N 0.902 120.781 119.800 0.133 0.000 2.077 373 Q HA -0.210 4.130 4.340 -0.000 0.000 0.206 373 Q C 1.397 177.528 176.000 0.218 0.000 0.989 373 Q CA 2.111 58.011 55.803 0.162 0.000 0.853 373 Q CB -1.001 27.801 28.738 0.106 0.000 0.907 373 Q HN 0.711 nan 8.270 nan 0.000 0.418 374 N N -0.113 118.690 118.700 0.171 0.000 2.205 374 N HA -0.159 4.581 4.740 -0.000 0.000 0.186 374 N C 1.539 177.158 175.510 0.181 0.000 1.015 374 N CA 0.644 53.792 53.050 0.163 0.000 0.862 374 N CB -0.212 38.343 38.487 0.113 0.000 0.986 374 N HN 0.082 nan 8.380 nan 0.000 0.429 375 F N 0.421 120.350 119.950 -0.034 0.000 2.216 375 F HA -0.125 4.402 4.527 -0.000 0.000 0.300 375 F C 1.171 176.727 175.800 -0.406 0.000 1.085 375 F CA 1.230 59.090 58.000 -0.233 0.000 1.326 375 F CB -0.192 38.600 39.000 -0.346 0.000 1.027 375 F HN 0.076 nan 8.300 nan 0.000 0.497 376 Y N -2.981 117.213 120.300 -0.177 0.000 2.503 376 Y HA -0.023 4.527 4.550 -0.000 0.000 0.277 376 Y C 2.172 178.023 175.900 -0.080 0.000 1.102 376 Y CA 0.716 58.583 58.100 -0.388 0.000 1.261 376 Y CB -1.047 37.058 38.460 -0.591 0.000 1.096 376 Y HN 0.055 nan 8.280 nan 0.000 0.546 377 Y N 2.179 122.545 120.300 0.110 0.000 2.114 377 Y HA -0.329 4.221 4.550 -0.000 0.000 0.282 377 Y C 1.958 177.923 175.900 0.108 0.000 1.165 377 Y CA 2.041 60.214 58.100 0.122 0.000 1.148 377 Y CB -0.169 38.338 38.460 0.079 0.000 0.972 377 Y HN 0.309 nan 8.280 nan 0.000 0.504 378 D N -1.362 119.010 120.400 -0.047 0.000 2.352 378 D HA 0.104 4.744 4.640 -0.000 0.000 0.232 378 D C 1.660 177.912 176.300 -0.081 0.000 1.055 378 D CA 0.920 54.861 54.000 -0.099 0.000 0.891 378 D CB -0.211 40.598 40.800 0.014 0.000 0.897 378 D HN 0.519 nan 8.370 nan 0.000 0.529 379 G N -0.783 107.999 108.800 -0.029 0.000 2.234 379 G HA2 -0.368 3.592 3.960 -0.000 0.000 0.235 379 G HA3 -0.368 3.592 3.960 -0.000 0.000 0.235 379 G C 1.303 176.171 174.900 -0.053 0.000 0.997 379 G CA 0.478 45.631 45.100 0.090 0.000 0.623 379 G HN 0.346 nan 8.290 nan 0.000 0.514 380 T N 0.973 115.389 114.554 -0.230 0.000 2.607 380 T HA -0.042 4.308 4.350 -0.000 0.000 0.267 380 T C 2.552 176.794 174.700 -0.762 0.000 1.049 380 T CA 2.600 64.462 62.100 -0.397 0.000 1.162 380 T CB -0.861 67.772 68.868 -0.391 0.000 0.863 380 T HN 1.112 nan 8.240 nan 0.000 0.424 381 G N -0.084 107.873 108.800 -1.405 0.000 2.442 381 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.219 381 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.219 381 G C 1.223 175.532 174.900 -0.986 0.000 1.141 381 G CA 0.532 44.342 45.100 -2.150 0.000 0.763 381 G HN 0.624 nan 8.290 nan 0.000 0.554 382 W N 0.660 121.828 121.300 -0.220 0.000 2.468 382 W HA 0.096 4.756 4.660 -0.000 0.000 0.262 382 W C 1.775 178.326 176.519 0.053 0.000 1.241 382 W CA 0.592 57.993 57.345 0.093 0.000 1.232 382 W CB 0.273 29.802 