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_B 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 0.000 176.135 176.117 0.030 0.000 1.063 16 I CA 0.000 61.320 61.300 0.034 0.000 1.566 16 I CB 0.000 38.023 38.000 0.039 0.000 1.214 17 S N 2.901 118.620 115.700 0.030 0.000 2.580 17 S HA 0.217 4.687 4.470 0.001 0.000 0.274 17 S C 0.642 175.261 174.600 0.031 0.000 1.329 17 S CA -0.196 58.020 58.200 0.027 0.000 1.036 17 S CB 0.859 64.074 63.200 0.025 0.000 0.919 17 S HN 0.553 nan 8.310 nan 0.000 0.515 18 D N 3.138 123.554 120.400 0.026 0.000 2.363 18 D HA 0.155 4.796 4.640 0.001 0.000 0.226 18 D C 1.400 177.718 176.300 0.029 0.000 1.020 18 D CA 0.620 54.636 54.000 0.027 0.000 0.892 18 D CB -0.104 40.709 40.800 0.021 0.000 0.900 18 D HN 0.537 nan 8.370 nan 0.000 0.531 19 A N 0.802 123.640 122.820 0.030 0.000 2.275 19 A HA 0.021 4.342 4.320 0.001 0.000 0.212 19 A C 1.052 178.660 177.584 0.040 0.000 1.201 19 A CA -0.299 51.757 52.037 0.031 0.000 0.843 19 A CB -0.282 18.734 19.000 0.026 0.000 0.873 19 A HN 0.204 nan 8.150 nan 0.000 0.492 20 R N -1.032 119.496 120.500 0.046 0.000 2.594 20 R HA 0.544 4.885 4.340 0.001 0.000 0.272 20 R C 0.901 177.242 176.300 0.068 0.000 1.074 20 R CA 0.319 56.455 56.100 0.060 0.000 1.105 20 R CB 0.587 30.928 30.300 0.068 0.000 1.008 20 R HN -0.025 nan 8.270 nan 0.000 0.472 21 A N 3.119 125.988 122.820 0.080 0.000 1.969 21 A HA -0.211 4.110 4.320 0.001 0.000 0.218 21 A C 0.924 178.574 177.584 0.110 0.000 1.169 21 A CA 1.351 53.442 52.037 0.090 0.000 0.635 21 A CB -0.917 18.142 19.000 0.099 0.000 0.810 21 A HN 0.975 nan 8.150 nan 0.000 0.445 22 N N 1.347 120.127 118.700 0.133 0.000 3.178 22 N HA 0.069 4.810 4.740 0.001 0.000 0.300 22 N C -0.127 175.448 175.510 0.108 0.000 1.242 22 N CA -0.195 52.954 53.050 0.165 0.000 1.192 22 N CB -0.350 38.284 38.487 0.243 0.000 1.463 22 N HN 0.696 nan 8.380 nan 0.000 0.539 23 N N 0.162 118.905 118.700 0.073 0.000 2.347 23 N HA 0.099 4.840 4.740 0.001 0.000 0.253 23 N C 1.036 176.555 175.510 0.015 0.000 1.274 23 N CA -0.486 52.590 53.050 0.043 0.000 0.941 23 N CB 0.672 39.180 38.487 0.034 0.000 1.200 23 N HN 0.238 nan 8.380 nan 0.000 0.514 24 A N 0.515 123.337 122.820 0.004 0.000 1.892 24 A HA -0.252 4.068 4.320 0.001 0.000 0.218 24 A C 2.197 179.753 177.584 -0.047 0.000 1.188 24 A CA 1.520 53.545 52.037 -0.020 0.000 0.631 24 A CB -0.766 18.227 19.000 -0.010 0.000 0.822 24 A HN 0.778 nan 8.150 nan 0.000 0.447 25 K N -0.603 119.779 120.400 -0.030 0.000 2.026 25 K HA -0.132 4.189 4.320 0.001 0.000 0.208 25 K C 2.054 178.616 176.600 -0.063 0.000 1.048 25 K CA 2.171 58.436 56.287 -0.037 0.000 0.929 25 K CB -0.876 31.617 32.500 -0.012 0.000 0.713 25 K HN 0.491 nan 8.250 nan 0.000 0.439 26 T N 1.953 116.480 114.554 -0.045 0.000 2.708 26 T HA -0.135 4.216 4.350 0.001 0.000 0.266 26 T C 1.956 176.485 174.700 -0.285 0.000 1.037 26 T CA 1.446 63.517 62.100 -0.047 0.000 1.146 26 T CB -0.137 68.769 68.868 0.064 0.000 0.865 26 T HN 0.401 nan 8.240 nan 0.000 0.435 27 Q N 1.147 120.739 119.800 -0.348 0.000 2.181 27 Q HA -0.102 4.239 4.340 0.001 0.000 0.205 27 Q C 2.652 178.258 176.000 -0.657 0.000 0.980 27 Q CA 1.624 56.985 55.803 -0.736 0.000 0.862 27 Q CB -0.371 28.212 28.738 -0.259 0.000 0.905 27 Q HN 0.664 nan 8.270 nan 0.000 0.429 28 S N 0.235 115.742 115.700 -0.322 0.000 2.474 28 S HA -0.136 4.335 4.470 0.001 0.000 0.235 28 S C 1.620 176.107 174.600 -0.188 0.000 0.997 28 S CA 0.710 58.789 58.200 -0.200 0.000 0.949 28 S CB -0.041 63.093 63.200 -0.110 0.000 0.766 28 S HN 0.354 nan 8.310 nan 0.000 0.517 29 Q N 0.148 119.804 119.800 -0.240 0.000 2.451 29 Q HA 0.076 4.416 4.340 0.001 0.000 0.206 29 Q C -0.142 175.852 176.000 -0.009 0.000 0.947 29 Q CA 0.516 56.258 55.803 -0.103 0.000 0.937 29 Q CB 0.012 28.730 28.738 -0.032 0.000 1.025 29 Q HN 1.051 nan 8.270 nan 0.000 0.511 30 Y N -2.756 117.544 120.300 -0.000 0.000 2.629 30 Y HA 0.423 4.973 4.550 0.001 0.000 0.282 30 Y C 1.069 176.988 175.900 0.032 0.000 0.994 30 Y CA -0.789 57.309 58.100 -0.005 0.000 1.126 30 Y CB -0.394 38.028 38.460 -0.064 0.000 1.187 30 Y HN -0.180 nan 8.280 nan 0.000 0.600 31 Q N 2.308 122.159 119.800 0.084 0.000 2.079 31 Q HA 0.074 4.414 4.340 0.001 0.000 0.200 31 Q C -1.015 175.035 176.000 0.084 0.000 0.974 31 Q CA 1.628 57.465 55.803 0.056 0.000 0.840 31 Q CB -0.907 27.830 28.738 -0.002 0.000 0.898 31 Q HN 0.369 nan 8.270 nan 0.000 0.430 32 P HA -0.147 nan 4.420 nan 0.000 0.218 32 P C 0.537 177.964 177.300 0.212 0.000 1.148 32 P CA 1.059 64.246 63.100 0.145 0.000 0.822 32 P CB -0.223 31.563 31.700 0.143 0.000 0.784 33 Y N 1.093 121.448 120.300 0.091 0.000 2.200 33 Y HA -0.162 4.388 4.550 0.001 0.000 0.290 33 Y C 1.968 177.705 175.900 -0.273 0.000 1.137 33 Y CA 1.671 59.782 58.100 0.017 0.000 1.163 33 Y CB -0.316 38.117 38.460 -0.046 0.000 0.988 33 Y HN -0.194 nan 8.280 nan 0.000 0.518 34 K N -0.266 120.045 120.400 -0.147 0.000 2.147 34 K HA -0.160 4.160 4.320 0.001 0.000 0.205 34 K C 0.991 177.338 176.600 -0.421 0.000 1.049 34 K CA 1.469 57.438 56.287 -0.530 0.000 0.936 34 K CB -0.103 32.239 32.500 -0.264 0.000 0.722 34 K HN 0.356 nan 8.250 nan 0.000 0.446 35 D N 0.055 120.340 120.400 -0.192 0.000 2.340 35 D HA 0.001 4.642 4.640 0.001 0.000 0.220 35 D C 0.413 176.663 176.300 -0.084 0.000 1.039 35 D CA 0.334 54.272 54.000 -0.103 0.000 0.866 35 D CB 0.386 41.178 40.800 -0.014 0.000 0.913 35 D HN 0.103 nan 8.370 nan 0.000 0.523 36 A N 0.366 123.069 122.820 -0.194 0.000 2.988 36 A HA 0.545 4.865 4.320 0.001 0.000 0.288 36 A C 1.798 179.322 177.584 -0.099 0.000 1.385 36 A CA 0.121 52.044 52.037 -0.191 0.000 1.001 36 A CB -0.202 18.483 19.000 -0.526 0.000 1.071 36 A HN 0.082 nan 8.150 nan 0.000 0.608 37 A N -0.416 122.373 122.820 -0.052 0.000 1.940 37 A HA -0.147 4.174 4.320 0.001 0.000 0.219 37 A C 1.499 179.139 177.584 0.094 0.000 1.176 37 A CA 1.267 53.289 52.037 -0.025 0.000 0.631 37 A CB -0.620 18.347 19.000 -0.055 0.000 0.814 37 A HN 0.797 nan 8.150 nan 0.000 0.446 38 W N -0.683 120.653 121.300 0.060 0.000 3.180 38 W HA 0.401 5.061 4.660 0.001 0.000 0.254 38 W C 1.271 177.731 176.519 -0.099 0.000 1.318 38 W CA 1.203 58.561 57.345 0.022 0.000 1.608 38 W CB -0.230 29.225 29.460 -0.009 0.000 1.124 38 W HN 0.693 nan 8.180 nan 0.000 0.694 39 G N -0.433 108.388 108.800 0.034 0.000 2.541 39 G HA2 -0.168 3.793 3.960 0.001 0.000 0.686 39 G HA3 -0.168 3.793 3.960 0.001 0.000 0.686 39 G C -1.074 173.646 174.900 -0.299 0.000 1.286 39 G CA -1.379 43.466 45.100 -0.424 0.000 0.894 39 G HN -0.059 nan 8.290 nan 0.000 0.575 40 F N 0.151 120.037 119.950 -0.107 0.000 2.405 40 F HA 0.627 5.154 4.527 0.001 0.000 0.355 40 F C 1.128 176.998 175.800 0.118 0.000 1.121 40 F CA -0.672 57.349 58.000 0.035 0.000 1.112 40 F CB 1.410 40.374 39.000 -0.060 0.000 1.126 40 F HN 0.564 nan 8.300 nan 0.000 0.481 41 I N 3.404 124.151 120.570 0.295 0.000 2.918 41 I HA 0.299 4.470 4.170 0.001 0.000 0.316 41 I C -0.032 176.090 176.117 0.008 0.000 1.001 41 I CA -0.378 60.991 61.300 0.116 0.000 1.142 41 I CB 0.943 38.959 38.000 0.026 0.000 1.356 41 I HN 0.814 nan 8.210 nan 0.000 0.524 42 N N 2.085 120.549 118.700 -0.393 0.000 2.814 42 N HA -0.190 4.551 4.740 0.001 0.000 0.247 42 N C -1.343 173.569 175.510 -0.996 0.000 1.089 42 N CA 0.251 52.741 53.050 -0.933 0.000 0.682 42 N CB -1.316 36.783 38.487 -0.648 0.000 0.970 42 N HN 0.564 nan 8.380 nan 0.000 0.554 43 H N -1.788 116.738 119.070 -0.907 0.000 2.980 43 H HA 0.456 5.013 4.556 0.001 0.000 0.367 43 H C -0.972 174.028 175.328 -0.548 0.000 1.206 43 H CA -0.449 55.311 56.048 -0.480 0.000 1.126 43 H CB 0.759 30.324 29.762 -0.328 0.000 1.838 43 H HN 0.150 nan 8.280 nan 0.000 0.552 44 W N 1.823 123.109 121.300 -0.023 0.000 2.315 44 W HA 0.423 5.083 4.660 0.001 0.000 0.316 44 W C -0.866 175.520 176.519 -0.222 0.000 1.211 44 W CA 0.045 57.410 57.345 0.033 0.000 1.201 44 W CB 0.489 29.987 29.460 0.063 0.000 1.184 44 W HN 0.382 nan 8.180 nan 0.000 0.544 45 Y N 2.994 123.442 120.300 0.247 0.000 2.524 45 Y HA 0.363 4.914 4.550 0.001 0.000 0.347 45 Y C -1.992 173.720 175.900 -0.313 0.000 1.005 45 Y CA -2.961 55.111 58.100 -0.045 0.000 1.025 45 Y CB 1.985 40.349 38.460 -0.160 0.000 1.275 45 Y HN 0.136 nan 8.280 nan 0.000 0.460 46 P HA 0.173 nan 4.420 nan 0.000 0.276 46 P C -0.482 176.195 177.300 -1.039 0.000 1.235 46 P CA 0.271 62.348 63.100 -1.705 0.000 0.772 46 P CB 1.909 31.732 31.700 -3.128 0.000 0.871 47 A N 4.812 127.264 122.820 -0.613 0.000 1.938 47 A HA 0.337 4.657 4.320 0.001 0.000 0.207 47 A C 0.777 178.400 177.584 0.065 0.000 1.292 47 A CA 0.898 52.849 52.037 -0.144 0.000 0.700 47 A CB -0.078 18.867 19.000 -0.091 0.000 0.947 47 A HN 0.533 nan 8.150 nan 0.000 0.476 48 L N -2.283 118.922 121.223 -0.031 0.000 2.568 48 L HA 0.468 4.808 4.340 0.001 0.000 0.257 48 L C -1.312 175.541 176.870 -0.028 0.000 1.024 48 L CA -0.875 54.004 54.840 0.064 0.000 0.854 48 L CB 1.926 44.010 42.059 0.042 0.000 1.460 48 L HN 0.290 nan 8.230 nan 0.000 0.409 49 F N -0.288 119.679 119.950 0.028 0.000 2.382 49 F HA 0.157 4.685 4.527 0.001 0.000 0.331 49 F C 1.693 177.351 175.800 -0.237 0.000 1.121 49 F CA -0.017 57.885 58.000 -0.165 0.000 1.183 49 F CB 1.492 40.190 39.000 -0.505 0.000 1.207 49 F HN 0.530 nan 8.300 nan 0.000 0.555 50 T N -0.077 114.525 114.554 0.079 0.000 2.699 50 T HA -0.284 4.067 4.350 0.001 0.000 0.268 50 T C 1.695 176.428 174.700 0.055 0.000 1.036 50 T CA 2.200 64.335 62.100 0.058 0.000 1.147 50 T CB -0.635 68.290 68.868 0.094 0.000 0.862 50 T HN 0.698 nan 8.240 nan 0.000 0.446 51 H N 0.958 120.112 119.070 0.139 0.000 2.543 51 H HA 0.132 4.689 4.556 0.001 0.000 0.286 51 H C 1.614 177.000 175.328 0.097 0.000 1.037 51 H CA 1.031 57.132 56.048 0.089 0.000 1.250 51 H CB -0.479 29.308 29.762 0.041 0.000 1.373 51 H HN 0.419 nan 8.280 nan 0.000 0.580 52 E N -0.238 119.955 120.200 -0.011 0.000 2.474 52 E HA 0.135 4.486 4.350 0.001 0.000 0.194 52 E C -0.468 176.175 176.600 0.071 0.000 1.041 52 E CA -0.032 56.416 56.400 0.080 0.000 0.874 52 E CB 0.473 30.206 29.700 0.055 0.000 0.914 52 E HN 0.281 nan 8.360 nan 0.000 0.498 53 L N 1.636 122.897 121.223 0.063 0.000 2.492 53 L HA 0.240 4.581 4.340 0.001 0.000 0.258 53 L C -0.720 176.189 176.870 0.065 0.000 1.028 53 L CA -0.205 54.670 54.840 0.058 0.000 0.900 53 L CB 1.129 43.217 42.059 0.048 0.000 1.191 53 L HN -0.181 nan 8.230 nan 0.000 0.459 54 E N 1.055 121.294 120.200 0.066 0.000 2.322 54 E HA 0.217 4.568 4.350 0.001 0.000 0.257 54 E C -0.555 176.081 176.600 0.059 0.000 1.155 54 E CA -0.808 55.630 56.400 0.064 0.000 0.936 54 E CB 0.777 30.513 29.700 0.060 0.000 1.130 54 E HN 0.434 nan 8.360 nan 0.000 0.465 55 E N 1.124 121.358 120.200 0.057 0.000 2.558 55 E HA -0.148 4.203 4.350 0.001 0.000 0.255 55 E C -0.677 175.954 176.600 0.053 0.000 0.968 55 E CA 0.584 57.019 56.400 0.058 0.000 0.939 55 E CB -0.058 29.674 29.700 0.052 0.000 0.921 55 E HN 0.445 nan 8.360 nan 0.000 0.477 56 D N 1.691 122.127 120.400 0.060 0.000 3.046 56 D HA -0.229 4.411 4.640 0.001 0.000 0.210 56 D C -0.568 175.756 176.300 0.040 0.000 1.124 56 D CA 1.236 55.265 54.000 0.048 0.000 0.986 56 D CB -0.956 39.865 40.800 0.036 0.000 1.118 56 D HN 0.700 nan 8.370 nan 0.000 0.416 57 Q N 0.106 119.933 119.800 0.046 0.000 2.259 57 Q HA 0.477 4.818 4.340 0.001 0.000 0.249 57 Q C -0.745 175.280 176.000 0.041 0.000 0.914 57 Q CA -0.411 55.415 55.803 0.037 0.000 0.904 57 Q CB 1.375 30.137 28.738 0.041 0.000 1.213 57 Q HN 0.019 nan 8.270 nan 0.000 0.428 58 V N 3.528 123.458 119.914 0.027 0.000 2.487 58 V HA 0.366 4.487 4.120 0.001 0.000 0.298 58 V C -0.870 175.232 176.094 0.013 0.000 1.028 58 V CA -0.632 61.685 62.300 0.028 0.000 0.860 58 V CB 1.692 33.530 31.823 0.025 0.000 0.991 58 V HN 0.794 nan 8.190 nan 0.000 0.427 59 Q N 2.660 122.465 119.800 0.009 0.000 2.331 59 Q HA 0.720 5.060 4.340 0.001 0.000 0.272 59 Q C -0.415 175.558 176.000 -0.045 0.000 1.062 59 Q CA -0.150 55.641 55.803 -0.020 0.000 0.806 59 Q CB 2.267 30.993 28.738 -0.019 0.000 1.312 59 Q HN 0.899 nan 8.270 nan 0.000 0.431 60 G N 3.464 112.220 108.800 -0.074 0.000 2.371 60 G HA2 0.724 4.684 3.960 0.001 0.000 0.326 60 G HA3 0.724 4.684 3.960 0.001 0.000 0.326 60 G C -0.626 174.146 174.900 -0.214 0.000 1.127 60 G CA -0.489 44.550 45.100 -0.102 0.000 0.885 60 G HN 0.783 nan 8.290 nan 0.000 0.477 61 I N -1.948 118.462 120.570 -0.267 0.000 3.458 61 I HA 0.772 4.942 4.170 0.001 0.000 0.316 61 I C -1.358 174.578 176.117 -0.302 0.000 1.202 61 I CA -1.343 59.662 61.300 -0.493 0.000 0.929 61 I CB 2.490 40.088 38.000 -0.671 0.000 1.340 61 I HN 0.469 nan 8.210 nan 0.000 0.481 62 Q N 1.595 121.240 119.800 -0.259 0.000 2.268 62 Q HA 0.682 5.023 4.340 0.001 0.000 0.266 62 Q C -2.146 173.863 176.000 0.016 0.000 1.006 62 Q CA -0.554 55.200 55.803 -0.082 0.000 0.824 62 Q CB 2.809 31.536 28.738 -0.019 0.000 1.306 62 Q HN 0.710 nan 8.270 nan 0.000 0.424 63 I N 2.411 122.927 120.570 -0.091 0.000 2.569 63 I HA 0.295 4.465 4.170 0.001 0.000 0.290 63 I C -0.116 175.871 176.117 -0.217 0.000 1.088 63 I CA -0.896 60.293 61.300 -0.185 0.000 1.047 63 I CB 2.093 39.911 38.000 -0.303 0.000 1.237 63 I HN 0.890 nan 8.210 nan 0.000 0.421 64 C N 4.923 124.090 119.300 -0.221 0.000 4.356 64 C HA -0.158 4.302 4.460 0.001 0.000 0.296 64 C C 1.610 176.657 174.990 0.095 0.000 1.424 64 C CA 0.751 59.706 59.018 -0.105 0.000 2.000 64 C CB -2.471 25.155 27.740 -0.190 0.000 1.262 64 C HN 1.361 nan 8.230 nan 0.000 0.789 65 G N -1.863 107.051 108.800 0.191 0.000 2.184 65 G HA2 -0.222 3.739 3.960 0.001 0.000 0.264 65 G HA3 -0.222 3.739 3.960 0.001 0.000 0.264 65 G C -0.005 174.930 174.900 0.058 0.000 0.975 65 G CA 0.342 45.612 45.100 0.284 0.000 0.642 65 G HN 1.374 nan 8.290 nan 0.000 0.536 66 V N 2.447 122.342 119.914 -0.032 0.000 2.406 66 V HA 0.455 4.575 4.120 0.001 0.000 0.272 66 V C -1.752 174.272 176.094 -0.117 0.000 1.043 66 V CA -1.538 60.707 62.300 -0.091 0.000 0.915 66 V CB 1.488 33.208 31.823 -0.171 0.000 0.988 66 V HN 0.135 nan 8.190 nan 0.000 0.466 67 P HA 0.460 nan 4.420 nan 0.000 0.282 67 P C -0.716 176.518 177.300 -0.110 0.000 1.262 67 P CA -0.002 63.052 63.100 -0.077 0.000 0.773 67 P CB 0.641 32.322 31.700 -0.031 0.000 0.879 68 I N 2.650 123.133 120.570 -0.145 0.000 2.608 68 I HA 0.467 4.638 4.170 0.001 0.000 0.295 68 I C -0.507 175.565 176.117 -0.074 0.000 1.049 68 I CA -1.179 60.035 61.300 -0.142 0.000 1.063 68 I CB 2.645 40.477 38.000 -0.279 0.000 1.248 68 I HN 0.057 nan 8.210 nan 0.000 0.424 69 V N 7.170 127.082 119.914 -0.003 0.000 2.540 69 V HA 0.616 4.737 4.120 0.001 0.000 0.302 69 V C -1.167 174.960 176.094 0.055 0.000 1.035 69 V CA -0.367 61.942 62.300 0.015 0.000 0.873 69 V CB 1.892 33.737 31.823 0.037 0.000 0.992 69 V HN 0.507 nan 8.190 nan 0.000 0.428 70 L N 6.644 127.894 121.223 0.046 0.000 2.342 70 