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 1z01_1_F DATA FIRST_RESID 16 DATA SEQUENCE ISDARANNAK TQSQYQPYKD AAWGFINHWY PALFTHELEE DQVQGIQICG DATA SEQUENCE VPIVLRRVNG KVFALKDQCL HRGVRLSEKP TCFTKSTISC WYHGFTFDLE DATA SEQUENCE TGKLVTIVAN PEDKLIGTTG VTTYPVHEVN GMIFVFVRED DFPDEDVPPL DATA SEQUENCE AHDLPFRFPE RSEQFPHPLW PSSPSVLDDN AVVHGMHRTG FGNWRIACEN DATA SEQUENCE GFDNAHILVH KDNTIVHAMD WVLPLGLLPT SDDCIAVVED DDGPKGMMQW DATA SEQUENCE LFTDKWAPVL ENQELGLKVE GLKGRHYRTS VVLPGVLMVE NWPEEHVVQY DATA SEQUENCE EWYVPITDDT HEYWEILVRV CPTDEDRKKF QYRYDHMYKP LCLHGFNDSD DATA SEQUENCE LYAREAMQNF YYDGTGWDDE QLVATDISPI TWRKLASRWN RGIAKPGRGV DATA SEQUENCE AGAVKDTSLI FKQTADGKRP GYKVEQI VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 16 I HA 0.000 nan 4.170 nan 0.000 0.288 16 I C 0.000 176.133 176.117 0.027 0.000 1.063 16 I CA 0.000 61.319 61.300 0.031 0.000 1.566 16 I CB 0.000 38.022 38.000 0.036 0.000 1.214 17 S N 2.853 118.570 115.700 0.027 0.000 2.580 17 S HA 0.185 4.655 4.470 -0.000 0.000 0.274 17 S C 0.724 175.341 174.600 0.027 0.000 1.329 17 S CA -0.097 58.117 58.200 0.024 0.000 1.036 17 S CB 0.827 64.040 63.200 0.022 0.000 0.919 17 S HN 0.546 nan 8.310 nan 0.000 0.515 18 D N 3.218 123.631 120.400 0.023 0.000 2.363 18 D HA 0.138 4.778 4.640 -0.000 0.000 0.226 18 D C 1.470 177.785 176.300 0.026 0.000 1.020 18 D CA 0.710 54.724 54.000 0.023 0.000 0.892 18 D CB -0.139 40.672 40.800 0.018 0.000 0.900 18 D HN 0.560 nan 8.370 nan 0.000 0.531 19 A N 0.823 123.658 122.820 0.026 0.000 2.251 19 A HA 0.010 4.330 4.320 -0.000 0.000 0.209 19 A C 1.078 178.683 177.584 0.035 0.000 1.187 19 A CA -0.253 51.801 52.037 0.027 0.000 0.823 19 A CB -0.318 18.695 19.000 0.023 0.000 0.846 19 A HN 0.210 nan 8.150 nan 0.000 0.486 20 R N -1.258 119.267 120.500 0.042 0.000 2.594 20 R HA 0.566 4.906 4.340 -0.000 0.000 0.272 20 R C 0.864 177.202 176.300 0.063 0.000 1.074 20 R CA 0.292 56.425 56.100 0.055 0.000 1.105 20 R CB 0.628 30.967 30.300 0.064 0.000 1.008 20 R HN -0.039 nan 8.270 nan 0.000 0.472 21 A N 2.669 125.535 122.820 0.077 0.000 2.014 21 A HA -0.177 4.143 4.320 -0.000 0.000 0.218 21 A C 0.806 178.453 177.584 0.105 0.000 1.163 21 A CA 1.172 53.260 52.037 0.086 0.000 0.652 21 A CB -0.873 18.185 19.000 0.096 0.000 0.808 21 A HN 0.961 nan 8.150 nan 0.000 0.449 22 N N 1.323 120.099 118.700 0.127 0.000 3.124 22 N HA 0.092 4.832 4.740 -0.000 0.000 0.284 22 N C -0.175 175.392 175.510 0.095 0.000 1.209 22 N CA -0.353 52.790 53.050 0.155 0.000 1.149 22 N CB -0.198 38.434 38.487 0.242 0.000 1.434 22 N HN 0.654 nan 8.380 nan 0.000 0.529 23 N N 0.255 118.989 118.700 0.057 0.000 2.327 23 N HA 0.112 4.852 4.740 -0.000 0.000 0.257 23 N C 1.025 176.534 175.510 -0.003 0.000 1.281 23 N CA -0.508 52.559 53.050 0.029 0.000 0.942 23 N CB 0.685 39.186 38.487 0.023 0.000 1.199 23 N HN 0.246 nan 8.380 nan 0.000 0.532 24 A N 0.514 123.329 122.820 -0.009 0.000 1.892 24 A HA -0.249 4.070 4.320 -0.000 0.000 0.218 24 A C 2.200 179.748 177.584 -0.061 0.000 1.188 24 A CA 1.529 53.547 52.037 -0.030 0.000 0.631 24 A CB -0.773 18.217 19.000 -0.017 0.000 0.822 24 A HN 0.772 nan 8.150 nan 0.000 0.447 25 K N -0.666 119.707 120.400 -0.045 