29.460 0.114 0.000 1.124 382 W HN 0.154 nan 8.180 nan 0.000 0.597 383 D N -1.605 118.838 120.400 0.072 0.000 2.597 383 D HA -0.057 4.583 4.640 -0.000 0.000 0.261 383 D C 1.158 177.458 176.300 0.001 0.000 1.023 383 D CA 0.897 54.932 54.000 0.058 0.000 0.927 383 D CB -0.467 40.347 40.800 0.024 0.000 1.168 383 D HN -0.026 nan 8.370 nan 0.000 0.491 384 D N 1.302 121.632 120.400 -0.117 0.000 2.339 384 D HA -0.006 4.633 4.640 -0.000 0.000 0.217 384 D C 0.464 176.824 176.300 0.101 0.000 1.050 384 D CA 0.121 54.102 54.000 -0.033 0.000 0.856 384 D CB 0.013 40.784 40.800 -0.049 0.000 0.922 384 D HN 0.469 nan 8.370 nan 0.000 0.518 385 E N 0.808 121.049 120.200 0.068 0.000 2.415 385 E HA 0.020 4.369 4.350 -0.000 0.000 0.262 385 E C -0.320 176.379 176.600 0.165 0.000 1.038 385 E CA 0.105 56.652 56.400 0.245 0.000 0.921 385 E CB 0.474 30.315 29.700 0.234 0.000 0.950 385 E HN 0.050 nan 8.360 nan 0.000 0.438 386 Q N 3.128 123.010 119.800 0.136 0.000 2.571 386 Q HA 0.293 4.632 4.340 -0.000 0.000 0.243 386 Q C -0.503 175.550 176.000 0.088 0.000 1.055 386 Q CA -0.333 55.528 55.803 0.095 0.000 0.815 386 Q CB 0.952 29.728 28.738 0.064 0.000 1.151 386 Q HN 0.494 nan 8.270 nan 0.000 0.519 387 L N 1.668 122.956 121.223 0.107 0.000 2.464 387 L HA 0.426 4.765 4.340 -0.000 0.000 0.264 387 L C 0.664 177.584 176.870 0.085 0.000 1.199 387 L CA -0.456 54.444 54.840 0.101 0.000 0.818 387 L CB 0.282 42.417 42.059 0.127 0.000 1.102 387 L HN 0.267 nan 8.230 nan 0.000 0.473 388 V N -1.454 118.508 119.914 0.080 0.000 3.165 388 V HA 0.621 4.741 4.120 -0.000 0.000 0.307 388 V C 0.917 177.059 176.094 0.080 0.000 1.281 388 V CA -0.100 62.243 62.300 0.070 0.000 1.056 388 V CB 0.837 32.695 31.823 0.057 0.000 1.178 388 V HN 0.787 nan 8.190 nan 0.000 0.475 389 A N 0.498 123.359 122.820 0.069 0.000 1.892 389 A HA -0.181 4.139 4.320 -0.000 0.000 0.218 389 A C 2.168 179.814 177.584 0.103 0.000 1.188 389 A CA 3.504 55.581 52.037 0.067 0.000 0.631 389 A CB -1.700 17.326 19.000 0.043 0.000 0.822 389 A HN 1.572 nan 8.150 nan 0.000 0.447 390 T N -2.296 112.336 114.554 0.131 0.000 2.977 390 T HA -0.110 4.240 4.350 -0.000 0.000 0.271 390 T C 0.915 175.743 174.700 0.212 0.000 1.105 390 T CA 1.343 63.569 62.100 0.211 0.000 1.116 390 T CB -0.415 68.564 68.868 0.185 0.000 0.878 390 T HN 0.420 nan 8.240 nan 0.000 0.509 391 D N 0.698 121.189 120.400 0.151 0.000 2.352 391 D HA 0.100 4.740 4.640 -0.000 0.000 0.232 391 D C 1.580 177.983 176.300 0.172 0.000 1.055 391 D CA -0.014 54.069 54.000 0.138 0.000 0.891 391 D CB -0.146 40.719 40.800 0.108 0.000 0.897 391 D HN 0.375 nan 8.370 nan 0.000 0.529 392 I N 0.489 121.179 120.570 0.200 0.000 2.454 392 I HA -0.231 3.939 4.170 -0.000 0.000 0.254 392 I C 1.870 178.147 176.117 0.268 0.000 1.156 392 I CA 1.136 62.559 61.300 0.206 0.000 1.433 