L HA 0.756 5.097 4.340 0.001 0.000 0.271 70 L C -0.131 176.796 176.870 0.095 0.000 1.008 70 L CA -0.357 54.533 54.840 0.084 0.000 0.818 70 L CB 1.819 43.912 42.059 0.056 0.000 1.296 70 L HN 0.688 nan 8.230 nan 0.000 0.427 71 R N 1.571 122.160 120.500 0.148 0.000 2.604 71 R HA 0.534 4.874 4.340 0.001 0.000 0.281 71 R C -1.266 175.157 176.300 0.205 0.000 1.020 71 R CA -0.807 55.381 56.100 0.147 0.000 0.899 71 R CB 1.829 32.209 30.300 0.132 0.000 1.205 71 R HN 0.697 nan 8.270 nan 0.000 0.450 72 R N 3.757 124.349 120.500 0.152 0.000 2.255 72 R HA 0.445 4.785 4.340 0.001 0.000 0.326 72 R C -1.503 174.898 176.300 0.169 0.000 0.986 72 R CA -0.427 55.767 56.100 0.157 0.000 0.847 72 R CB 1.409 31.768 30.300 0.097 0.000 1.111 72 R HN 0.312 nan 8.270 nan 0.000 0.452 73 V N 5.601 125.660 119.914 0.241 0.000 2.483 73 V HA 0.212 4.332 4.120 0.001 0.000 0.297 73 V C -0.334 175.871 176.094 0.184 0.000 1.027 73 V CA -0.982 61.435 62.300 0.195 0.000 0.855 73 V CB 1.670 33.604 31.823 0.185 0.000 0.995 73 V HN 0.994 nan 8.190 nan 0.000 0.424 74 N N 4.001 122.772 118.700 0.117 0.000 2.721 74 N HA -0.226 4.515 4.740 0.001 0.000 0.249 74 N C 1.209 176.769 175.510 0.084 0.000 1.072 74 N CA 1.613 54.719 53.050 0.094 0.000 0.710 74 N CB -1.071 37.475 38.487 0.098 0.000 0.993 74 N HN 1.561 nan 8.380 nan 0.000 0.547 75 G N -0.992 107.855 108.800 0.078 0.000 2.253 75 G HA2 -0.381 3.580 3.960 0.001 0.000 0.251 75 G HA3 -0.381 3.580 3.960 0.001 0.000 0.251 75 G C 0.052 174.974 174.900 0.037 0.000 0.998 75 G CA 0.880 46.013 45.100 0.055 0.000 0.621 75 G HN 0.657 nan 8.290 nan 0.000 0.524 76 K N 0.769 121.197 120.400 0.046 0.000 2.156 76 K HA 0.602 4.923 4.320 0.001 0.000 0.271 76 K C 0.039 176.581 176.600 -0.098 0.000 0.995 76 K CA -0.605 55.642 56.287 -0.066 0.000 0.890 76 K CB 1.363 33.783 32.500 -0.132 0.000 1.073 76 K HN 0.033 nan 8.250 nan 0.000 0.454 77 V N 5.353 125.149 119.914 -0.196 0.000 2.439 77 V HA 0.385 4.505 4.120 0.001 0.000 0.282 77 V C -0.596 175.315 176.094 -0.305 0.000 1.039 77 V CA -0.497 61.739 62.300 -0.106 0.000 0.913 77 V CB 0.530 32.340 31.823 -0.020 0.000 0.983 77 V HN 0.583 nan 8.190 nan 0.000 0.460 78 F N 2.223 122.216 119.950 0.072 0.000 2.522 78 F HA 0.821 5.348 4.527 0.001 0.000 0.324 78 F C 0.319 176.174 175.800 0.092 0.000 1.077 78 F CA -0.645 57.404 58.000 0.081 0.000 0.944 78 F CB 2.055 41.097 39.000 0.071 0.000 1.175 78 F HN 0.543 nan 8.300 nan 0.000 0.468 79 A N 3.244 126.239 122.820 0.291 0.000 2.359 79 A HA 0.885 5.206 4.320 0.001 0.000 0.303 79 A C -1.680 176.086 177.584 0.305 0.000 1.066 79 A CA -0.468 51.723 52.037 0.256 0.000 0.730 79 A CB 0.975 20.118 19.000 0.239 0.000 1.211 79 A HN 0.615 nan 8.150 nan 0.000 0.439 80 L N 0.626 122.009 121.223 0.265 0.000 2.303 80 L HA 0.557 4.897 4.340 0.001 0.000 0.256 80 L C 0.269 177.309 176.870 0.284 0.000 1.034 80 L CA -0.605 54.361 54.840 0.211 0.000 0.832 80 L CB 1.628 43.725 42.059 0.064 0.000 1.403 80 L HN 0.749 nan 8.230 nan 0.000 0.419 81 K N 0.708 121.264 120.400 0.260 0.000 2.379 81 K HA 0.030 4.350 4.320 0.001 0.000 0.284 81 K C -0.433 176.185 176.600 0.030 0.000 1.044 81 K CA -0.182 56.238 56.287 0.222 0.000 0.974 81 K CB 0.428 33.023 32.500 0.157 0.000 0.962 81 K HN 0.511 nan 8.250 nan 0.000 0.474 82 D N 4.460 124.869 120.400 0.014 0.000 2.801 82 D HA -0.013 4.628 4.640 0.001 0.000 0.232 82 D C -0.994 175.302 176.300 -0.008 0.000 1.128 82 D CA 0.484 54.483 54.000 -0.002 0.000 1.003 82 D CB -0.131 40.666 40.800 -0.006 0.000 1.110 82 D HN 0.469 nan 8.370 nan 0.000 0.477 83 Q N 1.851 121.623 119.800 -0.046 0.000 2.406 83 Q HA 0.166 4.507 4.340 0.001 0.000 0.244 83 Q C -1.352 174.588 176.000 -0.099 0.000 0.884 83 Q CA -0.696 55.080 55.803 -0.045 0.000 0.813 83 Q CB 0.883 29.602 28.738 -0.031 0.000 1.368 83 Q HN 0.293 nan 8.270 nan 0.000 0.439 84 C N 5.067 124.331 119.300 -0.060 0.000 2.634 84 C HA 0.125 4.586 4.460 0.001 0.000 0.418 84 C C 1.818 176.806 174.990 -0.004 0.000 1.373 84 C CA -0.276 58.733 59.018 -0.015 0.000 1.756 84 C CB -0.802 26.954 27.740 0.027 0.000 2.589 84 C HN 0.897 nan 8.230 nan 0.000 0.602 85 L N 4.648 125.929 121.223 0.097 0.000 2.551 85 L HA 0.081 4.422 4.340 0.001 0.000 0.228 85 L C 2.102 179.003 176.870 0.051 0.000 1.153 85 L CA 1.583 56.484 54.840 0.102 0.000 0.851 85 L CB -1.511 40.676 42.059 0.212 0.000 0.959 85 L HN 0.924 nan 8.230 nan 0.000 0.451 86 H N 1.420 120.312 119.070 -0.296 0.000 2.265 86 H HA 0.109 4.665 4.556 0.001 0.000 0.305 86 H C 0.840 175.978 175.328 -0.318 0.000 1.054 86 H CA 1.378 57.074 56.048 -0.587 0.000 1.296 86 H CB 0.372 29.260 29.762 -1.457 0.000 1.395 86 H HN 0.309 nan 8.280 nan 0.000 0.502 87 R N -0.528 119.700 120.500 -0.452 0.000 2.659 87 R HA 0.156 4.496 4.340 0.001 0.000 0.418 87 R C 0.466 176.673 176.300 -0.155 0.000 1.076 87 R CA 0.395 56.267 56.100 -0.381 0.000 1.093 87 R CB 1.392 31.375 30.300 -0.529 0.000 1.400 87 R HN 0.658 nan 8.270 nan 0.000 0.583 88 G N 1.588 110.325 108.800 -0.105 0.000 2.179 88 G HA2 -0.305 3.656 3.960 0.001 0.000 0.257 88 G HA3 -0.305 3.656 3.960 0.001 0.000 0.257 88 G C 0.412 175.308 174.900 -0.007 0.000 1.010 88 G CA 0.578 45.650 45.100 -0.046 0.000 0.736 88 G HN 0.292 nan 8.290 nan 0.000 0.513 89 V N -3.055 116.854 119.914 -0.008 0.000 3.133 89 V HA 0.691 4.812 4.120 0.001 0.000 0.305 89 V C 0.891 177.032 176.094 0.079 0.000 1.084 89 V CA -1.162 61.168 62.300 0.050 0.000 1.089 89 V CB 0.943 32.747 31.823 -0.033 0.000 1.073 89 V HN 0.338 nan 8.190 nan 0.000 0.477 90 R N 1.967 122.575 120.500 0.181 0.000 2.298 90 R HA 0.405 4.746 4.340 0.001 0.000 0.310 90 R C 0.984 177.471 176.300 0.312 0.000 1.068 90 R CA -0.361 55.844 56.100 0.175 0.000 0.957 90 R CB 0.948 31.331 30.300 0.139 0.000 1.003 90 R HN 0.761 nan 8.270 nan 0.000 0.454 91 L N 1.630 122.979 121.223 0.210 0.000 2.191 91 L HA -0.179 4.162 4.340 0.001 0.000 0.212 91 L C 2.200 179.251 176.870 0.302 0.000 1.103 91 L CA 1.344 56.349 54.840 0.276 0.000 0.769 91 L CB -0.324 41.827 42.059 0.153 0.000 0.908 91 L HN 0.683 nan 8.230 nan 0.000 0.438 92 S N -1.324 114.482 115.700 0.178 0.000 2.522 92 S HA -0.073 4.398 4.470 0.001 0.000 0.227 92 S C 1.565 176.183 174.600 0.030 0.000 0.986 92 S CA 0.269 58.521 58.200 0.086 0.000 0.929 92 S CB -0.128 63.090 63.200 0.029 0.000 0.769 92 S HN 0.455 nan 8.310 nan 0.000 0.529 93 E N 1.238 121.470 120.200 0.054 0.000 2.106 93 E HA 0.027 4.377 4.350 0.001 0.000 0.192 93 E C 0.841 177.222 176.600 -0.364 0.000 0.984 93 E CA 0.739 57.059 56.400 -0.134 0.000 0.806 93 E CB 0.069 29.704 29.700 -0.108 0.000 0.750 93 E HN 0.442 nan 8.360 nan 0.000 0.458 94 K N 0.968 121.055 120.400 -0.522 0.000 2.752 94 K HA 0.223 4.544 4.320 0.001 0.000 0.199 94 K C -2.869 173.625 176.600 -0.177 0.000 1.069 94 K CA -2.127 53.834 56.287 -0.545 0.000 1.033 94 K CB 1.376 33.246 32.500 -1.050 0.000 1.229 94 K HN -0.212 nan 8.250 nan 0.000 0.572 95 P HA -0.074 nan 4.420 nan 0.000 0.255 95 P C -1.186 176.099 177.300 -0.025 0.000 1.161 95 P CA 0.629 63.727 63.100 -0.003 0.000 0.768 95 P CB 0.518 32.203 31.700 -0.024 0.000 0.746 96 T N 3.861 118.406 114.554 -0.015 0.000 3.008 96 T HA 0.336 4.687 4.350 0.001 0.000 0.328 96 T C -0.851 173.637 174.700 -0.354 0.000 1.020 96 T CA -0.214 61.773 62.100 -0.188 0.000 1.043 96 T CB 0.154 68.981 68.868 -0.067 0.000 1.010 96 T HN 0.270 nan 8.240 nan 0.000 0.466 97 C N 2.856 121.904 119.300 -0.419 0.000 2.346 97 C HA 0.480 4.941 4.460 0.001 0.000 0.326 97 C C 1.047 175.808 174.990 -0.382 0.000 1.224 97 C CA -0.836 57.985 59.018 -0.328 0.000 1.408 97 C CB -0.536 27.135 27.740 -0.115 0.000 2.089 97 C HN 0.987 nan 8.230 nan 0.000 0.456 98 F N 1.321 121.296 119.950 0.041 0.000 2.698 98 F HA 0.127 4.655 4.527 0.001 0.000 0.295 98 F C 1.699 177.508 175.800 0.015 0.000 1.124 98 F CA 0.317 58.333 58.000 0.027 0.000 1.426 98 F CB 0.194 39.207 39.000 0.021 0.000 1.120 98 F HN 0.652 nan 8.300 nan 0.000 0.583 99 T N -3.823 110.817 114.554 0.142 0.000 2.883 99 T HA 0.300 4.651 4.350 0.001 0.000 0.296 99 T C 0.581 175.298 174.700 0.029 0.000 1.117 99 T CA -0.938 61.211 62.100 0.081 0.000 1.006 99 T CB 2.114 71.024 68.868 0.071 0.000 1.191 99 T HN -0.282 nan 8.240 nan 0.000 0.508 100 K N 0.825 121.236 120.400 0.018 0.000 2.362 100 K HA 0.004 4.324 4.320 0.001 0.000 0.200 100 K C 1.848 178.416 176.600 -0.055 0.000 1.046 100 K CA 1.357 57.643 56.287 -0.001 0.000 0.952 100 K CB -0.230 32.280 32.500 0.017 0.000 0.753 100 K HN 0.786 nan 8.250 nan 0.000 0.466 101 S N -0.611 115.053 115.700 -0.060 0.000 2.554 101 S HA 0.058 4.529 4.470 0.001 0.000 0.226 101 S C 0.561 175.090 174.600 -0.119 0.000 0.980 101 S CA -0.397 57.728 58.200 -0.125 0.000 0.939 101 S CB 0.043 63.197 63.200 -0.076 0.000 0.832 101 S HN 0.217 nan 8.310 nan 0.000 0.486 102 T N -0.983 113.534 114.554 -0.061 0.000 2.812 102 T HA 0.752 5.102 4.350 0.001 0.000 0.294 102 T C -1.068 173.644 174.700 0.021 0.000 1.159 102 T CA -0.878 61.218 62.100 -0.007 0.000 1.008 102 T CB 1.590 70.481 68.868 0.039 0.000 1.289 102 T HN 0.352 nan 8.240 nan 0.000 0.514 103 I N 0.574 121.200 120.570 0.093 0.000 2.656 103 I HA 0.651 4.821 4.170 0.001 0.000 0.292 103 I C -1.166 175.077 176.117 0.209 0.000 1.144 103 I CA -0.408 60.960 61.300 0.113 0.000 1.038 103 I CB 2.112 40.187 38.000 0.125 0.000 1.244 103 I HN 0.858 nan 8.210 nan 0.000 0.420 104 S N 5.364 121.154 115.700 0.150 0.000 2.607 104 S HA 0.416 4.887 4.470 0.001 0.000 0.303 104 S C -1.023 173.723 174.600 0.244 0.000 1.086 104 S CA -0.554 57.776 58.200 0.217 0.000 0.995 104 S CB 1.756 65.109 63.200 0.255 0.000 1.084 104 S HN 0.742 nan 8.310 nan 0.000 0.507 105 C N 4.468 123.922 119.300 0.257 0.000 2.415 105 C HA 0.382 4.843 4.460 0.001 0.000 0.369 105 C C 1.750 176.769 174.990 0.049 0.000 1.279 105 C CA -0.833 58.243 59.018 0.096 0.000 1.886 105 C CB -1.068 26.717 27.740 0.074 0.000 2.468 105 C HN 1.040 nan 8.230 nan 0.000 0.553 106 W N 4.157 125.551 121.300 0.156 0.000 2.721 106 W HA -0.056 4.605 4.660 0.001 0.000 0.245 106 W C 1.291 177.902 176.519 0.153 0.000 1.276 106 W CA 0.231 57.650 57.345 0.123 0.000 1.342 106 W CB -1.259 28.225 29.460 0.040 0.000 1.135 106 W HN 0.913 nan 8.180 nan 0.000 0.654 107 Y N 1.231 121.224 120.300 -0.512 0.000 2.197 107 Y HA -0.113 4.438 4.550 0.001 0.000 0.281 107 Y C 1.624 177.267 175.900 -0.427 0.000 1.099 107 Y CA 1.631 59.397 58.100 -0.556 0.000 1.092 107 Y CB -0.301 37.599 38.460 -0.932 0.000 1.028 107 Y HN -0.099 nan 8.280 nan 0.000 0.489 108 H N -1.111 117.994 119.070 0.058 0.000 2.592 108 H HA 0.286 4.843 4.556 0.001 0.000 0.279 108 H C 0.986 176.391 175.328 0.128 0.000 1.089 108 H CA 0.455 56.524 56.048 0.035 0.000 1.150 108 H CB 0.902 30.613 29.762 -0.085 0.000 1.575 108 H HN 0.587 nan 8.280 nan 0.000 0.547 109 G N 0.424 109.367 108.800 0.238 0.000 2.159 109 G HA2 -0.315 3.646 3.960 0.001 0.000 0.256 109 G HA3 -0.315 3.646 3.960 0.001 0.000 0.256 109 G C -0.123 174.906 174.900 0.214 0.000 0.977 109 G CA -0.383 44.854 45.100 0.228 0.000 0.652 109 G HN 0.201 nan 8.290 nan 0.000 0.531 110 F N 2.085 121.988 119.950 -0.079 0.000 2.602 110 F HA 0.413 4.941 4.527 0.001 0.000 0.385 110 F C 1.243 176.792 175.800 -0.419 0.000 1.063 110 F CA 0.605 58.439 58.000 -0.278 0.000 1.233 110 F CB 0.747 39.620 39.000 -0.211 0.000 1.067 110 F HN -0.030 nan 8.300 nan 0.000 0.564 111 T N 5.563 119.832 114.554 -0.475 0.000 2.792 111 T HA 0.603 4.954 4.350 0.001 0.000 0.280 111 T C -0.786 173.551 174.700 -0.606 0.000 0.990 111 T CA -0.417 61.469 62.100 -0.357 0.000 0.960 111 T CB 0.517 69.324 68.868 -0.101 0.000 0.939 111 T HN 0.125 nan 8.240 nan 0.000 0.439 112 F N 1.062 121.052 119.950 0.067 0.000 2.522 112 F HA 0.448 4.975 4.527 0.001 0.000 0.324 112 F C 0.511 176.313 175.800 0.004 0.000 1.077 112 F CA -1.467 56.556 58.000 0.039 0.000 0.944 112 F CB 1.060 40.094 39.000 0.056 0.000 1.175 112 F HN 0.416 nan 8.300 nan 0.000 0.468 113 D N 1.856 122.351 120.400 0.159 0.000 2.348 113 D HA 0.194 4.834 4.640 0.001 0.000 0.253 113 D C 0.981 177.296 176.300 0.025 0.000 1.161 113 D CA 0.117 54.148 54.000 0.051 0.000 0.876 113 D CB 0.880 41.700 40.800 0.032 0.000 1.160 113 D HN 0.535 nan 8.370 nan 0.000 0.459 114 L N 2.832 123.993 121.223 -0.103 0.000 2.079 114 L HA -0.129 4.211 4.340 0.001 0.000 0.210 114 L C 2.076 178.880 176.870 -0.110 0.000 1.081 114 L CA 1.120 55.828 54.840 -0.221 0.000 0.752 114 L CB -0.316 41.328 42.059 -0.691 0.000 0.896 114 L HN 0.552 nan 8.230 nan 0.000 0.433 115 E N 0.000 120.146 120.200 -0.090 0.000 2.072 115 E HA -0.167 4.183 4.350 0.001 0.000 0.190 115 E C 2.007 178.673 176.600 0.110 0.000 0.982 115 E CA 1.888 58.361 56.400 0.120 0.000 0.803 115 E CB 0.082 29.842 29.700 0.101 0.000 0.755 115 E HN 0.448 nan 8.360 nan 0.000 0.453 116 T N -4.605 109.987 114.554 0.063 0.000 2.990 116 T HA 0.326 4.677 4.350 0.001 0.000 0.250 116 T C 1.570 176.301 174.700 0.052 0.000 1.041 116 T CA 0.521 62.653 62.100 0.054 0.000 1.010 116 T CB 0.471 69.365 68.868 0.044 0.000 1.003 116 T HN 0.340 nan 8.240 nan 0.000 0.499 117 G N 1.798 110.643 108.800 0.075 0.000 2.179 117 G HA2 -0.301 3.659 3.960 0.001 0.000 0.260 117 G HA3 -0.301 3.659 3.960 0.001 0.000 0.260 117 G C 0.010 175.023 174.900 0.189 0.000 0.977 117 G CA 0.434 45.593 45.100 0.099 0.000 0.641 117 G HN 0.871 nan 8.290 nan 0.000 0.533 118 K N 0.188 120.676 120.400 0.146 0.000 2.355 118 K HA 0.408 4.729 4.320 0.001 0.000 0.270 118 K C 0.478 177.181 176.600 0.172 0.000 1.003 118 K CA -0.792 55.580 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 0.243 nan 8.250 nan 0.000 0.482 119 L N 7.031 128.332 121.223 0.129 0.000 2.433 119 L HA 0.034 4.374 4.340 0.001 0.000 0.284 119 L C 0.654 177.439 176.870 -0.143 0.000 1.120 119 L CA 0.277 55.064 54.840 -0.088 0.000 0.879 119 L CB 0.637 42.645 42.059 -0.085 0.000 1.232 119 L HN 0.610 nan 8.230 nan 0.000 0.454 120 V N 1.656 121.474 119.914 -0.161 0.000 3.052 120 V HA 0.282 4.403 4.120 0.001 0.000 0.254 120 V C 0.887 176.880 176.094 -0.167 0.000 1.100 120 V CA 1.195 63.420 62.300 -0.124 0.000 1.112 120 V CB -0.398 31.379 31.823 -0.077 0.000 0.738 120 V HN 0.874 nan 8.190 nan 0.000 0.469 121 T N -1.036 113.369 114.554 -0.248 0.000 2.652 121 T HA 0.555 4.906 4.350 0.001 0.000 0.303 121 T C -2.122 172.367 174.700 -0.353 0.000 1.738 121 T CA -0.410 61.536 62.100 -0.256 0.000 0.969 121 T CB 1.418 70.185 68.868 -0.168 0.000 1.778 121 T HN 0.219 nan 8.240 nan 0.000 0.494 122 I N 2.728 123.107 120.570 -0.318 0.000 2.478 122 I HA 0.323 4.494 4.170 0.001 0.000 0.287 122 I C 1.595 177.608 176.117 -0.172 0.000 1.042 122 I CA -0.906 60.205 61.300 -0.316 0.000 1.067 122 I CB 2.093 39.822 38.000 -0.452 0.000 1.233 122 I HN 0.526 nan 8.210 nan 0.000 0.431 123 V N 4.675 124.529 119.914 -0.101 0.000 2.242 123 V HA -0.366 3.755 4.120 0.001 0.000 