392 I CB -0.062 38.044 38.000 0.176 0.000 1.082 392 I HN -0.205 nan 8.210 nan 0.000 0.432 393 S N 1.938 117.836 115.700 0.330 0.000 2.335 393 S HA -0.037 4.433 4.470 -0.000 0.000 0.216 393 S C -0.360 174.515 174.600 0.459 0.000 1.032 393 S CA 1.731 60.172 58.200 0.402 0.000 1.000 393 S CB -1.520 61.919 63.200 0.398 0.000 0.928 393 S HN 0.441 nan 8.310 nan 0.000 0.434 394 P HA -0.057 nan 4.420 nan 0.000 0.216 394 P C 1.418 178.835 177.300 0.194 0.000 1.153 394 P CA 1.100 64.385 63.100 0.308 0.000 0.848 394 P CB -0.225 31.503 31.700 0.046 0.000 0.787 395 I N -0.105 120.539 120.570 0.124 0.000 2.163 395 I HA -0.224 3.946 4.170 -0.000 0.000 0.243 395 I C 2.361 178.540 176.117 0.103 0.000 1.085 395 I CA 1.929 63.273 61.300 0.073 0.000 1.347 395 I CB -1.227 36.876 38.000 0.172 0.000 1.044 395 I HN 0.007 nan 8.210 nan 0.000 0.408 396 T N 0.425 115.085 114.554 0.177 0.000 2.788 396 T HA -0.231 4.119 4.350 -0.000 0.000 0.268 396 T C 1.517 176.311 174.700 0.156 0.000 1.044 396 T CA 1.414 63.616 62.100 0.170 0.000 1.139 396 T CB -0.391 68.594 68.868 0.196 0.000 0.867 396 T HN 0.591 nan 8.240 nan 0.000 0.454 397 W N 2.590 123.892 121.300 0.004 0.000 2.355 397 W HA -0.143 4.517 4.660 -0.000 0.000 0.309 397 W C 1.985 178.432 176.519 -0.121 0.000 1.206 397 W CA 0.822 58.134 57.345 -0.056 0.000 1.284 397 W CB -0.336 29.112 29.460 -0.020 0.000 1.145 397 W HN 0.174 nan 8.180 nan 0.000 0.502 398 R N 0.566 120.682 120.500 -0.641 0.000 2.105 398 R HA -0.158 4.182 4.340 -0.000 0.000 0.239 398 R C 2.386 178.426 176.300 -0.433 0.000 1.135 398 R CA 1.953 57.412 56.100 -1.068 0.000 0.967 398 R CB -0.397 29.184 30.300 -1.199 0.000 0.861 398 R HN 0.195 nan 8.270 nan 0.000 0.442 399 K N 0.645 120.963 120.400 -0.136 0.000 2.025 399 K HA -0.141 4.179 4.320 -0.000 0.000 0.207 399 K C 2.182 178.772 176.600 -0.016 0.000 1.049 399 K CA 1.487 57.786 56.287 0.020 0.000 0.933 399 K CB -0.298 32.260 32.500 0.097 0.000 0.714 399 K HN 0.130 nan 8.250 nan 0.000 0.438 400 L N -0.751 120.465 121.223 -0.012 0.000 2.141 400 L HA 0.050 4.390 4.340 -0.000 0.000 0.209 400 L C 2.252 179.120 176.870 -0.004 0.000 1.094 400 L CA 1.737 56.639 54.840 0.103 0.000 0.763 400 L CB -0.805 41.354 42.059 0.166 0.000 0.908 400 L HN -0.035 nan 8.230 nan 0.000 0.437 401 A N -0.093 122.536 122.820 -0.318 0.000 1.933 401 A HA -0.123 4.196 4.320 -0.000 0.000 0.218 401 A C 2.414 179.823 177.584 -0.292 0.000 1.175 401 A CA 1.866 53.633 52.037 -0.450 0.000 0.628 401 A CB -0.989 17.566 19.000 -0.743 0.000 0.814 401 A HN 0.561 nan 8.150 nan 0.000 0.444 402 S N -0.550 115.087 115.700 -0.105 0.000 2.382 402 S HA -0.130 4.340 4.470 -0.000 0.000 0.228 402 S C 2.090 176.620 174.600 -0.117 0.000 1.027 402 S CA 1.371 59.563 58.200 -0.014 0.000 0.991 402 S CB -0.255 62.984 63.200 0.064 0.000 0.823 402 S HN 0.606 nan 8.310 nan 0.000 0.469 403 R N -0.631 119.769 120.500 -0.166 0.000 2.073 403 R HA -0.007 4.332 4.340 -0.000 0.000 0.229 403 R C 1.341 177.278 176.300 -0.604 0.000 1.120 403 R CA 1.231 57.100 56.100 -0.385 0.000 0.967 403 R CB -0.126 29.912 30.300 -0.437 0.000 0.862 403 R HN 0.458 nan 8.270 nan 0.000 0.436 404 W N 1.335 122.578 121.300 -0.096 0.000 3.220 404 W HA 0.117 4.777 4.660 -0.000 0.000 0.328 404 W C 0.055 176.524 176.519 -0.084 0.000 1.205 404 W CA -0.909 56.396 57.345 -0.067 0.000 1.773 404 W CB -0.144 29.299 29.460 -0.029 0.000 1.086 404 W HN 0.081 nan 8.180 nan 0.000 0.622 405 N N 0.778 119.410 118.700 -0.113 0.000 2.441 405 N HA 0.020 4.760 4.740 -0.000 0.000 0.251 405 N C 0.650 176.217 175.510 0.096 0.000 1.242 405 N CA -0.003 52.938 53.050 -0.182 0.000 0.898 405 N CB 0.567 38.422 38.487 -1.054 0.000 1.100 405 N HN 0.047 nan 8.380 nan 0.000 0.443 406 R N 0.747 121.416 120.500 0.281 0.000 2.335 406 R HA 0.255 4.595 4.340 -0.000 0.000 0.223 406 R C 0.058 176.442 176.300 0.141 0.000 0.940 406 R CA 0.065 56.228 56.100 0.104 0.000 1.086 406 R CB -0.358 29.853 30.300 -0.147 0.000 1.073 406 R HN 0.821 nan 8.270 nan 0.000 0.504 407 G N 0.719 109.636 108.800 0.196 0.000 2.329 407 G HA2 0.077 4.037 3.960 -0.000 0.000 0.308 407 G HA3 0.077 4.037 3.960 -0.000 0.000 0.308 407 G C -1.309 173.771 174.900 0.300 0.000 1.587 407 G CA -1.027 44.191 45.100 0.197 0.000 0.978 407 G HN 0.042 nan 8.290 nan 0.000 0.685 408 I N 1.707 122.418 120.570 0.235 0.000 2.339 408 I HA 0.546 4.715 4.170 -0.000 0.000 0.290 408 I C 1.032 177.222 176.117 0.123 0.000 0.994 408 I CA -0.742 60.698 61.300 0.233 0.000 1.191 408 I CB 1.753 39.867 38.000 0.191 0.000 1.343 408 I HN 0.848 nan 8.210 nan 0.000 0.458 409 A N 7.405 130.286 122.820 0.101 0.000 2.520 409 A HA 0.237 4.557 4.320 -0.000 0.000 0.245 409 A C 0.143 177.723 177.584 -0.008 0.000 1.072 409 A CA -0.023 52.041 52.037 0.045 0.000 0.761 409 A CB 0.081 19.116 19.000 0.058 0.000 1.004 409 A HN 0.700 nan 8.150 nan 0.000 0.499 410 K N 2.462 122.799 120.400 -0.104 0.000 2.126 410 K HA 0.371 4.691 4.320 -0.000 0.000 0.257 410 K C -2.497 173.773 176.600 -0.551 0.000 1.007 410 K CA -1.502 54.654 56.287 -0.218 0.000 0.928 410 K CB 0.227 32.631 32.500 -0.160 0.000 1.013 410 K HN 0.432 nan 8.250 nan 0.000 0.473 411 P HA -0.050 nan 4.420 nan 0.000 0.267 411 P C -0.266 176.364 177.300 -1.116 0.000 1.200 411 P CA -0.044 62.110 63.100 -1.576 0.000 0.772 411 P CB 0.411 31.658 31.700 -0.756 0.000 0.855 412 G N 2.741 110.676 108.800 -1.443 0.000 2.491 412 G HA2 0.314 4.273 3.960 -0.000 0.000 0.242 412 G HA3 0.314 4.273 3.960 -0.000 0.000 0.242 412 G C -0.422 174.296 174.900 -0.304 0.000 1.266 412 G CA -0.315 44.435 45.100 -0.582 0.000 0.844 412 G HN 0.311 nan 8.290 nan 0.000 0.571 413 R N 0.711 