0.257 123 V C 1.803 177.833 176.094 -0.106 0.000 1.073 123 V CA 2.793 65.026 62.300 -0.111 0.000 1.058 123 V CB -0.526 31.250 31.823 -0.079 0.000 0.664 123 V HN 0.931 nan 8.190 nan 0.000 0.451 124 A N -0.811 121.968 122.820 -0.068 0.000 2.630 124 A HA 0.413 4.734 4.320 0.001 0.000 0.290 124 A C 0.652 178.197 177.584 -0.066 0.000 1.267 124 A CA 0.286 52.288 52.037 -0.058 0.000 0.950 124 A CB -0.287 18.699 19.000 -0.023 0.000 1.144 124 A HN 0.520 nan 8.150 nan 0.000 0.527 125 N N 0.012 118.652 118.700 -0.101 0.000 2.605 125 N HA 0.115 4.856 4.740 0.001 0.000 0.265 125 N C -2.275 173.144 175.510 -0.151 0.000 1.625 125 N CA -0.813 52.168 53.050 -0.115 0.000 0.862 125 N CB 0.812 39.224 38.487 -0.125 0.000 1.415 125 N HN 0.051 nan 8.380 nan 0.000 0.513 126 P HA -0.094 nan 4.420 nan 0.000 0.223 126 P C 0.043 177.268 177.300 -0.124 0.000 1.144 126 P CA 1.229 64.249 63.100 -0.133 0.000 0.783 126 P CB 0.443 32.079 31.700 -0.106 0.000 0.771 127 E N -0.520 119.614 120.200 -0.111 0.000 2.538 127 E HA 0.071 4.422 4.350 0.001 0.000 0.207 127 E C -0.010 176.529 176.600 -0.100 0.000 1.002 127 E CA -0.378 55.965 56.400 -0.095 0.000 0.952 127 E CB -0.009 29.649 29.700 -0.071 0.000 1.031 127 E HN 0.277 nan 8.360 nan 0.000 0.476 128 D N 2.025 122.346 120.400 -0.131 0.000 2.472 128 D HA -0.081 4.560 4.640 0.001 0.000 0.237 128 D C 1.285 177.517 176.300 -0.114 0.000 1.141 128 D CA 0.404 54.327 54.000 -0.128 0.000 0.875 128 D CB 0.850 41.542 40.800 -0.179 0.000 1.192 128 D HN 0.032 nan 8.370 nan 0.000 0.450 129 K N 2.639 122.991 120.400 -0.081 0.000 2.442 129 K HA -0.112 4.209 4.320 0.001 0.000 0.198 129 K C 1.633 178.194 176.600 -0.065 0.000 1.042 129 K CA 0.515 56.764 56.287 -0.064 0.000 0.958 129 K CB -0.043 32.432 32.500 -0.042 0.000 0.766 129 K HN 0.349 nan 8.250 nan 0.000 0.474 130 L N 1.744 122.917 121.223 -0.082 0.000 2.217 130 L HA 0.154 4.495 4.340 0.001 0.000 0.211 130 L C 0.635 177.444 176.870 -0.102 0.000 1.107 130 L CA 0.794 55.593 54.840 -0.068 0.000 0.783 130 L CB -0.073 41.953 42.059 -0.054 0.000 0.919 130 L HN 0.165 nan 8.230 nan 0.000 0.442 131 I N 0.565 121.038 120.570 -0.163 0.000 2.845 131 I HA 0.023 4.194 4.170 0.001 0.000 0.296 131 I C 1.682 177.738 176.117 -0.102 0.000 1.216 131 I CA 0.990 62.185 61.300 -0.176 0.000 1.438 131 I CB -0.266 37.615 38.000 -0.198 0.000 1.342 131 I HN 0.496 nan 8.210 nan 0.000 0.577 132 G N 3.838 112.588 108.800 -0.084 0.000 2.220 132 G HA2 -0.368 3.593 3.960 0.001 0.000 0.269 132 G HA3 -0.368 3.593 3.960 0.001 0.000 0.269 132 G C 0.892 175.781 174.900 -0.018 0.000 0.977 132 G CA 0.864 45.938 45.100 -0.044 0.000 0.634 132 G HN 0.790 nan 8.290 nan 0.000 0.539 133 T N -3.381 111.164 114.554 -0.015 0.000 3.107 133 T HA 0.491 4.842 4.350 0.001 0.000 0.249 133 T C 0.796 175.512 174.700 0.025 0.000 1.096 133 T CA 1.698 63.799 62.100 0.002 0.000 1.012 133 T CB 0.768 69.635 68.868 -0.002 0.000 0.977 133 T HN 1.200 nan 8.240 nan 0.000 0.527 134 T N -1.370 113.211 114.554 0.045 0.000 2.653 134 T HA 0.640 4.991 4.350 0.001 0.000 0.306 134 T C -1.245 173.529 174.700 0.123 0.000 1.426 134 T CA 0.127 62.274 62.100 0.078 0.000 1.008 134 T CB 1.228 70.154 68.868 0.097 0.000 1.692 134 T HN 0.729 nan 8.240 nan 0.000 0.483 135 G N -0.193 108.699 108.800 0.154 0.000 2.430 135 G HA2 0.545 4.505 3.960 0.001 0.000 0.300 135 G HA3 0.545 4.505 3.960 0.001 0.000 0.300 135 G C -1.052 173.916 174.900 0.113 0.000 1.330 135 G CA 0.116 45.350 45.100 0.223 0.000 0.813 135 G HN 1.511 nan 8.290 nan 0.000 0.487 136 V N -1.863 118.056 119.914 0.009 0.000 2.713 136 V HA 0.828 4.949 4.120 0.001 0.000 0.307 136 V C 0.543 176.574 176.094 -0.104 0.000 1.052 136 V CA -0.557 61.665 62.300 -0.129 0.000 0.967 136 V CB 1.159 32.758 31.823 -0.374 0.000 1.019 136 V HN 0.913 nan 8.190 nan 0.000 0.459 137 T N 3.356 117.835 114.554 -0.124 0.000 2.940 137 T HA 0.373 4.723 4.350 0.001 0.000 0.309 137 T C 0.503 174.956 174.700 -0.410 0.000 1.056 137 T CA 0.572 62.522 62.100 -0.249 0.000 1.137 137 T CB 0.288 68.985 68.868 -0.286 0.000 0.976 137 T HN 1.228 nan 8.240 nan 0.000 0.547 138 T N 0.171 114.452 114.554 -0.454 0.000 2.925 138 T HA 0.641 4.991 4.350 0.001 0.000 0.285 138 T C -1.214 173.094 174.700 -0.652 0.000 1.021 138 T CA -0.871 61.013 62.100 -0.361 0.000 1.042 138 T CB 0.762 69.577 68.868 -0.089 0.000 1.037 138 T HN 0.492 nan 8.240 nan 0.000 0.481 139 Y N 0.673 121.009 120.300 0.060 0.000 2.338 139 Y HA 0.467 5.017 4.550 0.001 0.000 0.333 139 Y C -2.521 173.414 175.900 0.059 0.000 0.968 139 Y CA -2.637 55.488 58.100 0.041 0.000 1.123 139 Y CB 1.719 40.179 38.460 0.001 0.000 1.165 139 Y HN 0.507 nan 8.280 nan 0.000 0.452 140 P HA 0.010 nan 4.420 nan 0.000 0.265 140 P C -0.835 176.611 177.300 0.243 0.000 1.187 140 P CA 0.178 63.360 63.100 0.137 0.000 0.766 140 P CB 0.683 32.392 31.700 0.015 0.000 0.820 141 V N 3.857 123.948 119.914 0.294 0.000 2.680 141 V HA 0.377 4.498 4.120 0.001 0.000 0.309 141 V C -0.377 175.947 176.094 0.382 0.000 1.052 141 V CA -0.309 62.199 62.300 0.347 0.000 0.908 141 V CB 1.886 33.789 31.823 0.134 0.000 1.001 141 V HN 0.598 nan 8.190 nan 0.000 0.431 142 H N 3.464 122.715 119.070 0.301 0.000 3.092 142 H HA 0.401 4.957 4.556 0.001 0.000 0.308 142 H C -0.807 174.576 175.328 0.092 0.000 1.047 142 H CA -0.374 55.708 56.048 0.057 0.000 1.466 142 H CB 1.368 30.944 29.762 -0.310 0.000 1.597 142 H HN 0.814 nan 8.280 nan 0.000 0.512 143 E N 4.093 124.438 120.200 0.242 0.000 2.197 143 E HA 0.518 4.869 4.350 0.001 0.000 0.281 143 E C -1.317 175.413 176.600 0.218 0.000 0.995 143 E CA -0.760 55.758 56.400 0.195 0.000 0.808 143 E CB 1.479 31.226 29.700 0.079 0.000 1.093 143 E HN 0.287 nan 8.360 nan 0.000 0.394 144 V N 5.358 125.397 119.914 0.208 0.000 2.852 144 V HA 0.202 4.323 4.120 0.001 0.000 0.300 144 V C -1.244 174.929 176.094 0.132 0.000 1.205 144 V CA -0.703 61.692 62.300 0.158 0.000 0.940 144 V CB 1.817 33.730 31.823 0.150 0.000 1.047 144 V HN 0.962 nan 8.190 nan 0.000 0.429 145 N N 4.625 123.384 118.700 0.098 0.000 2.699 145 N HA -0.207 4.534 4.740 0.001 0.000 0.256 145 N C 1.073 176.650 175.510 0.112 0.000 0.993 145 N CA 2.007 55.113 53.050 0.092 0.000 0.759 145 N CB -1.014 37.525 38.487 0.087 0.000 0.906 145 N HN 1.962 nan 8.380 nan 0.000 0.541 146 G N -1.747 107.121 108.800 0.113 0.000 2.175 146 G HA2 -0.316 3.645 3.960 0.001 0.000 0.244 146 G HA3 -0.316 3.645 3.960 0.001 0.000 0.244 146 G C 0.029 175.041 174.900 0.188 0.000 0.982 146 G CA 0.532 45.720 45.100 0.146 0.000 0.641 146 G HN 0.421 nan 8.290 nan 0.000 0.527 147 M N 0.435 120.099 119.600 0.107 0.000 2.393 147 M HA 0.592 5.073 4.480 0.001 0.000 0.316 147 M C -0.317 175.887 176.300 -0.160 0.000 1.087 147 M CA -0.690 54.556 55.300 -0.090 0.000 0.937 147 M CB 2.330 34.763 32.600 -0.278 0.000 1.668 147 M HN 0.030 nan 8.290 nan 0.000 0.438 148 I N 3.172 123.567 120.570 -0.291 0.000 2.307 148 I HA 0.342 4.513 4.170 0.001 0.000 0.289 148 I C -1.094 174.810 176.117 -0.356 0.000 1.021 148 I CA -0.266 60.932 61.300 -0.169 0.000 1.224 148 I CB 0.492 38.444 38.000 -0.079 0.000 1.376 148 I HN 0.495 nan 8.210 nan 0.000 0.470 149 F N 5.577 125.491 119.950 -0.059 0.000 2.422 149 F HA 0.563 5.091 4.527 0.001 0.000 0.333 149 F C 0.163 176.136 175.800 0.289 0.000 1.095 149 F CA -0.659 57.344 58.000 0.005 0.000 1.038 149 F CB 1.680 40.649 39.000 -0.051 0.000 1.156 149 F HN 0.012 nan 8.300 nan 0.000 0.483 150 V N 3.409 123.585 119.914 0.436 0.000 2.656 150 V HA 0.258 4.379 4.120 0.001 0.000 0.307 150 V C -1.036 175.133 176.094 0.125 0.000 1.051 150 V CA -0.967 61.507 62.300 0.291 0.000 0.893 150 V CB 2.021 33.893 31.823 0.082 0.000 0.999 150 V HN 0.520 nan 8.190 nan 0.000 0.426 151 F N 5.376 125.035 119.950 -0.485 0.000 2.377 151 F HA 0.479 5.007 4.527 0.001 0.000 0.360 151 F C 0.170 175.794 175.800 -0.293 0.000 1.147 151 F CA -0.441 57.036 58.000 -0.872 0.000 1.170 151 F CB 0.708 38.788 39.000 -1.532 0.000 1.339 151 F HN 0.279 nan 8.300 nan 0.000 0.552 152 V N 7.659 127.284 119.914 -0.482 0.000 2.439 152 V HA 0.307 4.428 4.120 0.001 0.000 0.271 152 V C 0.091 175.889 176.094 -0.495 0.000 1.040 152 V CA -0.164 61.926 62.300 -0.350 0.000 1.002 152 V CB -0.006 31.664 31.823 -0.255 0.000 1.000 152 V HN 0.768 nan 8.190 nan 0.000 0.477 153 R N 3.050 123.443 120.500 -0.178 0.000 2.888 153 R HA 0.697 5.038 4.340 0.001 0.000 0.264 153 R C -0.714 175.609 176.300 0.039 0.000 1.045 153 R CA -1.033 54.929 56.100 -0.229 0.000 0.962 153 R CB 1.900 32.082 30.300 -0.197 0.000 1.210 153 R HN 0.522 nan 8.270 nan 0.000 0.479 154 E N 0.482 120.708 120.200 0.043 0.000 2.392 154 E HA -0.007 4.344 4.350 0.001 0.000 0.259 154 E C -0.106 176.565 176.600 0.118 0.000 1.108 154 E CA -0.455 56.003 56.400 0.097 0.000 0.916 154 E CB 0.613 30.384 29.700 0.119 0.000 0.989 154 E HN 0.528 nan 8.360 nan 0.000 0.432 155 D N 1.444 121.890 120.400 0.078 0.000 2.182 155 D HA -0.169 4.471 4.640 0.001 0.000 0.201 155 D C 1.042 177.375 176.300 0.055 0.000 0.986 155 D CA 1.359 55.385 54.000 0.044 0.000 0.847 155 D CB -0.126 40.690 40.800 0.026 0.000 0.942 155 D HN 0.481 nan 8.370 nan 0.000 0.467 156 D N -0.940 119.509 120.400 0.082 0.000 2.349 156 D HA -0.077 4.563 4.640 0.001 0.000 0.214 156 D C 0.242 176.597 176.300 0.092 0.000 1.063 156 D CA -0.575 53.464 54.000 0.066 0.000 0.847 156 D CB -0.972 39.852 40.800 0.040 0.000 0.933 156 D HN 0.072 nan 8.370 nan 0.000 0.513 157 F N 3.572 123.537 119.950 0.025 0.000 2.533 157 F HA 0.226 4.754 4.527 0.001 0.000 0.378 157 F C -1.857 173.965 175.800 0.037 0.000 1.070 157 F CA -2.049 55.981 58.000 0.050 0.000 1.172 157 F CB 0.440 39.499 39.000 0.097 0.000 1.085 157 F HN -0.167 nan 8.300 nan 0.000 0.552 158 P HA 0.013 nan 4.420 nan 0.000 0.271 158 P C -0.178 177.095 177.300 -0.046 0.000 1.218 158 P CA -0.089 62.912 63.100 -0.166 0.000 0.780 158 P CB 0.963 32.523 31.700 -0.234 0.000 0.901 159 D N 2.032 122.439 120.400 0.011 0.000 2.123 159 D HA -0.164 4.476 4.640 0.001 0.000 0.196 159 D C 1.523 177.824 176.300 0.001 0.000 0.992 159 D CA 1.612 55.634 54.000 0.036 0.000 0.833 159 D CB -0.336 40.475 40.800 0.019 0.000 0.954 159 D HN 0.492 nan 8.370 nan 0.000 0.455 160 E N 0.515 120.693 120.200 -0.037 0.000 2.267 160 E HA -0.131 4.219 4.350 0.001 0.000 0.197 160 E C 1.019 177.588 176.600 -0.052 0.000 0.998 160 E CA 0.940 57.313 56.400 -0.045 0.000 0.830 160 E CB -0.057 29.609 29.700 -0.057 0.000 0.751 160 E HN 0.273 nan 8.360 nan 0.000 0.491 161 D N -0.510 119.837 120.400 -0.088 0.000 2.349 161 D HA 0.024 4.665 4.640 0.001 0.000 0.214 161 D C -0.332 176.065 176.300 0.162 0.000 1.063 161 D CA 0.049 54.010 54.000 -0.065 0.000 0.847 161 D CB 0.360 40.906 40.800 -0.424 0.000 0.933 161 D HN -0.038 nan 8.370 nan 0.000 0.513 162 V N 4.522 124.492 119.914 0.094 0.000 2.450 162 V HA 0.081 4.202 4.120 0.001 0.000 0.281 162 V C -1.533 174.453 176.094 -0.181 0.000 1.019 162 V CA -0.761 61.392 62.300 -0.244 0.000 1.062 162 V CB 0.369 31.965 31.823 -0.378 0.000 0.979 162 V HN 0.080 nan 8.190 nan 0.000 0.477 163 P HA 0.392 nan 4.420 nan 0.000 0.278 163 P C -2.758 174.537 177.300 -0.009 0.000 1.266 163 P CA -1.976 61.087 63.100 -0.061 0.000 0.807 163 P CB 0.524 32.266 31.700 0.070 0.000 1.094 164 P HA 0.033 nan 4.420 nan 0.000 0.275 164 P C 1.077 178.119 177.300 -0.430 0.000 1.227 164 P CA -0.378 62.535 63.100 -0.312 0.000 0.781 164 P CB 0.730 32.183 31.700 -0.412 0.000 0.906 165 L N 4.131 124.848 121.223 -0.843 0.000 2.051 165 L HA -0.258 4.083 4.340 0.001 0.000 0.214 165 L C 2.366 178.804 176.870 -0.719 0.000 1.076 165 L CA 2.660 56.661 54.840 -1.397 0.000 0.758 165 L CB -1.660 39.357 42.059 -1.737 0.000 0.890 165 L HN 0.498 nan 8.230 nan 0.000 0.433 166 A N -1.522 121.002 122.820 -0.494 0.000 2.032 166 A HA -0.292 4.029 4.320 0.001 0.000 0.221 166 A C 2.129 179.667 177.584 -0.077 0.000 1.165 166 A CA 1.984 53.857 52.037 -0.272 0.000 0.645 166 A CB -1.203 17.700 19.000 -0.162 0.000 0.807 166 A HN 0.798 nan 8.150 nan 0.000 0.453 167 H N -1.515 117.454 119.070 -0.168 0.000 2.521 167 H HA -0.063 4.494 4.556 0.001 0.000 0.286 167 H C 0.306 175.604 175.328 -0.051 0.000 1.034 167 H CA 0.756 56.757 56.048 -0.078 0.000 1.278 167 H CB 0.235 29.999 29.762 0.002 0.000 1.386 167 H HN 0.396 nan 8.280 nan 0.000 0.567 168 D N 0.315 120.753 120.400 0.063 0.000 2.559 168 D HA 0.231 4.871 4.640 0.001 0.000 0.234 168 D C -0.317 175.940 176.300 -0.073 0.000 1.226 168 D CA 0.141 54.184 54.000 0.072 0.000 0.830 168 D CB 0.593 41.555 40.800 0.271 0.000 1.028 168 D HN 0.202 nan 8.370 nan 0.000 0.492 169 L N 0.175 121.284 121.223 -0.190 0.000 2.333 169 L HA 0.489 4.830 4.340 0.001 0.000 0.263 169 L C -2.291 174.382 176.870 -0.329 0.000 1.014 169 L CA -2.279 52.402 54.840 -0.265 0.000 0.820 169 L CB 2.393 44.243 42.059 -0.347 0.000 1.352 169 L HN -0.311 nan 8.230 nan 0.000 0.421 170 P HA -0.012 nan 4.420 nan 0.000 0.270 170 P C -0.778 176.338 177.300 -0.307 0.000 1.221 170 P CA -0.019 62.865 63.100 -0.360 0.000 0.788 170 P CB 0.273 31.926 31.700 -0.078 0.000 0.904 171 F N 0.368 120.280 119.950 -0.064 0.000 2.602 171 F HA 0.057 4.585 4.527 0.001 0.000 0.367 171 F C 1.717 177.436 175.800 -0.134 0.000 1.126 171 F CA 0.408 58.340 58.000 -0.114 0.000 1.321 171 F CB 0.085 38.988 39.000 -0.161 0.000 1.094 171 F HN 0.028 nan 8.300 nan 0.000 0.594 172 R N 2.470 122.951 120.500 -0.032 0.000 2.486 172 R HA 0.612 4.952 4.340 0.001 0.000 0.286 172 R C -1.427 174.707 176.300 -0.277 0.000 0.999 172 R CA -0.771 55.302 56.100 -0.043 0.000 0.993 172 R CB 1.154 31.451 30.300 -0.005 0.000 1.084 172 R HN 0.426 nan 8.270 nan 0.000 0.487 173 F N 1.384 121.426 119.950 0.154 0.000 2.577 173 F HA 0.344 4.871 4.527 0.001 0.000 0.318 173 F C -1.207 174.671 175.800 0.130 0.000 1.065 173 F CA -2.148 55.948 58.000 0.160 0.000 0.929 173 F CB 1.704 40.782 39.000 0.130 0.000 1.237 173 F HN 0.417 nan 8.300 nan 0.000 0.468 174 P HA -0.100 nan 4.420 nan 0.000 0.237 174 P C 1.054 178.465 177.300 0.185 0.000 1.178 174 P CA 0.857 64.154 63.100 0.328 0.000 0.766 174 P CB 0.162 32.002 31.700 0.233 0.000 0.876 175 E N 1.706 121.958 120.200 0.086 0.000 2.108 175 E HA -0.221 4.130 4.350 0.001 0.000 0.203 175 E C 1.245 177.822 176.600 -0.037 0.000 1.022 175 E CA 1.303 57.709 56.400 0.011 0.000 0.823 175 E CB -0.069 29.621 29.700 -0.016 0.000 0.744 175 E HN 0.236 nan 8.360 nan 0.000 0.456 176 R N 0.039 120.453 120.500 -0.143 0.000 2.552 176 R HA 0.215 4.556 4.340 0.001 0.000 0.314 176 R C 1.646 177.960 176.300 0.024 0.000 1.041 176 R CA 0.068 56.055 56.100 -0.188 0.000 1.076 176 R CB 0.634 30.764 30.300 -0.283 0.000 1.290 176 R HN 0.048 nan 8.270 nan 0.000 0.563 177 S N 1.611 117.481 115.700 0.282 0.000 2.399 177 S HA -0.186 4.285 4.470 0.001 0.000 0.231 177 S C 2.324 177.051 174.600 0.211 0.000 1.022 177 S CA 1.880 60.393 