121.106 120.500 -0.174 0.000 2.538 413 R HA 0.485 4.825 4.340 -0.000 0.000 0.292 413 R C 0.550 176.817 176.300 -0.055 0.000 1.008 413 R CA -0.413 55.629 56.100 -0.098 0.000 0.896 413 R CB 1.294 31.536 30.300 -0.097 0.000 1.187 413 R HN 1.383 nan 8.270 nan 0.000 0.440 414 G N 0.852 109.637 108.800 -0.026 0.000 2.179 414 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.257 414 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.257 414 G C 0.042 174.939 174.900 -0.004 0.000 1.010 414 G CA 0.701 45.793 45.100 -0.013 0.000 0.736 414 G HN 0.654 nan 8.290 nan 0.000 0.513 415 V N -4.038 115.879 119.914 0.004 0.000 3.141 415 V HA 0.965 5.085 4.120 -0.000 0.000 0.312 415 V C 0.579 176.701 176.094 0.046 0.000 1.157 415 V CA -0.834 61.478 62.300 0.019 0.000 1.041 415 V CB 1.453 33.281 31.823 0.008 0.000 1.071 415 V HN 1.813 nan 8.190 nan 0.000 0.441 416 A N 0.810 123.661 122.820 0.052 0.000 2.546 416 A HA 0.551 4.871 4.320 -0.000 0.000 0.243 416 A C 1.519 179.165 177.584 0.103 0.000 1.063 416 A CA 0.841 52.916 52.037 0.063 0.000 0.757 416 A CB -0.673 18.355 19.000 0.048 0.000 0.991 416 A HN 2.880 nan 8.150 nan 0.000 0.503 417 G N 0.767 109.635 108.800 0.113 0.000 2.213 417 G HA2 -0.022 3.938 3.960 -0.000 0.000 0.236 417 G HA3 -0.022 3.938 3.960 -0.000 0.000 0.236 417 G C 1.194 176.267 174.900 0.288 0.000 0.991 417 G CA 0.989 46.197 45.100 0.180 0.000 0.629 417 G HN 1.934 nan 8.290 nan 0.000 0.517 418 A N -0.679 122.259 122.820 0.198 0.000 1.969 418 A HA 0.533 4.853 4.320 -0.000 0.000 0.218 418 A C 1.155 178.835 177.584 0.160 0.000 1.169 418 A CA 1.958 54.091 52.037 0.160 0.000 0.635 418 A CB 0.142 19.172 19.000 0.050 0.000 0.810 418 A HN 1.155 nan 8.150 nan 0.000 0.445 419 V N 0.148 120.137 119.914 0.125 0.000 2.531 419 V HA 0.208 4.328 4.120 -0.000 0.000 0.301 419 V C 0.351 176.495 176.094 0.083 0.000 1.034 419 V CA -0.684 61.679 62.300 0.104 0.000 0.865 419 V CB 1.757 33.629 31.823 0.080 0.000 0.995 419 V HN 0.424 nan 8.190 nan 0.000 0.424 420 K N 1.750 122.195 120.400 0.075 0.000 2.361 420 K HA 0.040 4.360 4.320 -0.000 0.000 0.196 420 K C 0.227 176.798 176.600 -0.050 0.000 1.039 420 K CA 0.765 57.061 56.287 0.015 0.000 1.001 420 K CB 0.225 32.733 32.500 0.014 0.000 0.795 420 K HN 0.850 nan 8.250 nan 0.000 0.495 421 D N 1.076 121.485 120.400 0.016 0.000 2.892 421 D HA -0.020 4.620 4.640 -0.000 0.000 0.291 421 D C 0.031 176.440 176.300 0.181 0.000 1.341 421 D CA -0.413 53.614 54.000 0.046 0.000 0.844 421 D CB -0.197 40.742 40.800 0.233 0.000 1.093 421 D HN -0.063 nan 8.370 nan 0.000 0.480 422 T N -2.808 111.794 114.554 0.079 0.000 2.860 422 T HA 0.200 4.550 4.350 -0.000 0.000 0.299 422 T C 1.580 176.414 174.700 0.223 0.000 1.045 422 T CA 0.001 62.180 62.100 0.132 0.000 1.071 422 T CB 1.556 70.467 68.868 0.073 0.000 0.985 422 T HN 0.087 nan 8.240 nan 0.000 0.537 423 S N 1.708 117.537 115.700 0.215 0.000 2.419 423 S HA -0.075 4.395 4.470 -0.000 0.000 0.233 423 S C 1.951 176.655 174.600 0.172 0.000 1.016 423 S CA 0.496 58.836 58.200 0.233 0.000 0.974 423 S CB -0.844 62.435 63.200 0.131 0.000 0.786 423 S HN 0.660 nan 8.310 nan 0.000 0.492 424 L N 0.456 121.743 121.223 0.107 0.000 2.056 424 L HA 0.046 4.386 4.340 -0.000 0.000 0.207 424 L C 2.561 179.455 176.870 0.039 0.000 1.078 424 L CA 1.244 56.124 54.840 0.066 0.000 0.749 424 L CB -0.431 41.658 42.059 0.049 0.000 0.901 424 L HN 0.323 nan 8.230 nan 0.000 0.433 425 I N -1.216 119.351 120.570 -0.005 0.000 2.252 425 I HA -0.291 3.879 4.170 -0.000 0.000 0.245 425 I C 2.227 178.251 176.117 -0.154 0.000 1.102 425 I CA 1.411 62.643 61.300 -0.113 0.000 1.385 425 I CB -0.183 37.690 38.000 -0.211 0.000 1.064 425 I HN 0.092 nan 8.210 nan 0.000 0.414 426 F N 1.054 121.013 119.950 0.014 0.000 2.234 426 F HA -0.202 4.324 4.527 -0.000 0.000 0.299 426 F C 2.585 178.388 175.800 0.006 0.000 1.087 426 F CA 1.338 59.343 58.000 0.008 0.000 1.340 426 F CB -0.273 38.732 39.000 0.009 0.000 1.031 426 F HN -0.050 nan 8.300 nan 0.000 0.500 427 K N 0.641 121.143 120.400 0.170 0.000 2.002 427 K HA -0.234 4.086 4.320 -0.000 0.000 0.209 427 K C 1.940 178.574 176.600 0.057 0.000 1.048 427 K CA 1.798 58.145 56.287 0.098 0.000 0.930 427 K CB -0.270 32.273 32.500 0.072 0.000 0.714 427 K HN 0.313 nan 8.250 nan 0.000 0.438 428 Q N -0.183 119.636 119.800 0.033 0.000 2.084 428 Q HA -0.124 4.216 4.340 -0.000 0.000 0.202 428 Q C 2.071 178.075 176.000 0.007 0.000 0.978 428 Q CA 2.194 58.004 55.803 0.011 0.000 0.844 428 Q CB -0.148 28.589 28.738 -0.003 0.000 0.898 428 Q HN 0.394 nan 8.270 nan 0.000 0.426 429 T N 0.907 115.460 114.554 -0.001 0.000 2.746 429 T HA -0.142 4.208 4.350 -0.000 0.000 0.267 429 T C 1.946 176.662 174.700 0.028 0.000 1.039 429 T CA 1.197 63.294 62.100 -0.005 0.000 1.142 429 T CB -0.302 68.546 68.868 -0.033 0.000 0.866 429 T HN 0.404 nan 8.240 nan 0.000 0.444 430 A N 1.923 124.779 122.820 0.061 0.000 1.972 430 A HA -0.128 4.192 4.320 -0.000 0.000 0.219 430 A C 1.900 179.502 177.584 0.029 0.000 1.169 430 A CA 1.532 53.602 52.037 0.055 0.000 0.635 430 A CB -0.524 18.516 19.000 0.068 0.000 0.810 430 A HN 0.322 nan 8.150 nan 0.000 0.446 431 D N -1.247 119.166 120.400 0.023 0.000 2.378 431 D HA 0.237 4.877 4.640 -0.000 0.000 0.227 431 D C 1.383 177.685 176.300 0.005 0.000 1.012 431 D CA 1.192 55.199 54.000 0.012 0.000 0.905 431 D CB -0.069 40.737 40.800 0.010 0.000 0.895 431 D HN 0.630 nan 8.370 nan 0.000 0.532 432 G N 0.602 109.403 108.800 0.002 0.000 2.157 432 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.239 432 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.239 432 G C 0.163 175.057 174.900 -0.009 