58.200 0.522 0.000 0.983 177 S CB 0.115 63.574 63.200 0.432 0.000 0.803 177 S HN 0.694 nan 8.310 nan 0.000 0.480 178 E N 1.169 121.405 120.200 0.061 0.000 2.107 178 E HA -0.136 4.215 4.350 0.001 0.000 0.191 178 E C 1.778 178.335 176.600 -0.072 0.000 0.982 178 E CA 1.342 57.730 56.400 -0.019 0.000 0.809 178 E CB -0.802 28.871 29.700 -0.046 0.000 0.756 178 E HN 0.693 nan 8.360 nan 0.000 0.459 179 Q N -1.783 117.897 119.800 -0.199 0.000 2.123 179 Q HA 0.045 4.386 4.340 0.001 0.000 0.199 179 Q C -0.196 175.531 176.000 -0.454 0.000 0.966 179 Q CA 0.875 56.389 55.803 -0.482 0.000 0.845 179 Q CB 0.100 28.303 28.738 -0.891 0.000 0.907 179 Q HN 0.587 nan 8.270 nan 0.000 0.439 180 F N 1.228 121.352 119.950 0.291 0.000 2.449 180 F HA 0.431 4.959 4.527 0.001 0.000 0.344 180 F C -2.258 173.861 175.800 0.532 0.000 1.180 180 F CA -2.667 55.625 58.000 0.488 0.000 1.209 180 F CB 1.183 40.393 39.000 0.350 0.000 1.440 180 F HN -0.057 nan 8.300 nan 0.000 0.526 181 P HA -0.036 nan 4.420 nan 0.000 0.264 181 P C -0.653 176.709 177.300 0.104 0.000 1.183 181 P CA 0.448 63.643 63.100 0.158 0.000 0.763 181 P CB 0.127 31.842 31.700 0.026 0.000 0.807 182 H N 2.061 121.009 119.070 -0.202 0.000 2.514 182 H HA 0.308 4.865 4.556 0.001 0.000 0.226 182 H C -2.212 172.666 175.328 -0.750 0.000 1.421 182 H CA -2.136 53.488 56.048 -0.707 0.000 1.394 182 H CB 0.096 29.318 29.762 -0.901 0.000 1.701 182 H HN 0.211 nan 8.280 nan 0.000 0.515 183 P HA -0.141 nan 4.420 nan 0.000 0.222 183 P C 0.856 177.924 177.300 -0.388 0.000 1.147 183 P CA 0.751 63.609 63.100 -0.403 0.000 0.790 183 P CB 0.637 32.173 31.700 -0.273 0.000 0.780 184 L N -2.184 118.706 121.223 -0.555 0.000 2.591 184 L HA 0.153 4.494 4.340 0.001 0.000 0.228 184 L C 0.432 177.242 176.870 -0.100 0.000 1.133 184 L CA -0.189 54.424 54.840 -0.379 0.000 0.880 184 L CB -0.516 41.274 42.059 -0.449 0.000 1.033 184 L HN 0.112 nan 8.230 nan 0.000 0.450 185 W N -2.077 119.176 121.300 -0.079 0.000 3.275 185 W HA 0.527 5.188 4.660 0.001 0.000 0.306 185 W C -3.106 173.423 176.519 0.016 0.000 1.259 185 W CA -2.153 55.143 57.345 -0.083 0.000 1.194 185 W CB -0.324 29.047 29.460 -0.149 0.000 1.375 185 W HN -0.392 nan 8.180 nan 0.000 0.564 186 P HA 0.142 nan 4.420 nan 0.000 0.272 186 P C -0.083 177.348 177.300 0.219 0.000 1.230 186 P CA 0.048 63.259 63.100 0.185 0.000 0.788 186 P CB 1.033 32.766 31.700 0.055 0.000 0.949 187 S N 0.564 116.397 115.700 0.222 0.000 2.537 187 S HA 0.092 4.563 4.470 0.001 0.000 0.286 187 S C 0.512 175.138 174.600 0.045 0.000 1.299 187 S CA -0.003 58.230 58.200 0.055 0.000 1.067 187 S CB -0.426 62.932 63.200 0.263 0.000 0.864 187 S HN 0.348 nan 8.310 nan 0.000 0.494 188 S N 5.283 120.934 115.700 -0.082 0.000 2.548 188 S HA 0.297 4.768 4.470 0.001 0.000 0.277 188 S C -1.729 172.961 174.600 0.149 0.000 1.315 188 S CA -0.920 57.276 58.200 -0.006 0.000 1.050 188 S CB 0.392 63.529 63.200 -0.105 0.000 0.918 188 S HN 0.554 nan 8.310 nan 0.000 0.497 189 P HA 0.244 nan 4.420 nan 0.000 0.276 189 P C -0.601 176.851 177.300 0.254 0.000 1.252 189 P CA -0.481 62.719 63.100 0.168 0.000 0.802 189 P CB 0.973 32.735 31.700 0.104 0.000 1.035 190 S N -0.405 115.408 115.700 0.189 0.000 2.607 190 S HA 0.239 4.709 4.470 0.001 0.000 0.303 190 S C 1.168 175.809 174.600 0.069 0.000 1.086 190 S CA -0.841 57.441 58.200 0.136 0.000 0.995 190 S CB 0.871 64.098 63.200 0.045 0.000 1.084 190 S HN 0.134 nan 8.310 nan 0.000 0.507 191 V N 4.102 124.003 119.914 -0.021 0.000 2.867 191 V HA -0.083 4.038 4.120 0.001 0.000 0.260 191 V C 1.756 177.839 176.094 -0.019 0.000 1.099 191 V CA 1.590 63.901 62.300 0.019 0.000 1.122 191 V CB -0.768 31.070 31.823 0.025 0.000 0.708 191 V HN 0.750 nan 8.190 nan 0.000 0.490 192 L N -1.110 120.069 121.223 -0.074 0.000 2.446 192 L HA 0.120 4.461 4.340 0.001 0.000 0.219 192 L C 0.545 177.402 176.870 -0.021 0.000 1.116 192 L CA 0.058 54.849 54.840 -0.082 0.000 0.844 192 L CB -0.216 41.756 42.059 -0.145 0.000 0.970 192 L HN 0.285 nan 8.230 nan 0.000 0.457 193 D N 0.855 121.260 120.400 0.009 0.000 2.399 193 D HA 0.035 4.675 4.640 0.001 0.000 0.241 193 D C -0.198 176.117 176.300 0.025 0.000 1.133 193 D CA 0.122 54.137 54.000 0.025 0.000 0.890 193 D CB 0.674 41.502 40.800 0.047 0.000 1.201 193 D HN -0.079 nan 8.370 nan 0.000 0.432 194 D N 0.758 121.172 120.400 0.022 0.000 2.455 194 D HA 0.033 4.674 4.640 0.001 0.000 0.241 194 D C 0.727 177.040 176.300 0.023 0.000 1.138 194 D CA 0.394 54.407 54.000 0.022 0.000 0.877 194 D CB 0.145 40.956 40.800 0.018 0.000 1.187 194 D HN 0.415 nan 8.370 nan 0.000 0.451 195 N N -0.653 118.063 118.700 0.025 0.000 2.878 195 N HA -0.217 4.524 4.740 0.001 0.000 0.247 195 N C -0.500 175.024 175.510 0.023 0.000 1.021 195 N CA 0.475 53.540 53.050 0.025 0.000 0.873 195 N CB -0.611 37.886 38.487 0.017 0.000 1.128 195 N HN 0.483 nan 8.380 nan 0.000 0.571 196 A N 0.758 123.597 122.820 0.031 0.000 2.454 196 A HA 0.492 4.813 4.320 0.001 0.000 0.260 196 A C 0.440 178.055 177.584 0.052 0.000 1.106 196 A CA 0.120 52.179 52.037 0.037 0.000 0.780 196 A CB 0.599 19.635 19.000 0.060 0.000 1.044 196 A HN 0.081 nan 8.150 nan 0.000 0.498 197 V N 3.736 123.682 119.914 0.053 0.000 2.513 197 V HA 0.418 4.539 4.120 0.001 0.000 0.299 197 V C -0.098 176.067 176.094 0.118 0.000 1.035 197 V CA -0.488 61.857 62.300 0.074 0.000 0.889 197 V CB 1.702 33.615 31.823 0.149 0.000 0.988 197 V HN 0.641 nan 8.190 nan 0.000 0.440 198 V N 4.536 124.438 119.914 -0.021 0.000 2.459 198 V HA 0.564 4.685 4.120 0.001 0.000 0.295 198 V C -0.709 175.193 176.094 -0.319 0.000 1.029 198 V CA -0.576 61.731 62.300 0.013 0.000 0.874 198 V CB 1.582 33.506 31.823 0.169 0.000 0.985 198 V HN 0.831 nan 8.190 nan 0.000 0.438 199 H N 2.630 121.628 119.070 -0.121 0.000 2.689 199 H HA 0.818 5.375 4.556 0.001 0.000 0.346 199 H C 0.266 175.345 175.328 -0.415 0.000 1.037 199 H CA 0.226 55.897 56.048 -0.629 0.000 1.234 199 H CB 2.105 31.009 29.762 -1.431 0.000 1.572 199 H HN 0.954 nan 8.280 nan 0.000 0.524 200 G N 1.488 110.168 108.800 -0.200 0.000 2.356 200 G HA2 0.423 4.383 3.960 0.001 0.000 0.281 200 G HA3 0.423 4.383 3.960 0.001 0.000 0.281 200 G C -1.371 173.572 174.900 0.073 0.000 1.246 200 G CA -0.346 44.821 45.100 0.111 0.000 0.889 200 G HN 0.581 nan 8.290 nan 0.000 0.486 201 M N -1.041 118.692 119.600 0.221 0.000 2.833 201 M HA 0.751 5.232 4.480 0.001 0.000 0.270 201 M C -1.492 174.788 176.300 -0.034 0.000 1.209 201 M CA -1.027 54.356 55.300 0.137 0.000 0.826 201 M CB 2.257 34.847 32.600 -0.016 0.000 1.657 201 M HN 1.158 nan 8.290 nan 0.000 0.492 202 H N -0.908 117.962 119.070 -0.332 0.000 2.894 202 H HA 0.887 5.443 4.556 0.001 0.000 0.367 202 H C -1.651 173.403 175.328 -0.456 0.000 1.144 202 H CA -0.830 54.759 56.048 -0.765 0.000 1.180 202 H CB 1.528 30.089 29.762 -2.001 0.000 1.758 202 H HN 0.943 nan 8.280 nan 0.000 0.541 203 R N 1.640 122.009 120.500 -0.217 0.000 2.774 203 R HA 0.466 4.807 4.340 0.001 0.000 0.272 203 R C -1.442 174.747 176.300 -0.185 0.000 1.000 203 R CA -0.837 55.179 56.100 -0.140 0.000 0.906 203 R CB 1.204 31.474 30.300 -0.050 0.000 1.227 203 R HN 0.650 nan 8.270 nan 0.000 0.468 204 T N 1.106 115.514 114.554 -0.242 0.000 2.870 204 T HA 0.329 4.680 4.350 0.001 0.000 0.300 204 T C 0.329 174.546 174.700 -0.806 0.000 0.989 204 T CA 0.393 62.215 62.100 -0.464 0.000 1.139 204 T CB 0.854 69.489 68.868 -0.388 0.000 0.920 204 T HN 0.619 nan 8.240 nan 0.000 0.537 205 G N 1.738 109.930 108.800 -1.012 0.000 2.388 205 G HA2 0.605 4.565 3.960 0.001 0.000 0.330 205 G HA3 0.605 4.565 3.960 0.001 0.000 0.330 205 G C -0.930 173.305 174.900 -1.109 0.000 1.142 205 G CA -0.785 43.648 45.100 -1.113 0.000 0.908 205 G HN 0.625 nan 8.290 nan 0.000 0.473 206 F N 1.542 121.396 119.950 -0.160 0.000 2.371 206 F HA 0.640 5.167 4.527 0.001 0.000 0.363 206 F C 0.924 176.734 175.800 0.016 0.000 1.122 206 F CA 0.230 58.185 58.000 -0.074 0.000 1.129 206 F CB 1.578 40.536 39.000 -0.069 0.000 1.173 206 F HN 0.892 nan 8.300 nan 0.000 0.489 207 G N 2.413 111.296 108.800 0.138 0.000 2.334 207 G HA2 -0.040 3.921 3.960 0.001 0.000 0.566 207 G HA3 -0.040 3.921 3.960 0.001 0.000 0.566 207 G C -1.642 173.376 174.900 0.197 0.000 1.413 207 G CA -1.462 43.720 45.100 0.138 0.000 0.993 207 G HN 0.677 nan 8.290 nan 0.000 0.642 208 N N 0.587 119.356 118.700 0.115 0.000 2.454 208 N HA 0.167 4.908 4.740 0.001 0.000 0.254 208 N C 1.833 177.319 175.510 -0.040 0.000 1.228 208 N CA 0.568 53.664 53.050 0.077 0.000 0.900 208 N CB 0.296 38.818 38.487 0.058 0.000 1.089 208 N HN 0.763 nan 8.380 nan 0.000 0.449 209 W N 4.392 125.627 121.300 -0.108 0.000 2.342 209 W HA -0.173 4.488 4.660 0.001 0.000 0.297 209 W C 1.003 177.406 176.519 -0.194 0.000 1.213 209 W CA 0.639 57.853 57.345 -0.218 0.000 1.251 209 W CB -0.637 28.801 29.460 -0.037 0.000 1.136 209 W HN 0.555 nan 8.180 nan 0.000 0.526 210 R N 0.358 120.092 120.500 -1.275 0.000 2.083 210 R HA -0.176 4.165 4.340 0.001 0.000 0.237 210 R C 2.349 178.372 176.300 -0.461 0.000 1.137 210 R CA 2.121 57.554 56.100 -1.112 0.000 0.951 210 R CB -0.539 29.101 30.300 -1.099 0.000 0.851 210 R HN 0.114 nan 8.270 nan 0.000 0.434 211 I N 0.674 121.009 120.570 -0.392 0.000 2.361 211 I HA -0.179 3.991 4.170 0.001 0.000 0.251 211 I C 2.381 178.256 176.117 -0.402 0.000 1.133 211 I CA 1.200 62.266 61.300 -0.390 0.000 1.413 211 I CB -1.276 36.514 38.000 -0.350 0.000 1.073 211 I HN 0.182 nan 8.210 nan 0.000 0.424 212 A N -0.243 122.309 122.820 -0.446 0.000 1.897 212 A HA -0.223 4.097 4.320 0.001 0.000 0.215 212 A C 2.627 179.726 177.584 -0.808 0.000 1.181 212 A CA 1.457 53.193 52.037 -0.501 0.000 0.620 212 A CB -1.203 17.437 19.000 -0.600 0.000 0.821 212 A HN 0.525 nan 8.150 nan 0.000 0.443 213 C N 0.266 119.014 119.300 -0.920 0.000 2.429 213 C HA -0.091 4.370 4.460 0.001 0.000 0.277 213 C C 2.453 176.970 174.990 -0.788 0.000 1.262 213 C CA 1.517 59.804 59.018 -1.218 0.000 1.733 213 C CB -1.336 26.151 27.740 -0.422 0.000 2.010 213 C HN 0.685 nan 8.230 nan 0.000 0.483 214 E N 0.459 120.305 120.200 -0.590 0.000 2.333 214 E HA -0.188 4.162 4.350 0.001 0.000 0.198 214 E C 1.990 177.999 176.600 -0.985 0.000 1.007 214 E CA 0.876 56.821 56.400 -0.758 0.000 0.845 214 E CB -0.401 29.068 29.700 -0.385 0.000 0.766 214 E HN 0.731 nan 8.360 nan 0.000 0.507 215 N N 1.267 119.512 118.700 -0.758 0.000 2.084 215 N HA -0.139 4.602 4.740 0.001 0.000 0.190 215 N C 2.052 176.999 175.510 -0.938 0.000 1.030 215 N CA 1.575 54.173 53.050 -0.753 0.000 0.849 215 N CB -0.282 37.871 38.487 -0.556 0.000 1.012 215 N HN 0.162 nan 8.380 nan 0.000 0.423 216 G N 0.435 108.846 108.800 -0.647 0.000 2.469 216 G HA2 -0.236 3.724 3.960 0.001 0.000 0.220 216 G HA3 -0.236 3.724 3.960 0.001 0.000 0.220 216 G C 1.064 175.819 174.900 -0.241 0.000 1.136 216 G CA 1.080 45.971 45.100 -0.349 0.000 0.759 216 G HN 0.557 nan 8.290 nan 0.000 0.562 217 F N -0.326 119.475 119.950 -0.248 0.000 2.684 217 F HA 0.453 4.981 4.527 0.001 0.000 0.298 217 F C -0.167 175.551 175.800 -0.137 0.000 1.120 217 F CA -1.679 56.213 58.000 -0.180 0.000 1.332 217 F CB 0.048 38.926 39.000 -0.203 0.000 0.986 217 F HN -0.144 nan 8.300 nan 0.000 0.524 218 D N 1.822 122.013 120.400 -0.349 0.000 2.313 218 D HA 0.082 4.723 4.640 0.001 0.000 0.239 218 D C 0.292 176.655 176.300 0.103 0.000 1.142 218 D CA -0.040 53.867 54.000 -0.156 0.000 0.847 218 D CB 0.682 41.328 40.800 -0.257 0.000 1.082 218 D HN 0.202 nan 8.370 nan 0.000 0.480 219 N N 2.490 121.194 118.700 0.007 0.000 2.461 219 N HA -0.013 4.728 4.740 0.001 0.000 0.188 219 N C 0.785 176.326 175.510 0.051 0.000 1.134 219 N CA 0.078 53.118 53.050 -0.018 0.000 0.878 219 N CB 0.722 39.065 38.487 -0.241 0.000 0.972 219 N HN 0.436 nan 8.380 nan 0.000 0.456 220 A N 0.271 123.140 122.820 0.082 0.000 2.229 220 A HA -0.032 4.289 4.320 0.001 0.000 0.211 220 A C 1.718 179.320 177.584 0.029 0.000 1.193 220 A CA -0.019 52.056 52.037 0.064 0.000 0.879 220 A CB -0.472 18.574 19.000 0.078 0.000 0.911 220 A HN 0.400 nan 8.150 nan 0.000 0.492 221 H N 1.089 120.133 119.070 -0.044 0.000 2.529 221 H HA -0.002 4.555 4.556 0.001 0.000 0.277 221 H C 1.528 176.825 175.328 -0.051 0.000 0.999 221 H CA 1.108 57.112 56.048 -0.073 0.000 1.256 221 H CB -0.556 29.133 29.762 -0.122 0.000 1.402 221 H HN 0.584 nan 8.280 nan 0.000 0.566 222 I N -0.993 119.201 120.570 -0.627 0.000 3.010 222 I HA -0.150 4.020 4.170 0.001 0.000 0.271 222 I C 2.098 178.118 176.117 -0.162 0.000 1.293 222 I CA 0.463 61.516 61.300 -0.413 0.000 1.452 222 I CB -0.550 37.356 38.000 -0.158 0.000 1.082 222 I HN 0.083 nan 8.210 nan 0.000 0.484 223 L N 1.387 122.525 121.223 -0.143 0.000 2.131 223 L HA -0.104 4.237 4.340 0.001 0.000 0.210 223 L C 2.351 179.150 176.870 -0.118 0.000 1.092 223 L CA 1.605 56.401 54.840 -0.074 0.000 0.759 223 L CB -0.455 41.574 42.059 -0.049 0.000 0.903 223 L HN 0.147 nan 8.230 nan 0.000 0.435 224 V N -0.487 119.284 119.914 -0.239 0.000 2.688 224 V HA -0.273 3.848 4.120 0.001 0.000 0.256 224 V C 1.871 177.689 176.094 -0.459 0.000 1.084 224 V CA 1.661 63.751 62.300 -0.350 0.000 1.103 224 V CB -1.234 30.314 31.823 -0.459 0.000 0.688 224 V HN 0.577 nan 8.190 nan 0.000 0.480 225 H N 0.201 119.166 119.070 -0.175 0.000 2.549 225 H HA 0.111 4.668 4.556 0.001 0.000 0.279 225 H C 1.981 177.319 175.328 0.018 0.000 1.018 225 H CA 0.446 56.392 56.048 -0.170 0.000 1.175 225 H CB 0.197 29.752 29.762 -0.346 0.000 1.485 225 H HN 0.612 nan 8.280 nan 0.000 0.543 226 K N 0.537 121.000 120.400 0.104 0.000 2.160 226 K HA -0.138 4.183 4.320 0.001 0.000 0.206 226 K C 0.495 177.252 176.600 0.262 0.000 1.047 226 K CA 1.857 58.234 56.287 0.151 0.000 0.930 226 K CB 0.134 32.692 32.500 0.096 0.000 0.720 226 K HN -0.002 nan 8.250 nan 0.000 0.450 227 D N 0.022 120.544 120.400 0.202 0.000 2.369 227 D HA 0.059 4.700 4.640 0.001 0.000 0.211 227 D C -0.489 175.947 176.300 0.226 0.000 1.077 227 D CA -0.152 53.977 54.000 0.214 0.000 0.842 227 D CB -0.087 40.749 40.800 0.061 0.000 0.947 227 D HN 0.143 nan 8.370 nan 0.000 0.509 228 N N 0.761 119.613 118.700 0.254 0.000 2.458 228 N HA -0.017 4.724 4.740 0.001 0.000 0.258 228 N C 1.356 177.029 175.510 0.272 0.000 1.219 228 N CA 0.363 53.561 53.050 0.246 0.000 0.902 228 N CB 0.936 39.618 38.487 0.324 0.000 1.076 228 N HN -0.076 nan 8.380 nan 0.000 0.455 229 T N 1.638 116.298 114.554 0.176 0.000 2.720 229 T HA -0.167 4.184 4.350 0.001 0.000 0.268 229 T C 1.869 176.598 174.700 0.048 0.000 1.037 229 T CA 0.754 62.924 62.100 0.117 0.000 1.144 229 T CB -0.137 68.765 68.868 0.057 0.000 0.864 229 T HN 0.565 nan 8.240 nan 0.000 0.444 230 I N 1.040 121.608 120.570 -0.004 0.000 2.361 230 I HA -0.169 4.002 4.170 0.001 0.000 0.251 230 I C 2.189 177.999 176.117 -0.511 0.000 1.133 230 I CA 1.016 62.161 61.300 -0.259 0.000 1.413 230 I CB -0.085 37.750 38.000 -0.275 0.000 1.073 230 I HN 0.056 nan 8.210 nan 0.000 0.424 231 V N 0.727 120.510 119.914 -0.217 0.000 2.332 231 V HA -0.328 3.792 4.120 0.001 0.000 0.248 231 V C 2.112 177.988 176.094 -0.363 0.000 1.055 231 V CA 2.369 64.537 62.300 -0.220 0.000 1.038 231 V CB -1.091 30.732 31.823 0.000 0.000 0.651 231 V HN 0.536 nan 8.190 nan 0.000 0.450 232 H N -0.511 118.510 119.070 -0.081 0.000 2.525 232 H HA 0.310 4.867 4.556 0.001 0.000 0.275 232 H C 2.087 177.348 175.328 -0.111 0.000 0.984 232 H CA 0.920 56.932 56.048 -0.061 0.000 1.264 232 H CB -0.146 29.604 29.762 -0.019 0.000 1.432 232 H HN 0.426 nan 8.280 nan 0.000 0.549 233 A N 0.696 123.464 122.820 -0.086 0.000 1.930 233 A HA -0.036 4.285 4.320 0.001 0.000 0.215 233 A C 1.858 179.321 177.584 -0.202 0.000 1.176 233 A CA 0.982 52.947 52.037 -0.120 0.000 0.632 233 A CB -0.038 18.882 19.000 -0.133 0.000 0.819 233 A HN 0.200 nan 8.150 nan 0.000 0.445 234 M N -1.285 118.072 119.600 -0.406 0.000 2.541 234 M HA 0.065 4.546 4.480 0.001 0.000 0.252 234 M C 0.471 176.622 176.300 -0.249 0.000 1.125 234 M CA 0.958 55.976 55.300 -0.471 0.000 1.091 234 M CB -0.883 31.008 32.600 -1.182 0.000 1.420 234 M HN 0.505 nan 8.290 nan 0.000 0.486 235 D N 0.161 120.451 120.400 -0.183 0.000 2.772 235 D HA -0.173 4.467 4.640 0.001 0.000 0.233 235 D C -0.694 175.664 176.300 0.097 0.000 1.143 235 D CA 0.340 54.323 54.000 -0.029 0.000 0.700 235 D CB -0.490 40.317 40.800 0.013 0.000 1.076 235 D HN 0.224 nan 8.370 nan 0.000 0.430 236 W N -0.632 120.633 121.300 -0.058 0.000 2.042 236 W HA 0.338 4.998 4.660 0.001 0.000 0.358 236 W C 0.935 177.442 176.519 -0.020 0.000 1.325 236 W CA -0.527 56.791 57.345 -0.046 0.000 1.311 236 W CB 0.077 29.508 29.460 -0.048 0.000 1.210 236 W HN -0.126 nan 8.180 nan 0.000 0.620 237 V N 4.091 124.149 119.914 0.241 0.000 2.220 237 V HA 0.120 4.241 4.120 0.001 0.000 0.265 237 V C -0.435 175.759 176.094 0.167 0.000 1.078 237 V CA -0.693 61.699 62.300 0.153 0.000 0.872 237 V CB 0.092 31.979 31.823 0.106 0.000 1.121 237 V HN 0.221 nan 8.190 nan 0.000 0.460 238 L N 8.179 129.520 121.223 0.196 0.000 2.264 238 L HA 0.604 4.944 4.340 0.001 0.000 0.287 238 L C -1.797 175.165 176.870 0.154 0.000 1.039 238 L CA -1.745 53.222 54.840 0.212 0.000 0.829 238 L CB 1.293 43.521 42.059 0.282 0.000 1.211 238 L HN 0.311 nan 8.230 nan 0.000 0.427 239 P HA 0.036 nan 4.420 nan 0.000 0.271 239 P C 1.020 178.369 177.300 0.082 0.000 1.233 239 P CA -0.238 62.917 63.100 0.092 0.000 0.789 239 P CB 1.015 32.757 31.700 0.069 0.000 0.951 240 L N -0.343 120.919 121.223 0.065 0.000 2.127 240 L HA 0.021 4.362 4.340 0.001 0.000 0.211 240 L C 1.514 178.408 176.870 0.040 0.000 1.089 240 L CA 1.819 56.689 54.840 0.050 0.000 0.757 240 L CB -0.872 41.214 42.059 0.045 0.000 0.899 240 L HN 0.649 nan 8.230 nan 0.000 0.434 241 G N -1.285 107.546 108.800 0.051 0.000 2.441 241 G HA2 0.498 4.459 3.960 0.001 0.000 0.294 241 G HA3 0.498 4.459 3.960 0.001 0.000 0.294 241 G C -1.812 173.135 174.900 0.079 0.000 1.393 241 G CA -0.777 44.356 45.100 0.055 0.000 0.796 241 G HN -0.116 nan 8.290 nan 0.000 0.494 242 L N -0.201 121.092 121.223 0.116 0.000 2.354 242 L HA 0.709 5.050 4.340 0.001 0.000 0.269 242 L C -0.617 176.468 176.870 0.358 0.000 1.005 242 L CA -0.910 54.049 54.840 0.200 0.000 0.819 242 L CB 2.196 44.348 42.059 0.154 0.000 1.311 242 L HN 0.318 nan 8.230 nan 0.000 0.423 243 L N 3.481 124.914 121.223 0.349 0.000 2.365 243 L HA 0.555 4.896 4.340 0.001 0.000 0.273 243 L C -2.357 174.518 176.870 0.008 0.000 1.000 243 L CA -1.752 53.225 54.840 0.229 0.000 0.819 243 L CB 2.810 44.925 42.059 0.093 0.000 1.284 243 L HN 0.306 nan 8.230 nan 0.000 0.418 244 P HA 0.109 nan 4.420 nan 0.000 0.281 244 P C 0.059 177.115 177.300 -0.408 0.000 1.252 244 P CA -0.267 62.294 63.100 -0.898 0.000 0.778 244 P CB 1.368 32.536 31.700 -0.886 0.000 0.895 245 T N -1.344 112.987 114.554 -0.372 0.000 3.023 245 T HA 0.205 4.556 4.350 0.001 0.000 0.253 245 T C 0.605 175.213 174.700 -0.154 0.000 1.038 245 T CA 0.010 61.997 62.100 -0.189 0.000 0.962 245 T CB -0.228 68.565 68.868 -0.125 0.000 1.018 245 T HN 0.546 nan 8.240 nan 0.000 0.521 246 S N -0.423 115.162 115.700 -0.191 0.000 2.596 246 S HA 0.497 4.968 4.470 0.001 0.000 0.270 246 S C -0.583 173.959 174.600 -0.097 0.000 1.155 246 S CA -0.707 57.426 58.200 -0.113 0.000 0.827 246 S CB 1.558 64.707 63.200 -0.084 0.000 1.130 246 S HN -0.118 nan 8.310 nan 0.000 0.467 247 D N 0.992 121.369 120.400 -0.040 0.000 2.312 247 D HA 0.018 4.659 4.640 0.001 0.000 0.211 247 D C 0.571 176.896 176.300 0.041 0.000 0.964 247 D CA 1.278 55.277 54.000 -0.002 0.000 0.877 247 D CB -0.136 40.672 40.800 0.014 0.000 0.924 247 D HN 0.756 nan 8.370 nan 0.000 0.515 248 D N -0.277 120.152 120.400 0.049 0.000 2.525 248 D HA -0.034 4.607 4.640 0.001 0.000 0.229 248 D C 1.592 178.036 176.300 0.240 0.000 1.202 248 D CA -0.214 53.866 54.000 0.134 0.000 0.828 248 D CB -1.295 39.566 40.800 0.102 0.000 1.008 248 D HN 0.219 nan 8.370 nan 0.000 0.493 249 C N -0.611 118.773 119.300 0.141 0.000 2.430 249 C HA 0.264 4.725 4.460 0.001 0.000 0.288 249 C C 0.836 176.162 174.990 0.560 0.000 1.448 249 C CA -0.536 58.593 59.018 0.184 0.000 1.784 249 C CB -1.384 26.086 27.740 -0.449 0.000 1.776 249 C HN 0.318 nan 8.230 nan 0.000 0.547 250 I N 0.971 121.788 120.570 0.412 0.000 2.533 250 I HA 0.547 4.718 4.170 0.001 0.000 0.290 250 I C -0.050 176.213 176.117 0.242 0.000 1.056 250 I CA -0.467 61.006 61.300 0.290 0.000 1.057 250 I CB 1.718 39.878 38.000 0.267 0.000 1.240 250 I HN 0.123 nan 8.210 nan 0.000 0.423 251 A N 6.542 129.427 122.820 0.107 0.000 2.260 251 A HA 0.679 5.000 4.320 0.001 0.000 0.308 251 A C -0.482 177.167 177.584 0.107 0.000 1.254 251 A CA -0.442 51.719 52.037 0.205 0.000 0.874 251 A CB 0.716 19.918 19.000 0.336 0.000 1.153 251 A HN 0.450 nan 8.150 nan 0.000 0.527 252 V N 3.797 123.794 119.914 0.139 0.000 2.432 252 V HA 0.339 4.460 4.120 0.001 0.000 0.275 252 V C -0.049 176.109 176.094 0.107 0.000 1.043 252 V CA -0.308 62.066 62.300 0.123 0.000 0.925 252 V CB 1.258 33.163 31.823 0.138 0.000 0.985 252 V HN 0.598 nan 8.190 nan 0.000 0.466 253 V N 5.430 125.407 119.914 0.105 0.000 2.448 253 V HA 0.500 4.621 4.120 0.001 0.000 0.295 253 V C 0.266 176.327 176.094 -0.054 0.000 1.025 253 V CA -0.444 61.898 62.300 0.070 0.000 0.859 253 V CB 1.600 33.509 31.823 0.142 0.000 0.988 253 V HN 1.057 nan 8.190 nan 0.000 0.431 254 E N 1.318 121.406 120.200 -0.188 0.000 3.918 254 E HA 0.280 4.630 4.350 0.001 0.000 0.183 254 E C -1.219 175.058 176.600 -0.538 0.000 1.021 254 E CA -0.612 55.441 56.400 -0.579 0.000 1.431 254 E CB 0.449 29.752 29.700 -0.662 0.000 1.140 254 E HN 0.643 nan 8.360 nan 0.000 0.435 255 D N 2.751 122.970 120.400 -0.302 0.000 2.304 255 D HA -0.022 4.619 4.640 0.001 0.000 0.250 255 D C 1.190 177.332 176.300 -0.264 0.000 1.107 255 D CA -0.231 53.641 54.000 -0.212 0.000 0.885 255 D CB 1.187 41.916 40.800 -0.117 0.000 1.192 255 D HN 0.182 nan 8.370 nan 0.000 0.436 256 D N 1.652 121.947 120.400 -0.175 0.000 2.160 256 D HA -0.285 4.356 4.640 0.001 0.000 0.189 256 D C 0.375 176.563 176.300 -0.187 0.000 1.003 256 D CA 1.170 55.097 54.000 -0.122 0.000 0.846 256 D CB -0.155 40.642 40.800 -0.006 0.000 0.949 256 D HN 0.368 nan 8.370 nan 0.000 0.446 257 D N 0.852 121.165 120.400 -0.146 0.000 2.441 257 D HA 0.429 5.070 4.640 0.001 0.000 0.221 257 D C 0.360 176.492 176.300 -0.280 0.000 1.156 257 D CA 0.444 54.345 54.000 -0.165 0.000 0.896 257 D CB 0.462 41.266 40.800 0.007 0.000 1.028 257 D HN 0.461 nan 8.370 nan 0.000 0.509 258 G N 3.528 111.911 108.800 -0.696 0.000 2.351 258 G HA2 -0.017 3.943 3.960 0.001 0.000 0.353 258 G HA3 -0.017 3.943 3.960 0.001 0.000 0.353 258 G C -3.147 171.519 174.900 -0.390 0.000 1.358 258 G CA -1.103 43.771 45.100 -0.378 0.000 0.995 258 G HN 0.261 nan 8.290 nan 0.000 0.611 259 P HA 0.313 nan 4.420 nan 0.000 0.269 259 P C -0.727 176.467 177.300 -0.177 0.000 1.215 259 P CA -0.041 62.917 63.100 -0.237 0.000 0.780 259 P CB 0.491 31.897 31.700 -0.490 0.000 0.898 260 K N 2.219 122.518 120.400 -0.169 0.000 2.367 260 K HA 0.716 5.037 4.320 0.001 0.000 0.263 260 K C 0.372 176.957 176.600 -0.026 0.000 1.000 260 K CA -0.272 55.912 56.287 -0.172 0.000 0.891 260 K CB 1.418 33.789 32.500 -0.216 0.000 1.117 260 K HN 0.779 nan 8.250 nan 0.000 0.443 261 G N 1.487 110.341 108.800 0.090 0.000 2.450 261 G HA2 0.494 4.455 3.960 0.001 0.000 0.273 261 G HA3 0.494 4.455 3.960 0.001 0.000 0.273 261 G C -1.416 173.628 174.900 0.240 0.000 1.221 261 G CA -0.745 44.453 45.100 0.165 0.000 0.900 261 G HN 0.447 nan 8.290 nan 0.000 0.483 262 M N -1.617 118.089 119.600 0.176 0.000 2.531 262 M HA 0.902 5.383 4.480 0.001 0.000 0.286 262 M C -1.379 174.886 176.300 -0.060 0.000 1.232 262 M CA -1.082 54.257 55.300 0.065 0.000 0.877 262 M CB 2.542 35.162 32.600 0.033 0.000 1.726 262 M HN 0.638 nan 8.290 nan 0.000 0.463 263 M N 2.475 121.911 119.600 -0.272 0.000 2.253 263 M HA 0.447 4.928 4.480 0.001 0.000 0.314 263 M C -1.673 174.328 176.300 -0.498 0.000 1.019 263 M CA 0.006 54.990 55.300 -0.527 0.000 0.932 263 M CB 2.356 34.282 32.600 -1.123 0.000 1.606 263 M HN 0.765 nan 8.290 nan 0.000 0.430 264 Q N 3.802 123.400 119.800 -0.337 0.000 2.278 264 Q HA 0.243 4.583 4.340 0.001 0.000 0.257 264 Q C -1.166 174.760 176.000 -0.124 0.000 0.928 264 Q CA -0.042 55.671 55.803 -0.150 0.000 0.932 264 Q CB 0.946 29.588 28.738 -0.159 0.000 1.221 264 Q HN 0.815 nan 8.270 nan 0.000 0.434 265 W N 4.189 125.710 121.300 0.368 0.000 1.303 265 W HA 0.171 4.831 4.660 0.001 0.000 0.478 265 W C -0.222 176.541 176.519 0.407 0.000 0.604 265 W CA -0.464 57.097 57.345 0.360 0.000 2.319 265 W CB -0.222 29.434 29.460 0.327 0.000 1.443 265 W HN 0.348 nan 8.180 nan 0.000 0.249 266 L N 1.497 122.936 121.223 0.360 0.000 2.452 266 L HA 0.141 4.481 4.340 0.001 0.000 0.267 266 L C 0.576 177.738 176.870 0.487 0.000 1.188 266 L CA -0.617 54.362 54.840 0.231 0.000 0.821 266 L CB -0.042 42.046 42.059 0.049 0.000 1.102 266 L HN 0.231 nan 8.230 nan 0.000 0.470 267 F N -0.212 119.851 119.950 0.188 0.000 3.040 267 F HA -0.225 4.303 4.527 0.001 0.000 0.298 267 F C 0.503 176.409 175.800 0.177 0.000 0.948 267 F CA 0.934 59.047 58.000 0.189 0.000 1.022 267 F CB -2.027 37.119 39.000 0.243 0.000 1.023 267 F HN 0.750 nan 8.300 nan 0.000 0.742 268 T N -4.708 109.998 114.554 0.254 0.000 2.792 268 T HA 0.444 4.795 4.350 0.001 0.000 0.303 268 T C 0.580 175.359 174.700 0.132 0.000 1.310 268 T CA -0.380 61.828 62.100 0.179 0.000 1.007 268 T CB 1.904 70.892 68.868 0.200 0.000 1.335 268 T HN -0.041 nan 8.240 nan 0.000 0.504 269 D N 0.094 120.532 120.400 0.063 0.000 2.378 269 D HA -0.034 4.606 4.640 0.001 0.000 0.222 269 D C 1.247 177.556 176.300 0.014 0.000 0.980 269 D CA 0.392 54.412 54.000 0.032 0.000 0.907 269 D CB -0.053 40.747 40.800 -0.001 0.000 0.899 269 D HN 0.631 nan 8.370 nan 0.000 0.527 270 K N -0.659 119.765 120.400 0.040 0.000 2.365 270 K HA -0.036 4.285 4.320 0.001 0.000 0.199 270 K C -0.070 176.374 176.600 -0.261 0.000 1.045 270 K CA 0.523 56.771 56.287 -0.066 0.000 0.962 270 K CB 0.080 32.610 32.500 0.050 0.000 0.759 270 K HN 0.184 nan 8.250 nan 0.000 0.469 271 W N 0.682 122.016 121.300 0.057 0.000 2.521 271 W HA 0.386 5.047 4.660 0.001 0.000 0.310 271 W C -1.060 175.436 176.519 -0.038 0.000 1.000 271 W CA -0.789 56.568 57.345 0.020 0.000 1.353 271 W CB 1.264 30.735 29.460 0.018 0.000 1.276 271 W HN -0.158 nan 8.180 nan 0.000 0.417 272 A N 6.099 129.008 122.820 0.149 0.000 2.320 272 A HA 0.661 4.981 4.320 0.001 0.000 0.287 272 A C -2.198 175.434 177.584 0.080 0.000 1.181 272 A CA -1.420 50.663 52.037 0.077 0.000 0.831 272 A CB 0.124 19.147 19.000 0.039 0.000 1.102 272 A HN 0.299 nan 8.150 nan 0.000 0.513 273 P HA 0.282 nan 4.420 nan 0.000 0.278 273 P C -0.769 176.553 177.300 0.037 0.000 1.238 273 P CA -0.168 62.939 63.100 0.012 0.000 0.794 273 P CB 1.428 33.101 31.700 -0.045 0.000 0.955 274 V N 4.811 124.754 119.914 0.048 0.000 2.293 274 V HA 0.088 4.208 4.120 0.001 0.000 0.275 274 V C 1.071 177.194 176.094 0.049 0.000 1.021 274 V CA -0.134 62.195 62.300 0.048 0.000 0.815 274 V CB 0.778 32.633 31.823 0.053 0.000 1.025 274 V HN 0.389 nan 8.190 nan 0.000 0.448 275 L N 3.624 124.875 121.223 0.048 0.000 2.607 275 L HA 0.444 4.785 4.340 0.001 0.000 0.228 275 L C 0.714 177.614 176.870 0.051 0.000 1.123 275 L CA 0.793 55.666 54.840 0.054 0.000 0.890 275 L CB -0.209 41.883 42.059 0.056 0.000 1.103 275 L HN 0.733 nan 8.230 nan 0.000 0.468 276 E N -0.224 120.003 120.200 0.044 0.000 2.388 276 E HA 0.253 4.604 4.350 0.001 0.000 0.280 276 E C -1.349 175.271 176.600 0.034 0.000 1.019 276 E CA -0.537 55.888 56.400 0.040 0.000 0.806 276 E CB 1.351 31.074 29.700 0.038 0.000 1.246 276 E HN 0.045 nan 8.360 nan 0.000 0.443 277 N N 2.346 121.065 118.700 0.031 0.000 2.732 277 N HA 0.094 4.834 4.740 0.001 0.000 0.247 277 N C 0.116 175.640 175.510 0.023 0.000 1.305 277 N CA 0.060 53.126 53.050 0.026 0.000 0.762 277 N CB 0.807 39.309 38.487 0.025 0.000 1.361 277 N HN 0.433 nan 8.380 nan 0.000 0.545 278 Q N 0.676 120.490 119.800 0.022 0.000 2.135 278 Q HA -0.253 4.087 4.340 0.001 0.000 0.204 278 Q C 1.384 177.394 176.000 0.016 0.000 0.981 278 Q CA 1.526 57.341 55.803 0.020 0.000 0.856 278 Q CB 0.037 28.786 28.738 0.019 0.000 0.902 278 Q HN 0.676 nan 8.270 nan 0.000 0.425 279 E N 0.652 120.861 120.200 0.015 0.000 2.209 279 E HA -0.182 4.168 4.350 0.001 0.000 0.196 279 E C 1.166 177.772 176.600 0.011 0.000 0.993 279 E CA 0.820 57.228 56.400 0.012 0.000 0.819 279 E CB 0.115 29.822 29.700 0.012 0.000 0.745 279 E HN 0.359 nan 8.360 nan 0.000 0.477 280 L N -1.024 120.207 121.223 0.013 0.000 2.766 280 L HA 0.316 4.657 4.340 0.001 0.000 0.242 280 L C 1.074 177.952 176.870 0.013 0.000 1.136 280 L CA 0.176 55.023 54.840 0.011 0.000 0.933 280 L CB 0.736 42.802 42.059 0.011 0.000 1.241 280 L HN 0.296 nan 8.230 nan 0.000 0.522 281 G N 1.423 110.232 108.800 0.016 0.000 2.198 281 G HA2 -0.269 3.692 3.960 0.001 0.000 0.257 281 G HA3 -0.269 3.692 3.960 0.001 0.000 0.257 281 G C -0.093 174.821 174.900 0.024 0.000 1.042 281 G CA 0.071 45.181 45.100 0.018 0.000 0.791 281 G HN 0.246 nan 8.290 nan 0.000 0.502 282 L N -0.675 120.565 121.223 0.027 0.000 2.325 282 L HA 0.820 5.160 4.340 0.001 0.000 0.278 282 L C 0.309 177.204 176.870 0.041 0.000 1.023 282 L CA -0.885 53.976 54.840 0.036 0.000 0.811 282 L CB 2.210 44.290 42.059 0.035 0.000 1.249 282 L HN 0.166 nan 8.230 nan 0.000 0.431 283 K N 2.108 122.538 120.400 0.050 0.000 2.606 283 K HA 0.304 4.624 4.320 0.001 0.000 0.259 283 K C -1.619 175.021 176.600 0.066 0.000 1.001 283 K CA -0.577 55.742 56.287 0.053 0.000 0.881 283 K CB 1.982 34.510 32.500 0.047 0.000 1.288 283 K HN 0.299 nan 8.250 nan 0.000 0.452 284 V N 4.972 124.927 119.914 0.068 0.000 2.381 284 V HA 0.086 