0.000 0.982 432 G CA -0.297 44.799 45.100 -0.006 0.000 0.650 432 G HN 0.327 nan 8.290 nan 0.000 0.527 433 K N 1.187 121.584 120.400 -0.005 0.000 2.248 433 K HA 0.495 4.815 4.320 -0.000 0.000 0.281 433 K C 0.907 177.505 176.600 -0.003 0.000 1.054 433 K CA -0.565 55.723 56.287 0.001 0.000 0.903 433 K CB 1.067 33.570 32.500 0.006 0.000 1.077 433 K HN 0.300 nan 8.250 nan 0.000 0.474 434 R N 2.356 122.862 120.500 0.011 0.000 2.649 434 R HA 0.190 4.529 4.340 -0.000 0.000 0.270 434 R C -2.087 174.275 176.300 0.105 0.000 1.105 434 R CA -1.640 54.469 56.100 0.015 0.000 1.193 434 R CB -0.251 30.062 30.300 0.021 0.000 1.120 434 R HN 0.377 nan 8.270 nan 0.000 0.561 435 P HA 0.059 nan 4.420 nan 0.000 0.267 435 P C -0.449 176.972 177.300 0.200 0.000 1.200 435 P CA 0.175 63.382 63.100 0.178 0.000 0.772 435 P CB 0.844 32.684 31.700 0.233 0.000 0.855 436 G N 0.000 108.864 108.800 0.106 0.000 3.183 436 G HA2 0.356 4.316 3.960 -0.000 0.000 0.247 436 G HA3 0.356 4.316 3.960 -0.000 0.000 0.247 436 G C -1.170 173.807 174.900 0.128 0.000 1.211 436 G CA -0.052 45.106 45.100 0.097 0.000 0.835 436 G HN 0.459 nan 8.290 nan 0.000 0.604 437 Y N -0.314 119.970 120.300 -0.027 0.000 3.087 437 Y HA 0.454 5.004 4.550 -0.000 0.000 0.227 437 Y C 0.630 176.521 175.900 -0.016 0.000 1.015 437 Y CA 0.209 58.290 58.100 -0.032 0.000 1.399 437 Y CB 0.283 38.720 38.460 -0.038 0.000 1.483 437 Y HN 0.241 nan 8.280 nan 0.000 0.420 438 K N 2.198 122.526 120.400 -0.120 0.000 2.297 438 K HA 0.399 4.719 4.320 -0.000 0.000 0.286 438 K C -0.692 175.842 176.600 -0.110 0.000 1.053 438 K CA -0.419 55.744 56.287 -0.207 0.000 0.940 438 K CB 1.742 34.204 32.500 -0.063 0.000 1.019 438 K HN -0.033 nan 8.250 nan 0.000 0.475 439 V N 3.423 123.260 119.914 -0.127 0.000 2.529 439 V HA -0.048 4.072 4.120 -0.000 0.000 0.292 439 V C 0.690 176.751 176.094 -0.055 0.000 1.028 439 V CA 0.059 62.315 62.300 -0.073 0.000 1.074 439 V CB 0.552 32.337 31.823 -0.064 0.000 0.958 439 V HN 0.745 nan 8.190 nan 0.000 0.481 440 E N 4.557 124.732 120.200 -0.043 0.000 2.316 440 E HA 0.195 4.545 4.350 -0.000 0.000 0.275 440 E C -0.145 176.415 176.600 -0.067 0.000 1.029 440 E CA -0.321 56.052 56.400 -0.045 0.000 0.871 440 E CB 0.699 30.379 29.700 -0.034 0.000 1.022 440 E HN 0.711 nan 8.360 nan 0.000 0.418 441 Q N 2.850 122.602 119.800 -0.078 0.000 2.199 441 Q HA 0.533 4.872 4.340 -0.000 0.000 0.205 441 Q C 0.158 176.071 176.000 -0.146 0.000 1.001 441 Q CA -0.786 54.946 55.803 -0.119 0.000 1.019 441 Q CB 1.104 29.777 28.738 -0.107 0.000 1.132 441 Q HN 0.598 nan 8.270 nan 0.000 0.530 442 I N 0.000 120.445 120.570 -0.208 0.000 2.984 442 I HA 0.000 4.170 4.170 -0.000 0.000 0.288 442 I CA 0.000 61.170 61.300 -0.217 0.000 1.566 442 I CB 0.000 37.918 38.000 -0.137 0.000 1.214 442 I HN 0.000 nan 8.210 nan 0.000 0.494