4.207 4.120 0.001 0.000 0.257 284 V C 0.028 176.166 176.094 0.074 0.000 1.057 284 V CA 0.028 62.374 62.300 0.077 0.000 1.013 284 V CB 0.412 32.283 31.823 0.080 0.000 1.069 284 V HN 0.603 nan 8.190 nan 0.000 0.484 285 E N 4.240 124.487 120.200 0.078 0.000 2.115 285 E HA 0.662 5.013 4.350 0.001 0.000 0.282 285 E C 0.351 176.994 176.600 0.073 0.000 0.987 285 E CA -0.085 56.359 56.400 0.073 0.000 0.797 285 E CB 2.080 31.826 29.700 0.076 0.000 1.086 285 E HN 0.814 nan 8.360 nan 0.000 0.397 286 G N 1.688 110.531 108.800 0.073 0.000 2.473 286 G HA2 0.299 4.260 3.960 0.001 0.000 0.298 286 G HA3 0.299 4.260 3.960 0.001 0.000 0.298 286 G C -0.200 174.750 174.900 0.082 0.000 1.575 286 G CA -0.700 44.447 45.100 0.080 0.000 0.846 286 G HN 0.401 nan 8.290 nan 0.000 0.585 287 L N -0.341 120.931 121.223 0.082 0.000 2.781 287 L HA 0.342 4.683 4.340 0.001 0.000 0.245 287 L C 1.101 178.021 176.870 0.083 0.000 1.118 287 L CA -0.187 54.698 54.840 0.076 0.000 0.918 287 L CB 0.461 42.557 42.059 0.063 0.000 1.246 287 L HN 0.372 nan 8.230 nan 0.000 0.526 288 K N 2.370 122.836 120.400 0.111 0.000 2.315 288 K HA 0.289 4.609 4.320 0.001 0.000 0.291 288 K C 0.492 177.140 176.600 0.080 0.000 1.074 288 K CA -0.095 56.269 56.287 0.129 0.000 0.936 288 K CB 0.615 33.250 32.500 0.225 0.000 1.049 288 K HN 0.079 nan 8.250 nan 0.000 0.471 289 G N 3.407 112.205 108.800 -0.004 0.000 2.380 289 G HA2 0.119 4.079 3.960 0.001 0.000 0.242 289 G HA3 0.119 4.079 3.960 0.001 0.000 0.242 289 G C -0.683 173.992 174.900 -0.375 0.000 1.298 289 G CA -0.346 44.653 45.100 -0.168 0.000 0.878 289 G HN 0.586 nan 8.290 nan 0.000 0.542 290 R N 1.128 121.331 120.500 -0.496 0.000 2.412 290 R HA 0.268 4.609 4.340 0.001 0.000 0.304 290 R C -0.740 175.243 176.300 -0.528 0.000 1.066 290 R CA -0.612 55.138 56.100 -0.583 0.000 0.923 290 R CB 0.115 29.980 30.300 -0.724 0.000 1.156 290 R HN 0.648 nan 8.270 nan 0.000 0.513 291 H N 4.636 123.451 119.070 -0.425 0.000 2.467 291 H HA 0.361 4.918 4.556 0.001 0.000 0.326 291 H C -0.616 174.194 175.328 -0.864 0.000 1.094 291 H CA -0.272 55.189 56.048 -0.978 0.000 1.253 291 H CB 1.172 30.590 29.762 -0.574 0.000 1.439 291 H HN 0.656 nan 8.280 nan 0.000 0.479 292 Y N -0.172 119.535 120.300 -0.988 0.000 2.689 292 Y HA 0.604 5.155 4.550 0.001 0.000 0.333 292 Y C -1.271 174.291 175.900 -0.564 0.000 1.208 292 Y CA -1.353 56.251 58.100 -0.827 0.000 1.055 292 Y CB 1.760 40.055 38.460 -0.275 0.000 1.304 292 Y HN 0.529 nan 8.280 nan 0.000 0.455 293 R N 1.138 121.427 120.500 -0.351 0.000 2.535 293 R HA 0.608 4.949 4.340 0.001 0.000 0.274 293 R C -1.648 174.620 176.300 -0.054 0.000 1.090 293 R CA -0.407 55.632 56.100 -0.101 0.000 0.930 293 R CB 2.013 32.365 30.300 0.087 0.000 1.223 293 R HN 1.065 nan 8.270 nan 0.000 0.441 294 T N 0.204 114.740 114.554 -0.030 0.000 2.895 294 T HA 0.731 5.081 4.350 0.001 0.000 0.283 294 T C -0.310 174.326 174.700 -0.106 0.000 1.014 294 T CA -0.614 61.450 62.100 -0.061 0.000 1.037 294 T CB 1.649 70.509 68.868 -0.013 0.000 1.006 294 T HN 0.599 nan 8.240 nan 0.000 0.468 295 S N 0.331 115.959 115.700 -0.121 0.000 2.570 295 S HA 0.758 5.229 4.470 0.001 0.000 0.270 295 S C -1.294 173.165 174.600 -0.235 0.000 1.149 295 S CA -0.870 57.235 58.200 -0.160 0.000 0.837 295 S CB 1.678 64.839 63.200 -0.064 0.000 1.124 295 S HN 1.306 nan 8.310 nan 0.000 0.465 296 V N 1.451 121.162 119.914 -0.339 0.000 2.888 296 V HA 0.888 5.008 4.120 0.001 0.000 0.309 296 V C -1.052 174.873 176.094 -0.283 0.000 1.114 296 V CA -0.175 61.852 62.300 -0.456 0.000 0.940 296 V CB 1.702 32.929 31.823 -0.994 0.000 1.021 296 V HN 1.689 nan 8.190 nan 0.000 0.426 297 V N 4.109 123.880 119.914 -0.239 0.000 3.040 297 V HA 0.677 4.798 4.120 0.001 0.000 0.312 297 V C -0.366 175.794 176.094 0.110 0.000 1.115 297 V CA -1.094 61.148 62.300 -0.097 0.000 0.998 297 V CB 1.850 33.458 31.823 -0.359 0.000 1.042 297 V HN 0.891 nan 8.190 nan 0.000 0.433 298 L N 3.446 124.811 121.223 0.237 0.000 2.483 298 L HA 0.289 4.630 4.340 0.001 0.000 0.276 298 L C -1.171 175.752 176.870 0.089 0.000 1.213 298 L CA -0.982 54.005 54.840 0.245 0.000 0.843 298 L CB 1.103 43.241 42.059 0.132 0.000 1.107 298 L HN 0.614 nan 8.230 nan 0.000 0.487 299 P HA 0.064 nan 4.420 nan 0.000 0.253 299 P C 0.354 177.899 177.300 0.408 0.000 1.281 299 P CA 0.540 63.608 63.100 -0.053 0.000 0.792 299 P CB 0.478 31.892 31.700 -0.477 0.000 1.193 300 G N -0.853 108.179 108.800 0.386 0.000 2.614 300 G HA2 0.010 3.971 3.960 0.001 0.000 0.223 300 G HA3 0.010 3.971 3.960 0.001 0.000 0.223 300 G C -0.848 174.132 174.900 0.133 0.000 1.171 300 G CA -0.719 44.583 45.100 0.336 0.000 0.938 300 G HN 0.083 nan 8.290 nan 0.000 0.561 301 V N 1.112 120.951 119.914 -0.126 0.000 2.384 301 V HA 0.734 4.854 4.120 0.001 0.000 0.287 301 V C 0.396 176.299 176.094 -0.318 0.000 1.020 301 V CA -1.026 61.036 62.300 -0.398 0.000 0.850 301 V CB 1.637 33.107 31.823 -0.589 0.000 0.987 301 V HN 0.618 nan 8.190 nan 0.000 0.436 302 L N 5.455 126.540 121.223 -0.230 0.000 2.334 302 L HA 0.725 5.065 4.340 0.001 0.000 0.277 302 L C -0.328 176.470 176.870 -0.120 0.000 1.075 302 L CA 0.015 54.784 54.840 -0.118 0.000 0.804 302 L CB 1.293 43.386 42.059 0.056 0.000 1.174 302 L HN 0.827 nan 8.230 nan 0.000 0.438 303 M N 5.335 124.871 119.600 -0.107 0.000 2.326 303 M HA 0.564 5.045 4.480 0.001 0.000 0.306 303 M C -1.832 174.345 176.300 -0.205 0.000 1.054 303 M CA -0.655 54.554 55.300 -0.150 0.000 0.922 303 M CB 1.741 34.347 32.600 0.009 0.000 1.632 303 M HN 0.360 nan 8.290 nan 0.000 0.436 304 V N 4.497 124.227 119.914 -0.307 0.000 2.284 304 V HA 0.328 4.448 4.120 0.001 0.000 0.274 304 V C -0.343 175.584 176.094 -0.278 0.000 1.023 304 V CA -0.698 61.442 62.300 -0.266 0.000 0.808 304 V CB 0.905 32.509 31.823 -0.365 0.000 1.035 304 V HN 0.879 nan 8.190 nan 0.000 0.445 305 E N 2.996 123.010 120.200 -0.310 0.000 2.398 305 E HA 0.112 4.463 4.350 0.001 0.000 0.263 305 E C 0.646 176.898 176.600 -0.581 0.000 1.046 305 E CA -0.002 56.129 56.400 -0.447 0.000 0.908 305 E CB 0.131 29.523 29.700 -0.513 0.000 0.963 305 E HN 0.680 nan 8.360 nan 0.000 0.431 306 N N 1.397 119.769 118.700 -0.546 0.000 2.740 306 N HA -0.176 4.565 4.740 0.001 0.000 0.248 306 N C -1.902 173.415 175.510 -0.321 0.000 1.062 306 N CA 0.609 53.353 53.050 -0.509 0.000 0.704 306 N CB -0.436 37.524 38.487 -0.878 0.000 0.968 306 N HN 0.542 nan 8.380 nan 0.000 0.547 307 W N 0.397 121.446 121.300 -0.418 0.000 2.839 307 W HA 0.445 5.106 4.660 0.001 0.000 0.334 307 W C -2.374 173.937 176.519 -0.348 0.000 1.064 307 W CA -1.766 55.338 57.345 -0.402 0.000 1.236 307 W CB 1.740 30.936 29.460 -0.439 0.000 1.405 307 W HN -0.043 nan 8.180 nan 0.000 0.478 308 P HA 0.083 nan 4.420 nan 0.000 0.255 308 P C -0.393 176.500 177.300 -0.679 0.000 1.248 308 P CA 1.005 63.334 63.100 -1.285 0.000 0.807 308 P CB 1.305 32.449 31.700 -0.927 0.000 1.150 309 E N -0.557 119.412 120.200 -0.384 0.000 2.449 309 E HA 0.268 4.619 4.350 0.001 0.000 0.278 309 E C -0.687 175.809 176.600 -0.174 0.000 0.992 309 E CA -0.947 55.337 56.400 -0.193 0.000 0.807 309 E CB 1.442 31.148 29.700 0.010 0.000 1.350 309 E HN -0.033 nan 8.360 nan 0.000 0.462 310 E N 0.465 120.576 120.200 -0.148 0.000 2.442 310 E HA -0.024 4.327 4.350 0.001 0.000 0.262 310 E C -0.488 175.998 176.600 -0.189 0.000 1.004 310 E CA 0.825 57.077 56.400 -0.246 0.000 0.928 310 E CB 0.097 29.596 29.700 -0.335 0.000 0.937 310 E HN 0.600 nan 8.360 nan 0.000 0.446 311 H N -1.996 117.054 119.070 -0.033 0.000 3.641 311 H HA -0.177 4.379 4.556 0.001 0.000 0.193 311 H C -0.566 174.706 175.328 -0.093 0.000 1.013 311 H CA 0.543 56.565 56.048 -0.043 0.000 1.212 311 H CB -1.071 28.675 29.762 -0.027 0.000 1.089 311 H HN 0.145 nan 8.280 nan 0.000 0.339 312 V N 0.766 120.658 119.914 -0.036 0.000 2.581 312 V HA 0.642 4.762 4.120 0.001 0.000 0.303 312 V C -0.117 175.896 176.094 -0.135 0.000 1.041 312 V CA -0.330 61.918 62.300 -0.088 0.000 0.907 312 V CB 2.113 33.873 31.823 -0.104 0.000 0.994 312 V HN 0.073 nan 8.190 nan 0.000 0.442 313 V N 3.794 123.631 119.914 -0.129 0.000 2.925 313 V HA 0.592 4.713 4.120 0.001 0.000 0.311 313 V C -0.871 175.059 176.094 -0.273 0.000 1.104 313 V CA -0.365 61.788 62.300 -0.246 0.000 0.954 313 V CB 2.098 33.715 31.823 -0.342 0.000 1.022 313 V HN 1.029 nan 8.190 nan 0.000 0.427 314 Q N 3.734 123.343 119.800 -0.318 0.000 2.282 314 Q HA 0.579 4.920 4.340 0.001 0.000 0.260 314 Q C -2.081 173.656 176.000 -0.439 0.000 0.964 314 Q CA -0.521 55.150 55.803 -0.219 0.000 0.880 314 Q CB 1.860 30.565 28.738 -0.054 0.000 1.286 314 Q HN 0.789 nan 8.270 nan 0.000 0.445 315 Y N 1.295 121.586 120.300 -0.015 0.000 2.462 315 Y HA 0.443 4.994 4.550 0.001 0.000 0.346 315 Y C -0.433 175.365 175.900 -0.171 0.000 0.976 315 Y CA -0.817 57.171 58.100 -0.187 0.000 1.044 315 Y CB 2.292 40.609 38.460 -0.238 0.000 1.230 315 Y HN 0.545 nan 8.280 nan 0.000 0.455 316 E N 2.500 122.587 120.200 -0.190 0.000 2.340 316 E HA 0.339 4.690 4.350 0.001 0.000 0.273 316 E C -1.524 174.809 176.600 -0.444 0.000 0.891 316 E CA -0.897 55.405 56.400 -0.163 0.000 0.757 316 E CB 2.610 32.289 29.700 -0.036 0.000 1.231 316 E HN 0.482 nan 8.360 nan 0.000 0.439 317 W N 1.123 122.196 121.300 -0.379 0.000 2.864 317 W HA 0.376 5.037 4.660 0.001 0.000 0.343 317 W C -0.973 175.236 176.519 -0.517 0.000 1.109 317 W CA -0.645 56.505 57.345 -0.326 0.000 1.192 317 W CB 1.647 30.971 29.460 -0.226 0.000 1.426 317 W HN 0.602 nan 8.180 nan 0.000 0.529 318 Y N 0.763 121.385 120.300 0.537 0.000 2.592 318 Y HA 0.263 4.814 4.550 0.001 0.000 0.354 318 Y C 0.159 176.289 175.900 0.385 0.000 1.063 318 Y CA -0.743 57.647 58.100 0.483 0.000 1.205 318 Y CB 0.201 38.866 38.460 0.341 0.000 1.106 318 Y HN -0.146 nan 8.280 nan 0.000 0.649 319 V N 4.792 124.919 119.914 0.356 0.000 2.479 319 V HA 0.152 4.273 4.120 0.001 0.000 0.281 319 V C -1.945 174.124 176.094 -0.042 0.000 1.031 319 V CA -1.728 60.600 62.300 0.047 0.000 1.038 319 V CB 0.440 32.218 31.823 -0.074 0.000 0.981 319 V HN 0.342 nan 8.190 nan 0.000 0.478 320 P HA 0.268 nan 4.420 nan 0.000 0.271 320 P C 0.451 177.665 177.300 -0.144 0.000 1.216 320 P CA 0.098 63.088 63.100 -0.184 0.000 0.771 320 P CB 1.492 32.909 31.700 -0.472 0.000 0.864 321 I N 1.126 121.675 120.570 -0.035 0.000 2.900 321 I HA 0.039 4.210 4.170 0.001 0.000 0.251 321 I C 1.492 177.622 176.117 0.022 0.000 1.102 321 I CA 0.982 62.289 61.300 0.011 0.000 1.457 321 I CB -0.069 37.958 38.000 0.046 0.000 1.285 321 I HN 0.414 nan 8.210 nan 0.000 0.459 322 T N -2.691 111.809 114.554 -0.090 0.000 2.645 322 T HA 0.169 4.519 4.350 0.001 0.000 0.273 322 T C 0.247 174.543 174.700 -0.673 0.000 0.960 322 T CA -0.264 61.615 62.100 -0.368 0.000 1.051 322 T CB 1.060 69.742 68.868 -0.310 0.000 1.366 322 T HN 0.214 nan 8.240 nan 0.000 0.536 323 D N -0.123 119.489 120.400 -1.312 0.000 2.355 323 D HA 0.017 4.658 4.640 0.001 0.000 0.218 323 D C 0.591 176.745 176.300 -0.244 0.000 1.004 323 D CA 0.525 54.007 54.000 -0.864 0.000 0.880 323 D CB -0.228 39.861 40.800 -1.185 0.000 0.911 323 D HN 0.726 nan 8.370 nan 0.000 0.528 324 D N -0.292 119.970 120.400 -0.229 0.000 2.582 324 D HA 0.042 4.683 4.640 0.001 0.000 0.246 324 D C -0.242 176.032 176.300 -0.045 0.000 1.334 324 D CA -0.277 53.650 54.000 -0.121 0.000 0.805 324 D CB -0.160 40.439 40.800 -0.335 0.000 1.087 324 D HN 0.104 nan 8.370 nan 0.000 0.499 325 T N -2.171 112.366 114.554 -0.028 0.000 2.900 325 T HA 0.615 4.966 4.350 0.001 0.000 0.303 325 T C -0.761 173.964 174.700 0.040 0.000 1.142 325 T CA -0.828 61.246 62.100 -0.043 0.000 1.007 325 T CB 2.487 71.298 68.868 -0.095 0.000 1.156 325 T HN 0.335 nan 8.240 nan 0.000 0.490 326 H N 0.054 119.078 119.070 -0.077 0.000 3.016 326 H HA 0.694 5.251 4.556 0.001 0.000 0.362 326 H C -1.643 173.633 175.328 -0.087 0.000 1.233 326 H CA -0.753 55.286 56.048 -0.015 0.000 1.124 326 H CB 1.929 31.782 29.762 0.151 0.000 1.850 326 H HN 0.659 nan 8.280 nan 0.000 0.549 327 E N 1.505 121.657 120.200 -0.080 0.000 2.081 327 E HA 0.183 4.534 4.350 0.001 0.000 0.276 327 E C -1.623 175.051 176.600 0.124 0.000 0.950 327 E CA -0.708 55.542 56.400 -0.251 0.000 0.776 327 E CB 0.294 29.574 29.700 -0.700 0.000 1.094 327 E HN 0.431 nan 8.360 nan 0.000 0.402 328 Y N 5.031 125.305 120.300 -0.044 0.000 2.365 328 Y HA 0.407 4.957 4.550 0.001 0.000 0.340 328 Y C -1.327 174.601 175.900 0.047 0.000 1.016 328 Y CA -0.926 57.245 58.100 0.118 0.000 1.196 328 Y CB 0.306 38.838 38.460 0.120 0.000 1.167 328 Y HN 0.490 nan 8.280 nan 0.000 0.509 329 W N 5.354 126.419 121.300 -0.391 0.000 2.551 329 W HA 0.550 5.211 4.660 0.001 0.000 0.330 329 W C -0.591 175.635 176.519 -0.488 0.000 1.063 329 W CA -0.800 56.359 57.345 -0.309 0.000 1.222 329 W CB 1.359 30.785 29.460 -0.057 0.000 1.349 329 W HN 0.497 nan 8.180 nan 0.000 0.536 330 E N 4.369 124.525 120.200 -0.074 0.000 2.317 330 E HA 0.439 4.789 4.350 0.001 0.000 0.270 330 E C -1.266 175.468 176.600 0.223 0.000 0.899 330 E CA -0.416 55.957 56.400 -0.045 0.000 0.814 330 E CB 0.961 30.508 29.700 -0.254 0.000 1.296 330 E HN 0.567 nan 8.360 nan 0.000 0.404 331 I N 1.017 121.783 120.570 0.327 0.000 2.969 331 I HA 0.596 4.767 4.170 0.001 0.000 0.307 331 I C -1.546 174.753 176.117 0.303 0.000 1.149 331 I CA -1.216 60.306 61.300 0.370 0.000 1.008 331 I CB 1.964 40.277 38.000 0.521 0.000 1.232 331 I HN 0.348 nan 8.210 nan 0.000 0.435 332 L N 4.545 125.941 121.223 0.288 0.000 2.341 332 L HA 0.724 5.065 4.340 0.001 0.000 0.278 332 L C -0.795 176.311 176.870 0.394 0.000 1.005 332 L CA -1.018 53.987 54.840 0.275 0.000 0.818 332 L CB 2.071 44.292 42.059 0.271 0.000 1.259 332 L HN 0.424 nan 8.230 nan 0.000 0.418 333 V N 3.058 123.150 119.914 0.297 0.000 2.769 333 V HA 0.661 4.782 4.120 0.001 0.000 0.312 333 V C -0.439 175.651 176.094 -0.007 0.000 1.061 333 V CA -0.722 61.729 62.300 0.252 0.000 0.931 333 V CB 2.287 34.302 31.823 0.321 0.000 1.010 333 V HN 0.786 nan 8.190 nan 0.000 0.433 334 R N 2.108 122.459 120.500 -0.249 0.000 2.561 334 R HA 0.616 4.957 4.340 0.001 0.000 0.266 334 R C -2.000 174.120 176.300 -0.300 0.000 1.091 334 R CA -0.515 55.306 56.100 -0.465 0.000 0.927 334 R CB 2.224 31.825 30.300 -1.165 0.000 1.240 334 R HN 0.513 nan 8.270 nan 0.000 0.449 335 V N 3.798 123.616 119.914 -0.160 0.000 2.508 335 V HA 0.216 4.337 4.120 0.001 0.000 0.281 335 V C -0.338 175.695 176.094 -0.102 0.000 1.041 335 V CA -0.111 62.138 62.300 -0.085 0.000 1.016 335 V CB 0.957 32.758 31.823 -0.037 0.000 0.984 335 V HN 0.737 nan 8.190 nan 0.000 0.478 336 C N 8.015 127.286 119.300 -0.048 0.000 2.521 336 C HA 0.341 4.801 4.460 0.001 0.000 0.291 336 C C -0.628 174.371 174.990 0.015 0.000 1.074 336 C CA -0.849 58.164 59.018 -0.009 0.000 1.495 336 C CB 1.079 28.851 27.740 0.053 0.000 1.862 336 C HN 0.728 nan 8.230 nan 0.000 0.418 337 P HA -0.056 nan 4.420 nan 0.000 0.219 337 P C 0.592 177.904 177.300 0.021 0.000 1.150 337 P CA 1.531 64.637 63.100 0.011 0.000 0.814 337 P CB 0.177 31.877 31.700 0.000 0.000 0.787 338 T N -4.233 110.336 114.554 0.025 0.000 2.932 338 T HA 0.299 4.650 4.350 0.001 0.000 0.289 338 T C 0.810 175.537 174.700 0.046 0.000 1.039 338 T CA -0.618 61.501 62.100 0.031 0.000 1.024 338 T CB 1.772 70.654 68.868 0.024 0.000 1.090 338 T HN -0.291 nan 8.240 nan 0.000 0.496 339 D N 0.214 120.641 120.400 0.044 0.000 2.158 339 D HA -0.162 4.479 4.640 0.001 0.000 0.197 339 D C 1.735 178.072 176.300 0.062 0.000 0.995 339 D CA 1.465 55.497 54.000 0.054 0.000 0.846 339 D CB -0.044 40.782 40.800 0.043 0.000 0.941 339 D HN 0.788 nan 8.370 nan 0.000 0.456 340 E N 0.771 121.001 120.200 0.049 0.000 2.077 340 E HA -0.150 4.201 4.350 0.001 0.000 0.193 340 E C 1.537 178.178 176.600 0.068 0.000 0.989 340 E CA 1.545 57.973 56.400 0.047 0.000 0.800 340 E CB -0.320 29.398 29.700 0.030 0.000 0.746 340 E HN 0.248 nan 8.360 nan 0.000 0.452 341 D N -0.027 120.414 120.400 0.069 0.000 2.117 341 D HA -0.118 4.522 4.640 0.001 0.000 0.197 341 D C 2.055 178.450 176.300 0.158 0.000 0.987 341 D CA 0.927 54.979 54.000 0.087 0.000 0.829 341 D CB -0.201 40.629 40.800 0.050 0.000 0.961 341 D HN 0.241 nan 8.370 nan 0.000 0.460 342 R N 0.859 121.455 120.500 0.159 0.000 2.081 342 R HA -0.062 4.278 4.340 0.001 0.000 0.235 342 R C 2.291 178.741 176.300 0.250 0.000 1.131 342 R CA 0.937 57.176 56.100 0.232 0.000 0.960 342 R CB -0.079 30.323 30.300 0.170 0.000 0.856 342 R HN 0.189 nan 8.270 nan 0.000 0.436 343 K N 0.461 120.964 120.400 0.171 0.000 2.097 343 K HA -0.090 4.230 4.320 0.001 0.000 0.206 343 K C 2.047 178.760 176.600 0.188 0.000 1.049 343 K CA 0.926 57.306 56.287 0.155 0.000 0.933 343 K CB 0.047 32.607 32.500 0.099 0.000 0.717 343 K HN 0.001 nan 8.250 nan 0.000 0.442 344 K N 0.502 121.012 120.400 0.184 0.000 2.026 344 K HA -0.121 4.199 4.320 0.001 0.000 0.208 344 K C 1.998 178.790 176.600 0.320 0.000 1.048 344 K CA 1.081 57.485 56.287 0.195 0.000 0.929 344 K CB -0.448 32.142 32.500 0.149 0.000 0.713 344 K HN 0.101 nan 8.250 nan 0.000 0.439 345 F N 2.639 122.699 119.950 0.183 0.000 2.113 345 F HA -0.192 4.335 4.527 0.001 0.000 0.297 345 F C 2.577 178.523 175.800 0.244 0.000 1.103 345 F CA 1.533 59.682 58.000 0.249 0.000 1.248 345 F CB -0.609 38.552 39.000 0.269 0.000 0.999 345 F HN 0.049 nan 8.300 nan 0.000 0.475 346 Q N -0.510 119.372 119.800 0.136 0.000 2.061 346 Q HA -0.284 4.057 4.340 0.001 0.000 0.204 346 Q C 2.206 178.154 176.000 -0.087 0.000 0.984 346 Q CA 2.290 58.008 55.803 -0.143 0.000 0.846 346 Q CB -1.119 27.628 28.738 0.015 0.000 0.902 346 Q HN 0.588 nan 8.270 nan 0.000 0.421 347 Y N 0.230 120.507 120.300 -0.038 0.000 2.145 347 Y HA -0.200 4.351 4.550 0.001 0.000 0.286 347 Y C 2.413 178.272 175.900 -0.068 0.000 1.145 347 Y CA 2.201 60.299 58.100 -0.002 0.000 1.148 347 Y CB -0.138 38.365 38.460 0.071 0.000 0.981 347 Y HN 0.094 nan 8.280 nan 0.000 0.507 348 R N -1.159 119.390 120.500 0.083 0.000 2.120 348 R HA -0.223 4.117 4.340 0.001 0.000 0.234 348 R C 2.148 178.107 176.300 -0.569 0.000 1.123 348 R CA 1.603 57.565 56.100 -0.229 0.000 0.975 348 R CB -0.652 29.508 30.300 -0.233 0.000 0.866 348 R HN 0.551 nan 8.270 nan 0.000 0.446 349 Y N 1.368 121.376 120.300 -0.486 0.000 2.109 349 Y HA -0.193 4.358 4.550 0.001 0.000 0.285 349 Y C 1.627 177.294 175.900 -0.388 0.000 1.131 349 Y CA 1.926 59.812 58.100 -0.357 0.000 1.121 349 Y CB -0.306 37.837 38.460 -0.528 0.000 0.987 349 Y HN 0.078 nan 8.280 nan 0.000 0.495 350 D N -0.797 119.265 120.400 -0.564 0.000 2.123 350 D HA -0.192 4.449 4.640 0.001 0.000 0.196 350 D C 1.514 177.281 176.300 -0.888 0.000 0.992 350 D CA 1.917 55.451 54.000 -0.776 0.000 0.833 350 D CB -0.388 39.892 40.800 -0.866 0.000 0.954 350 D HN 0.559 nan 8.370 nan 0.000 0.455 351 H N -1.759 117.010 119.070 -0.501 0.000 2.542 351 H HA 0.263 4.820 4.556 0.001 0.000 0.283 351 H C 1.413 176.547 175.328 -0.323 0.000 1.059 351 H CA 0.087 55.879 56.048 -0.427 0.000 1.162 351 H CB 1.061 30.482 29.762 -0.569 0.000 1.539 351 H HN 0.109 nan 8.280 nan 0.000 0.543 352 M N -1.228 118.197 119.600 -0.293 0.000 1.836 352 M HA -0.031 4.450 4.480 0.001 0.000 0.176 352 M C 1.055 177.288 176.300 -0.111 0.000 1.652 352 M CA 0.398 55.569 55.300 -0.216 0.000 0.869 352 M CB -0.221 32.199 32.600 -0.300 0.000 1.562 352 M HN -0.055 nan 8.290 nan 0.000 0.606 353 Y N 1.599 121.818 120.300 -0.134 0.000 2.089 353 Y HA -0.152 4.399 4.550 0.001 0.000 0.282 353 Y C 2.479 178.265 175.900 -0.190 0.000 1.139 353 Y CA 1.887 59.931 58.100 -0.093 0.000 1.123 353 Y CB -1.355 37.133 38.460 0.048 0.000 0.980 353 Y HN 0.289 nan 8.280 nan 0.000 0.493 354 K N 0.229 120.405 120.400 -0.372 0.000 2.009 354 K HA -0.166 4.154 4.320 0.001 0.000 0.210 354 K C -0.683 175.868 176.600 -0.081 0.000 1.049 354 K CA 1.939 57.972 56.287 -0.423 0.000 0.929 354 K CB -1.138 30.846 32.500 -0.860 0.000 0.714 354 K HN 0.216 nan 8.250 nan 0.000 0.440 355 P HA -0.130 nan 4.420 nan 0.000 0.217 355 P C 1.383 178.736 177.300 0.087 0.000 1.151 355 P CA 1.378 64.493 63.100 0.025 0.000 0.828 355 P CB 0.071 31.740 31.700 -0.051 0.000 0.788 356 L N -1.763 119.499 121.223 0.064 0.000 2.354 356 L HA 0.058 4.399 4.340 0.001 0.000 0.212 356 L C 2.517 179.503 176.870 0.192 0.000 1.091 356 L CA 0.689 55.589 54.840 0.101 0.000 0.828 356 L CB -0.341 41.735 42.059 0.028 0.000 0.973 356 L HN 0.045 nan 8.230 nan 0.000 0.461 357 C N -0.903 118.518 119.300 0.202 0.000 2.742 357 C HA 0.093 4.553 4.460 0.001 0.000 0.284 357 C C 2.483 177.660 174.990 0.313 0.000 1.481 357 C CA -0.357 58.831 59.018 0.284 0.000 1.809 357 C CB -0.435 27.443 27.740 0.231 0.000 1.991 357 C HN 0.292 nan 8.230 nan 0.000 0.660 358 L N 0.393 121.733 121.223 0.194 0.000 2.079 358 L HA -0.088 4.252 4.340 0.001 0.000 0.210 358 L C 0.838 177.730 176.870 0.036 0.000 1.081 358 L CA 1.429 56.332 54.840 0.105 0.000 0.752 358 L CB -0.800 41.256 42.059 -0.005 0.000 0.896 358 L HN 0.552 nan 8.230 nan 0.000 0.433 359 H N -1.368 117.808 119.070 0.176 0.000 2.533 359 H HA 0.435 4.992 4.556 0.001 0.000 0.343 359 H C 0.743 176.182 175.328 0.185 0.000 1.160 359 H CA 0.342 56.484 56.048 0.157 0.000 1.218 359 H CB 1.806 31.618 29.762 0.083 0.000 1.566 359 H HN 0.144 nan 8.280 nan 0.000 0.522 360 G N 2.284 111.279 108.800 0.326 0.000 5.259 360 G HA2 -0.378 3.583 3.960 0.001 0.000 0.288 360 G HA3 -0.378 3.583 3.960 0.001 0.000 0.288 360 G C 1.097 176.183 174.900 0.311 0.000 1.534 360 G CA 0.647 45.904 45.100 0.263 0.000 1.031 360 G HN 0.537 nan 8.290 nan 0.000 0.724 361 F N 2.688 122.780 119.950 0.236 0.000 2.026 361 F HA -0.007 4.521 4.527 0.001 0.000 0.296 361 F C 2.548 178.554 175.800 0.345 0.000 1.133 361 F CA 2.862 61.032 58.000 0.282 0.000 1.188 361 F CB -0.460 38.690 39.000 0.249 0.000 0.968 361 F HN 0.367 nan 8.300 nan 0.000 0.476 362 N N -0.178 118.810 118.700 0.480 0.000 2.459 362 N HA -0.137 4.604 4.740 0.001 0.000 0.181 362 N C 1.124 176.788 175.510 0.256 0.000 1.046 362 N CA 0.807 54.081 53.050 0.372 0.000 0.904 362 N CB -0.151 38.583 38.487 0.412 0.000 0.964 362 N HN 0.246 nan 8.380 nan 0.000 0.444 363 D N -0.050 120.512 120.400 0.269 0.000 2.178 363 D HA -0.072 4.569 4.640 0.001 0.000 0.201 363 D C 1.691 178.143 176.300 0.254 0.000 0.980 363 D CA 0.871 55.031 54.000 0.266 0.000 0.842 363 D CB -0.182 40.824 40.800 0.344 0.000 0.948 363 D HN 0.098 nan 8.370 nan 0.000 0.472 364 S N 0.572 116.379 115.700 0.177 0.000 2.400 364 S HA -0.139 4.332 4.470 0.001 0.000 0.232 364 S C 1.398 176.008 174.600 0.017 0.000 1.025 364 S CA 0.914 59.159 58.200 0.076 0.000 0.993 364 S CB -0.086 63.026 63.200 -0.147 0.000 0.808 364 S HN 0.297 nan 8.310 nan 0.000 0.478 365 D N 1.265 121.666 120.400 0.002 0.000 2.178 365 D HA -0.003 4.637 4.640 0.001 0.000 0.202 365 D C 1.937 178.166 176.300 -0.117 0.000 0.974 365 D CA 0.407 54.377 54.000 -0.050 0.000 0.841 365 D CB -0.277 40.524 40.800 0.003 0.000 0.953 365 D HN 0.281 nan 8.370 nan 0.000 0.478 366 L N 0.165 121.295 121.223 -0.155 0.000 1.971 366 L HA -0.271 4.070 4.340 0.001 0.000 0.215 366 L C 2.400 179.054 176.870 -0.360 0.000 1.072 366 L CA 1.625 56.261 54.840 -0.339 0.000 0.758 366 L CB -0.345 41.416 42.059 -0.496 0.000 0.889 366 L HN 0.109 nan 8.230 nan 0.000 0.433 367 Y N -1.071 119.221 120.300 -0.014 0.000 2.373 367 Y HA -0.088 4.462 4.550 0.001 0.000 0.293 367 Y C 2.475 178.354 175.900 -0.034 0.000 1.129 367 Y CA 0.694 58.788 58.100 -0.010 0.000 1.226 367 Y CB -0.652 37.802 38.460 -0.011 0.000 1.000 367 Y HN 0.214 nan 8.280 nan 0.000 0.549 368 A N 0.809 123.661 122.820 0.053 0.000 1.902 368 A HA -0.198 4.123 4.320 0.001 0.000 0.217 368 A C 2.222 179.778 177.584 -0.048 0.000 1.181 368 A CA 1.642 53.672 52.037 -0.012 0.000 0.623 368 A CB -0.524 18.443 19.000 -0.056 0.000 0.818 368 A HN 0.403 nan 8.150 nan 0.000 0.443 369 R N -0.535 119.912 120.500 -0.088 0.000 2.073 369 R HA -0.117 4.224 4.340 0.001 0.000 0.234 369 R C 2.238 178.513 176.300 -0.041 0.000 1.134 369 R CA 1.525 57.560 56.100 -0.110 0.000 0.952 369 R CB -0.353 29.858 30.300 -0.148 0.000 0.850 369 R HN 0.671 nan 8.270 nan 0.000 0.433 370 E N 0.526 120.721 120.200 -0.007 0.000 2.058 370 E HA -0.195 4.156 4.350 0.001 0.000 0.194 370 E C 2.009 178.642 176.600 0.055 0.000 0.997 370 E CA 1.207 57.635 56.400 0.046 0.000 0.801 370 E CB -0.105 29.634 29.700 0.066 0.000 0.746 370 E HN 0.384 nan 8.360 nan 0.000 0.450 371 A N 0.664 123.513 122.820 0.049 0.000 2.076 371 A HA -0.185 4.135 4.320 0.001 0.000 0.220 371 A C 1.999 179.606 177.584 0.038 0.000 1.160 371 A CA 1.380 53.441 52.037 0.040 0.000 0.653 371 A CB -0.404 18.611 19.000 0.025 0.000 0.801 371 A HN 0.321 nan 8.150 nan 0.000 0.455 372 M N -1.436 118.192 119.600 0.047 0.000 2.510 372 M HA -0.008 4.472 4.480 0.001 0.000 0.256 372 M C 1.619 178.043 176.300 0.208 0.000 1.132 372 M CA 0.421 55.785 55.300 0.107 0.000 1.105 372 M CB 0.067 32.702 32.600 0.059 0.000 1.375 372 M HN 0.325 nan 8.290 nan 0.000 0.477 373 Q N 0.857 120.739 119.800 0.136 0.000 2.096 373 Q HA -0.182 4.158 4.340 0.001 0.000 0.204 373 Q C 1.343 177.470 176.000 0.213 0.000 0.982 373 Q CA 1.958 57.859 55.803 0.164 0.000 0.850 373 Q CB -0.914 27.890 28.738 0.110 0.000 0.901 373 Q HN 0.708 nan 8.270 nan 0.000 0.422 374 N N -0.077 118.722 118.700 0.166 0.000 2.205 374 N HA -0.159 4.581 4.740 0.001 0.000 0.186 374 N C 1.509 177.124 175.510 0.175 0.000 1.015 374 N CA 0.612 53.757 53.050 0.158 0.000 0.862 374 N CB -0.189 38.364 38.487 0.109 0.000 0.986 374 N HN 0.082 nan 8.380 nan 0.000 0.429 375 F N 0.256 120.178 119.950 -0.046 0.000 2.234 375 F HA -0.088 4.440 4.527 0.001 0.000 0.299 375 F C 1.105 176.650 175.800 -0.424 0.000 1.087 375 F CA 1.140 58.989 58.000 -0.252 0.000 1.340 375 F CB -0.105 38.671 39.000 -0.373 0.000 1.031 375 F HN 0.060 nan 8.300 nan 0.000 0.500 376 Y N -3.003 117.194 120.300 -0.172 0.000 2.524 376 Y HA -0.008 4.543 4.550 0.001 0.000 0.270 376 Y C 2.133 177.995 175.900 -0.063 0.000 1.094 376 Y CA 0.625 58.499 58.100 -0.377 0.000 1.276 376 Y CB -1.042 37.055 38.460 -0.605 0.000 1.130 376 Y HN 0.051 nan 8.280 nan 0.000 0.536 377 Y N 2.199 122.569 120.300 0.116 0.000 2.114 377 Y HA -0.321 4.230 4.550 0.001 0.000 0.282 377 Y C 1.895 177.859 175.900 0.108 0.000 1.165 377 Y CA 2.014 60.188 58.100 0.123 0.000 1.148 377 Y CB -0.137 38.371 38.460 0.080 0.000 0.972 377 Y HN 0.301 nan 8.280 nan 0.000 0.504 378 D N -1.352 119.024 120.400 -0.041 0.000 2.336 378 D HA 0.119 4.759 4.640 0.001 0.000 0.229 378 D C 1.654 177.907 176.300 -0.078 0.000 1.061 378 D CA 0.857 54.799 54.000 -0.096 0.000 0.875 378 D CB -0.205 40.602 40.800 0.012 0.000 0.904 378 D HN 0.505 nan 8.370 nan 0.000 0.525 379 G N -0.637 108.149 108.800 -0.025 0.000 2.234 379 G HA2 -0.380 3.581 3.960 0.001 0.000 0.235 379 G HA3 -0.380 3.581 3.960 0.001 0.000 0.235 379 G C 1.313 176.189 174.900 -0.041 0.000 0.997 379 G CA 0.507 45.666 45.100 0.098 0.000 0.623 379 G HN 0.351 nan 8.290 nan 0.000 0.514 380 T N 0.934 115.353 114.554 -0.225 0.000 2.635 380 T HA -0.050 4.300 4.350 0.001 0.000 0.267 380 T C 2.540 176.775 174.700 -0.775 0.000 1.040 380 T CA 2.595 64.454 62.100 -0.401 0.000 1.156 380 T CB -0.828 67.798 68.868 -0.403 0.000 0.863 380 T HN 1.102 nan 8.240 nan 0.000 0.430 381 G N -0.083 107.856 108.800 -1.435 0.000 2.442 381 G HA2 -0.196 3.765 3.960 0.001 0.000 0.219 381 G HA3 -0.196 3.765 3.960 0.001 0.000 0.219 381 G C 1.215 175.599 174.900 -0.860 0.000 1.141 381 G CA 0.470 44.303 45.100 -2.111 0.000 0.763 381 G HN 0.622 nan 8.290 nan 0.000 0.554 382 W N 0.730 121.946 121.300 -0.141 0.000 2.424 382 W HA 0.083 4.743 4.660 0.001 0.000 0.264 382 W C 1.735 178.299 176.519 0.076 0.000 1.229 382 W CA 0.631 58.063 57.345 0.145 0.000 1.208 382 W CB 0.238 29.787 29.460 0.149 0.000 1.127 382 W HN 0.160 nan 8.180 nan 0.000 0.588 383 D N -1.728 118.726 120.400 0.089 0.000 2.514 383 D HA -0.054 4.587 4.640 0.001 0.000 0.249 383 D C 1.139 177.445 176.300 0.010 0.000 1.036 383 D CA 0.903 54.941 54.000 0.064 0.000 0.911 383 D CB -0.430 40.387 40.800 0.028 0.000 1.145 383 D HN -0.035 nan 8.370 nan 0.000 0.495 384 D N 1.183 121.523 120.400 -0.100 0.000 2.339 384 D HA 0.002 4.643 4.640 0.001 0.000 0.217 384 D C 0.424 176.799 176.300 0.125 0.000 1.050 384 D CA 0.085 54.080 54.000 -0.009 0.000 0.856 384 D CB 0.056 40.847 40.800 -0.015 0.000 0.922 384 D HN 0.457 nan 8.370 nan 0.000 0.518 385 E N 0.782 121.041 120.200 0.098 0.000 2.415 385 E HA 0.026 4.377 4.350 0.001 0.000 0.262 385 E C -0.340 176.362 176.600 0.171 0.000 1.038 385 E CA 0.104 56.658 56.400 0.257 0.000 0.921 385 E CB 0.522 30.378 29.700 0.260 0.000 0.950 385 E HN 0.039 nan 8.360 nan 0.000 0.438 386 Q N 3.025 122.908 119.800 0.137 0.000 2.508 386 Q HA 0.307 4.647 4.340 0.001 0.000 0.247 386 Q C -0.570 175.484 176.000 0.090 0.000 1.047 386 Q CA -0.337 55.524 55.803 0.097 0.000 0.783 386 Q CB 1.096 29.872 28.738 0.064 0.000 1.172 386 Q HN 0.491 nan 8.270 nan 0.000 0.515 387 L N 1.907 123.195 121.223 0.109 0.000 2.453 387 L HA 0.497 4.838 4.340 0.001 0.000 0.261 387 L C 0.589 177.510 176.870 0.086 0.000 1.179 387 L CA -0.595 54.307 54.840 0.103 0.000 0.813 387 L CB 0.472 42.609 42.059 0.129 0.000 1.110 387 L HN 0.288 nan 8.230 nan 0.000 0.466 388 V N -1.388 118.575 119.914 0.081 0.000 3.139 388 V HA 0.632 4.752 4.120 0.001 0.000 0.310 388 V C 0.931 177.075 176.094 0.083 0.000 1.260 388 V CA -0.100 62.244 62.300 0.073 0.000 1.064 388 V CB 0.916 32.775 31.823 0.060 0.000 1.160 388 V HN 0.799 nan 8.190 nan 0.000 0.470 389 A N 0.513 123.377 122.820 0.072 0.000 1.903 389 A HA -0.205 4.115 4.320 0.001 0.000 0.219 389 A C 2.160 179.812 177.584 0.112 0.000 1.191 389 A CA 3.610 55.691 52.037 0.072 0.000 0.638 389 A CB -1.735 17.294 19.000 0.048 0.000 0.823 389 A HN 1.656 nan 8.150 nan 0.000 0.451 390 T N -2.497 112.141 114.554 0.141 0.000 2.977 390 T HA -0.091 4.259 4.350 0.001 0.000 0.271 390 T C 0.837 175.666 174.700 0.216 0.000 1.105 390 T CA 1.296 63.529 62.100 0.223 0.000 1.116 390 T CB -0.382 68.604 68.868 0.197 0.000 0.878 390 T HN 0.419 nan 8.240 nan 0.000 0.509 391 D N 0.652 121.146 120.400 0.156 0.000 2.338 391 D HA 0.120 4.761 4.640 0.001 0.000 0.239 391 D C 1.517 177.921 176.300 0.174 0.000 1.095 391 D CA -0.042 54.043 54.000 0.142 0.000 0.888 391 D CB -0.079 40.788 40.800 0.112 0.000 0.899 391 D HN 0.380 nan 8.370 nan 0.000 0.525 392 I N 0.371 121.065 120.570 0.208 0.000 2.454 392 I HA -0.219 3.952 4.170 0.001 0.000 0.254 392 I C 1.882 178.161 176.117 0.270 0.000 1.156 392 I CA 1.163 62.590 61.300 0.212 0.000 1.433 392 I CB -0.023 38.090 38.000 0.189 0.000 1.082 392 I HN -0.204 nan 8.210 nan 0.000 0.432 393 S N 1.965 117.864 115.700 0.331 0.000 2.335 393 S HA -0.034 4.436 4.470 0.001 0.000 0.216 393 S C -0.383 174.489 174.600 0.453 0.000 1.032 393 S CA 1.744 60.182 58.200 0.396 0.000 1.000 393 S CB -1.520 61.915 63.200 0.391 0.000 0.928 393 S HN 0.436 nan 8.310 nan 0.000 0.434 394 P HA -0.050 nan 4.420 nan 0.000 0.217 394 P C 1.358 178.774 177.300 0.192 0.000 1.150 394 P CA 1.086 64.377 63.100 0.318 0.000 0.832 394 P CB -0.232 31.502 31.700 0.056 0.000 0.787 395 I N -0.208 120.434 120.570 0.121 0.000 2.226 395 I HA -0.199 3.972 4.170 0.001 0.000 0.245 395 I C 2.354 178.522 176.117 0.085 0.000 1.100 395 I CA 1.759 63.090 61.300 0.052 0.000 1.374 395 I CB -1.247 36.848 38.000 0.157 0.000 1.057 395 I HN -0.010 nan 8.210 nan 0.000 0.413 396 T N 0.500 115.155 114.554 0.167 0.000 2.746 396 T HA -0.225 4.126 4.350 0.001 0.000 0.267 396 T C 1.535 176.321 174.700 0.144 0.000 1.039 396 T CA 1.385 63.581 62.100 0.161 0.000 1.142 396 T CB -0.383 68.599 68.868 0.190 0.000 0.866 396 T HN 0.586 nan 8.240 nan 0.000 0.444 397 W N 2.631 123.923 121.300 -0.013 0.000 2.355 397 W HA -0.155 4.506 4.660 0.001 0.000 0.309 397 W C 1.987 178.423 176.519 -0.139 0.000 1.206 397 W CA 0.870 58.168 57.345 -0.077 0.000 1.284 397 W CB -0.335 29.089 29.460 -0.061 0.000 1.145 397 W HN 0.183 nan 8.180 nan 0.000 0.502 398 R N 0.561 120.684 120.500 -0.628 0.000 2.091 398 R HA -0.162 4.179 4.340 0.001 0.000 0.238 398 R C 2.386 178.397 176.300 -0.482 0.000 1.136 398 R CA 2.024 57.470 56.100 -1.090 0.000 0.959 398 R CB -0.439 29.115 30.300 -1.244 0.000 0.856 398 R HN 0.188 nan 8.270 nan 0.000 0.437 399 K N 0.637 120.940 120.400 -0.163 0.000 2.026 399 K HA -0.142 4.179 4.320 0.001 0.000 0.208 399 K C 2.188 178.767 176.600 -0.035 0.000 1.048 399 K CA 1.481 57.770 56.287 0.004 0.000 0.929 399 K CB -0.294 32.259 32.500 0.088 0.000 0.713 399 K HN 0.131 nan 8.250 nan 0.000 0.439 400 L N -0.729 120.474 121.223 -0.035 0.000 2.093 400 L HA 0.056 4.397 4.340 0.001 0.000 0.208 400 L C 2.282 179.131 176.870 -0.034 0.000 1.085 400 L CA 1.768 56.656 54.840 0.079 0.000 0.755 400 L CB -0.884 41.264 42.059 0.148 0.000 0.904 400 L HN -0.035 nan 8.230 nan 0.000 0.435 401 A N -0.063 122.538 122.820 -0.365 0.000 1.933 401 A HA -0.141 4.180 4.320 0.001 0.000 0.218 401 A C 2.412 179.806 177.584 -0.317 0.000 1.175 401 A CA 1.958 53.694 52.037 -0.501 0.000 0.628 401 A CB -1.027 17.467 19.000 -0.844 0.000 0.814 401 A HN 0.578 nan 8.150 nan 0.000 0.444 402 S N -0.635 114.984 115.700 -0.135 0.000 2.383 402 S HA -0.112 4.359 4.470 0.001 0.000 0.227 402 S C 2.061 176.587 174.600 -0.122 0.000 1.026 402 S CA 1.278 59.461 58.200 -0.028 0.000 0.981 402 S CB -0.234 62.998 63.200 0.054 0.000 0.818 402 S HN 0.609 nan 8.310 nan 0.000 0.472 403 R N -0.699 119.698 120.500 -0.172 0.000 2.093 403 R HA 0.013 4.354 4.340 0.001 0.000 0.224 403 R C 1.203 177.139 176.300 -0.607 0.000 1.101 403 R CA 1.098 56.971 56.100 -0.378 0.000 0.979 403 R CB -0.090 29.967 30.300 -0.405 0.000 0.877 403 R HN 0.455 nan 8.270 nan 0.000 0.441 404 W N 1.314 122.553 121.300 -0.101 0.000 3.127 404 W HA 0.124 4.785 4.660 0.001 0.000 0.344 404 W C 0.047 176.519 176.519 -0.078 0.000 1.151 404 W CA -0.906 56.399 57.345 -0.066 0.000 1.765 404 W CB -0.130 29.312 29.460 -0.030 0.000 1.085 404 W HN 0.064 nan 8.180 nan 0.000 0.596 405 N N 0.815 119.449 118.700 -0.109 0.000 2.416 405 N HA 0.011 4.752 4.740 0.001 0.000 0.246 405 N C 0.692 176.271 175.510 0.116 0.000 1.260 405 N CA 0.061 53.019 53.050 -0.152 0.000 0.897 405 N CB 0.567 38.483 38.487 -0.953 0.000 1.110 405 N HN 0.057 nan 8.380 nan 0.000 0.439 406 R N 0.513 121.186 120.500 0.287 0.000 2.334 406 R HA 0.261 4.601 4.340 0.001 0.000 0.220 406 R C 0.054 176.442 176.300 0.147 0.000 0.917 406 R CA 0.072 56.234 56.100 0.104 0.000 1.073 406 R CB -0.162 30.048 30.300 -0.150 0.000 1.056 406 R HN 0.803 nan 8.270 nan 0.000 0.506 407 G N 0.751 109.678 108.800 0.212 0.000 2.368 407 G HA2 0.131 4.092 3.960 0.001 0.000 0.301 407 G HA3 0.131 4.092 3.960 0.001 0.000 0.301 407 G C -1.334 173.753 174.900 0.312 0.000 1.640 407 G CA -0.987 44.239 45.100 0.210 0.000 0.941 407 G HN 0.022 nan 8.290 nan 0.000 0.695 408 I N 1.816 122.533 120.570 0.245 0.000 2.321 408 I HA 0.531 4.702 4.170 0.001 0.000 0.291 408 I C 1.048 177.244 176.117 0.131 0.000 0.998 408 I CA -0.711 60.733 61.300 0.240 0.000 1.227 408 I CB 1.733 39.849 38.000 0.194 0.000 1.368 408 I HN 0.798 nan 8.210 nan 0.000 0.466 409 A N 6.903 129.788 122.820 0.109 0.000 2.477 409 A HA 0.252 4.573 4.320 0.001 0.000 0.246 409 A C 0.097 177.681 177.584 -0.000 0.000 1.078 409 A CA -0.044 52.024 52.037 0.053 0.000 0.770 409 A CB 0.110 19.149 19.000 0.065 0.000 1.011 409 A HN 0.711 nan 8.150 nan 0.000 0.494 410 K N 2.236 122.577 120.400 -0.099 0.000 2.126 410 K HA 0.407 4.727 4.320 0.001 0.000 0.257 410 K C -2.503 173.763 176.600 -0.556 0.000 1.007 410 K CA -1.413 54.745 56.287 -0.216 0.000 0.928 410 K CB 0.291 32.695 32.500 -0.160 0.000 1.013 410 K HN 0.432 nan 8.250 nan 0.000 0.473 411 P HA -0.012 nan 4.420 nan 0.000 0.267 411 P C -0.446 176.182 177.300 -1.121 0.000 1.200 411 P CA -0.129 62.021 63.100 -1.583 0.000 0.772 411 P CB 0.544 31.798 31.700 -0.743 0.000 0.855 412 G N 2.910 110.838 108.800 -1.453 0.000 2.441 412 G HA2 0.298 4.259 3.960 0.001 0.000 0.243 412 G HA3 0.298 4.259 3.960 0.001 0.000 0.243 412 G C -0.394 174.321 174.900 -0.309 0.000 1.281 412 G CA -0.312 44.436 45.100 -0.586 0.000 0.854 412 G HN 0.301 nan 8.290 nan 0.000 0.560 413 R N 0.805 121.198 120.500 -0.178 0.000 2.575 413 R HA 0.509 4.850 4.340 0.001 0.000 0.293 413 R C 0.625 176.893 176.300 -0.055 0.000 0.983 413 R CA -0.400 55.640 56.100 -0.099 0.000 0.887 413 R CB 1.383 31.626 30.300 -0.095 0.000 1.184 413 R HN 1.321 nan 8.270 nan 0.000 0.445 414 G N 0.754 109.539 108.800 -0.025 0.000 2.168 414 G HA2 -0.287 3.673 3.960 0.001 0.000 0.257 414 G HA3 -0.287 3.673 3.960 0.001 0.000 0.257 414 G C 0.071 174.969 174.900 -0.003 0.000 0.997 414 G CA 0.765 45.858 45.100 -0.011 0.000 0.708 414 G HN 0.643 nan 8.290 nan 0.000 0.520 415 V N -4.075 115.841 119.914 0.004 0.000 3.141 415 V HA 0.965 5.085 4.120 0.001 0.000 0.312 415 V C 0.591 176.713 176.094 0.046 0.000 1.157 415 V CA -0.815 61.496 62.300 0.019 0.000 1.041 415 V CB 1.436 33.263 31.823 0.007 0.000 1.071 415 V HN 1.807 nan 8.190 nan 0.000 0.441 416 A N 0.688 123.538 122.820 0.051 0.000 2.546 416 A HA 0.545 4.866 4.320 0.001 0.000 0.243 416 A C 1.507 179.153 177.584 0.103 0.000 1.063 416 A CA 0.836 52.910 52.037 0.062 0.000 0.757 416 A CB -0.748 18.279 19.000 0.045 0.000 0.991 416 A HN 2.877 nan 8.150 nan 0.000 0.503 417 G N 0.830 109.698 108.800 0.113 0.000 2.194 417 G HA2 -0.017 3.943 3.960 0.001 0.000 0.236 417 G HA3 -0.017 3.943 3.960 0.001 0.000 0.236 417 G C 1.170 176.246 174.900 0.292 0.000 0.987 417 G CA 0.970 46.179 45.100 0.182 0.000 0.635 417 G HN 1.926 nan 8.290 nan 0.000 0.520 418 A N -0.703 122.235 122.820 0.197 0.000 1.969 418 A HA 0.536 4.857 4.320 0.001 0.000 0.218 418 A C 1.154 178.835 177.584 0.162 0.000 1.169 418 A CA 1.952 54.085 52.037 0.159 0.000 0.635 418 A CB 0.142 19.171 19.000 0.049 0.000 0.810 418 A HN 1.157 nan 8.150 nan 0.000 0.445 419 V N 0.051 120.040 119.914 0.126 0.000 2.531 419 V HA 0.217 4.338 4.120 0.001 0.000 0.301 419 V C 0.356 176.499 176.094 0.082 0.000 1.034 419 V CA -0.686 61.676 62.300 0.104 0.000 0.865 419 V CB 1.746 33.617 31.823 0.080 0.000 0.995 419 V HN 0.414 nan 8.190 nan 0.000 0.424 420 K N 1.690 122.133 120.400 0.072 0.000 2.361 420 K HA 0.040 4.361 4.320 0.001 0.000 0.196 420 K C 0.232 176.798 176.600 -0.057 0.000 1.039 420 K CA 0.774 57.068 56.287 0.011 0.000 1.001 420 K CB 0.226 32.732 32.500 0.010 0.000 0.795 420 K HN 0.860 nan 8.250 nan 0.000 0.495 421 D N 1.042 121.446 120.400 0.006 0.000 2.892 421 D HA -0.020 4.620 4.640 0.001 0.000 0.291 421 D C 0.036 176.433 176.300 0.161 0.000 1.341 421 D CA -0.408 53.606 54.000 0.023 0.000 0.844 421 D CB -0.197 40.731 40.800 0.213 0.000 1.093 421 D HN -0.064 nan 8.370 nan 0.000 0.480 422 T N -2.823 111.772 114.554 0.068 0.000 2.868 422 T HA 0.208 4.559 4.350 0.001 0.000 0.292 422 T C 1.593 176.428 174.700 0.225 0.000 1.028 422 T CA -0.005 62.173 62.100 0.130 0.000 1.059 422 T CB 1.528 70.440 68.868 0.072 0.000 0.991 422 T HN 0.080 nan 8.240 nan 0.000 0.531 423 S N 1.641 117.472 115.700 0.219 0.000 2.419 423 S HA -0.086 4.385 4.470 0.001 0.000 0.233 423 S C 1.976 176.682 174.600 0.176 0.000 1.016 423 S CA 0.559 58.900 58.200 0.236 0.000 0.974 423 S CB -0.852 62.426 63.200 0.130 0.000 0.786 423 S HN 0.650 nan 8.310 nan 0.000 0.492 424 L N 0.510 121.798 121.223 0.108 0.000 2.056 424 L HA 0.039 4.380 4.340 0.001 0.000 0.207 424 L C 2.546 179.439 176.870 0.039 0.000 1.078 424 L CA 1.252 56.132 54.840 0.066 0.000 0.749 424 L CB -0.408 41.679 42.059 0.048 0.000 0.901 424 L HN 0.325 nan 8.230 nan 0.000 0.433 425 I N -1.315 119.252 120.570 -0.004 0.000 2.315 425 I HA -0.290 3.880 4.170 0.001 0.000 0.248 425 I C 2.200 178.234 176.117 -0.139 0.000 1.117 425 I CA 1.370 62.605 61.300 -0.108 0.000 1.404 425 I CB -0.175 37.699 38.000 -0.210 0.000 1.071 425 I HN 0.105 nan 8.210 nan 0.000 0.419 426 F N 1.092 121.050 119.950 0.013 0.000 2.234 426 F HA -0.199 4.329 4.527 0.002 0.000 0.299 426 F C 2.594 178.396 175.800 0.004 0.000 1.087 426 F CA 1.310 59.314 58.000 0.007 0.000 1.340 426 F CB -0.235 38.769 39.000 0.008 0.000 1.031 426 F HN -0.051 nan 8.300 nan 0.000 0.500 427 K N 0.645 121.149 120.400 0.173 0.000 2.002 427 K HA -0.237 4.084 4.320 0.001 0.000 0.209 427 K C 1.937 178.572 176.600 0.059 0.000 1.048 427 K CA 1.812 58.158 56.287 0.099 0.000 0.930 427 K CB -0.274 32.268 32.500 0.071 0.000 0.714 427 K HN 0.306 nan 8.250 nan 0.000 0.438 428 Q N -0.170 119.651 119.800 0.035 0.000 2.096 428 Q HA -0.127 4.213 4.340 0.001 0.000 0.204 428 Q C 2.074 178.079 176.000 0.008 0.000 0.982 428 Q CA 2.220 58.031 55.803 0.012 0.000 0.850 428 Q CB -0.149 28.588 28.738 -0.003 0.000 0.901 428 Q HN 0.404 nan 8.270 nan 0.000 0.422 429 T N 0.904 115.460 114.554 0.004 0.000 2.746 429 T HA -0.138 4.212 4.350 0.001 0.000 0.267 429 T C 1.964 176.682 174.700 0.030 0.000 1.039 429 T CA 1.173 63.272 62.100 -0.001 0.000 1.142 429 T CB -0.333 68.521 68.868 -0.023 0.000 0.866 429 T HN 0.406 nan 8.240 nan 0.000 0.444 430 A N 2.105 124.963 122.820 0.064 0.000 1.908 430 A HA -0.157 4.164 4.320 0.001 0.000 0.218 430 A C 1.921 179.522 177.584 0.029 0.000 1.181 430 A CA 1.687 53.758 52.037 0.056 0.000 0.627 430 A CB -0.633 18.408 19.000 0.067 0.000 0.818 430 A HN 0.337 nan 8.150 nan 0.000 0.445 431 D N -1.210 119.204 120.400 0.023 0.000 2.378 431 D HA 0.227 4.868 4.640 0.001 0.000 0.227 431 D C 1.379 177.682 176.300 0.005 0.000 1.012 431 D CA 1.207 55.214 54.000 0.012 0.000 0.905 431 D CB -0.182 40.624 40.800 0.010 0.000 0.895 431 D HN 0.665 nan 8.370 nan 0.000 0.532 432 G N 0.590 109.392 108.800 0.003 0.000 2.157 432 G HA2 -0.298 3.663 3.960 0.001 0.000 0.239 432 G HA3 -0.298 3.663 3.960 0.001 0.000 0.239 432 G C 0.148 175.043 174.900 -0.009 0.000 0.982 432 G CA -0.248 44.848 45.100 -0.006 0.000 0.650 432 G HN 0.336 nan 8.290 nan 0.000 0.527 433 K N 1.037 121.434 120.400 -0.005 0.000 2.248 433 K HA 0.509 4.830 4.320 0.001 0.000 0.281 433 K C 0.894 177.491 176.600 -0.004 0.000 1.054 433 K CA -0.583 55.704 56.287 0.001 0.000 0.903 433 K CB 1.123 33.627 32.500 0.005 0.000 1.077 433 K HN 0.287 nan 8.250 nan 0.000 0.474 434 R N 2.317 122.822 120.500 0.009 0.000 2.637 434 R HA 0.194 4.534 4.340 0.001 0.000 0.269 434 R C -2.112 174.247 176.300 0.099 0.000 1.089 434 R CA -1.669 54.437 56.100 0.011 0.000 1.177 434 R CB -0.185 30.128 30.300 0.021 0.000 1.091 434 R HN 0.379 nan 8.270 nan 0.000 0.540 435 P HA 0.048 nan 4.420 nan 0.000 0.266 435 P C -0.461 176.963 177.300 0.207 0.000 1.195 435 P CA 0.195 63.401 63.100 0.177 0.000 0.768 435 P CB 0.864 32.704 31.700 0.232 0.000 0.838 436 G N 0.297 109.163 108.800 0.110 0.000 3.257 436 G HA2 0.364 4.325 3.960 0.001 0.000 0.205 436 G HA3 0.364 4.325 3.960 0.001 0.000 0.205 436 G C -1.093 173.884 174.900 0.127 0.000 1.234 436 G CA -0.069 45.092 45.100 0.101 0.000 0.918 436 G HN 0.464 nan 8.290 nan 0.000 0.602 437 Y N -0.452 119.833 120.300 -0.026 0.000 3.087 437 Y HA 0.449 5.000 4.550 0.001 0.000 0.227 437 Y C 0.660 176.548 175.900 -0.020 0.000 1.015 437 Y CA 0.153 58.232 58.100 -0.036 0.000 1.399 437 Y CB 0.253 38.686 38.460 -0.046 0.000 1.483 437 Y HN 0.241 nan 8.280 nan 0.000 0.420 438 K N 2.225 122.555 120.400 -0.117 0.000 2.339 438 K HA 0.401 4.722 4.320 0.001 0.000 0.286 438 K C -0.689 175.844 176.600 -0.112 0.000 1.050 438 K CA -0.404 55.760 56.287 -0.204 0.000 0.956 438 K CB 1.709 34.176 32.500 -0.055 0.000 0.990 438 K HN -0.026 nan 8.250 nan 0.000 0.475 439 V N 3.351 123.188 119.914 -0.130 0.000 2.585 439 V HA -0.036 4.084 4.120 0.001 0.000 0.296 439 V C 0.663 176.724 176.094 -0.055 0.000 1.035 439 V CA 0.007 62.262 62.300 -0.075 0.000 1.084 439 V CB 0.660 32.443 31.823 -0.067 0.000 0.953 439 V HN 0.744 nan 8.190 nan 0.000 0.483 440 E N 4.317 124.491 120.200 -0.043 0.000 2.338 440 E HA 0.222 4.573 4.350 0.001 0.000 0.272 440 E C -0.222 176.339 176.600 -0.066 0.000 1.029 440 E CA -0.341 56.033 56.400 -0.044 0.000 0.872 440 E CB 0.733 30.412 29.700 -0.035 0.000 1.015 440 E HN 0.709 nan 8.360 nan 0.000 0.417 441 Q N 2.794 122.549 119.800 -0.076 0.000 2.207 441 Q HA 0.553 4.893 4.340 0.001 0.000 0.237 441 Q C 0.062 175.979 176.000 -0.137 0.000 0.998 441 Q CA -0.823 54.912 55.803 -0.113 0.000 0.951 441 Q CB 1.275 29.953 28.738 -0.100 0.000 1.213 441 Q HN 0.597 nan 8.270 nan 0.000 0.499 442 I N 0.000 120.453 120.570 -0.195 0.000 2.984 442 I HA 0.000 4.171 4.170 0.001 0.000 0.288 442 I CA 0.000 61.178 61.300 -0.204 0.000 1.566 442 I CB 0.000 37.922 38.000 -0.130 0.000 1.214 442 I HN 0.000 nan 8.210 nan 0.000 0.494