0.000 2.032 25 K HA -0.133 4.186 4.320 -0.000 0.000 0.209 25 K C 2.083 178.629 176.600 -0.089 0.000 1.048 25 K CA 2.177 58.433 56.287 -0.052 0.000 0.927 25 K CB -0.897 31.588 32.500 -0.024 0.000 0.712 25 K HN 0.493 nan 8.250 nan 0.000 0.441 26 T N 1.936 116.443 114.554 -0.078 0.000 2.708 26 T HA -0.140 4.210 4.350 -0.000 0.000 0.266 26 T C 1.969 176.435 174.700 -0.390 0.000 1.037 26 T CA 1.445 63.482 62.100 -0.106 0.000 1.146 26 T CB -0.108 68.767 68.868 0.012 0.000 0.865 26 T HN 0.400 nan 8.240 nan 0.000 0.435 27 Q N 1.089 120.634 119.800 -0.425 0.000 2.124 27 Q HA -0.096 4.244 4.340 -0.000 0.000 0.202 27 Q C 2.689 178.302 176.000 -0.644 0.000 0.977 27 Q CA 1.651 56.986 55.803 -0.781 0.000 0.850 27 Q CB -0.357 28.222 28.738 -0.265 0.000 0.901 27 Q HN 0.663 nan 8.270 nan 0.000 0.429 28 S N 0.322 115.832 115.700 -0.316 0.000 2.500 28 S HA -0.149 4.321 4.470 -0.000 0.000 0.239 28 S C 1.608 176.102 174.600 -0.176 0.000 0.989 28 S CA 0.784 58.871 58.200 -0.188 0.000 0.951 28 S CB -0.073 63.063 63.200 -0.107 0.000 0.759 28 S HN 0.345 nan 8.310 nan 0.000 0.523 29 Q N 0.127 119.780 119.800 -0.245 0.000 2.451 29 Q HA 0.077 4.417 4.340 -0.000 0.000 0.206 29 Q C -0.171 175.822 176.000 -0.012 0.000 0.947 29 Q CA 0.481 56.216 55.803 -0.112 0.000 0.937 29 Q CB 0.032 28.735 28.738 -0.059 0.000 1.025 29 Q HN 1.055 nan 8.270 nan 0.000 0.511 30 Y N -3.133 117.173 120.300 0.009 0.000 2.658 30 Y HA 0.410 4.960 4.550 -0.000 0.000 0.273 30 Y C 1.056 176.981 175.900 0.042 0.000 0.992 30 Y CA -0.793 57.313 58.100 0.011 0.000 1.105 30 Y CB -0.493 37.947 38.460 -0.033 0.000 1.188 30 Y HN -0.185 nan 8.280 nan 0.000 0.616 31 Q N 2.341 122.217 119.800 0.127 0.000 2.079 31 Q HA 0.043 4.382 4.340 -0.000 0.000 0.200 31 Q C -0.988 175.070 176.000 0.096 0.000 0.974 31 Q CA 1.886 57.741 55.803 0.086 0.000 0.840 31 Q CB -0.975 27.776 28.738 0.021 0.000 0.898 31 Q HN 0.370 nan 8.270 nan 0.000 0.430 32 P HA -0.166 nan 4.420 nan 0.000 0.216 32 P C 0.615 178.034 177.300 0.198 0.000 1.150 32 P CA 1.173 64.363 63.100 0.150 0.000 0.837 32 P CB -0.258 31.536 31.700 0.158 0.000 0.786 33 Y N 1.011 121.363 120.300 0.087 0.000 2.181 33 Y HA -0.179 4.371 4.550 -0.000 0.000 0.288 33 Y C 1.984 177.694 175.900 -0.316 0.000 1.146 33 Y CA 1.694 59.785 58.100 -0.015 0.000 1.164 33 Y CB -0.335 38.078 38.460 -0.078 0.000 0.982 33 Y HN -0.180 nan 8.280 nan 0.000 0.515 34 K N -0.319 119.974 120.400 -0.178 0.000 2.209 34 K HA -0.156 4.164 4.320 -0.000 0.000 0.204 34 K C 1.054 177.390 176.600 -0.440 0.000 1.048 34 K CA 1.444 57.413 56.287 -0.531 0.000 0.940 34 K CB -0.094 32.270 32.500 -0.227 0.000 0.729 34 K HN 0.349 nan 8.250 nan 0.000 0.451 35 D N 0.127 120.402 120.400 -0.209 0.000 2.355 35 D HA -0.006 4.633 4.640 -0.000 0.000 0.218 35 D C 0.534 176.770 176.300 -0.106 0.000 1.004 35 D CA 0.359 54.289 54.000 -0.117 0.000 0.880 35 D CB 0.335 41.124 40.800 -0.020 0.000 0.911 35 D HN 0.101 nan 8.370 nan 0.000 0.528 36 A N 0.346 123.033 122.820 -0.223 0.000 2.988 36 A HA 0.533 4.853 4.320 -0.000 0.000 0.288 36 A C 1.836 179.335 177.584 -0.141 0.000 1.385 36 A CA 0.228 52.130 52.037 -0.225 0.000 1.001 36 A CB -0.275 18.386 19.000 -0.565 0.000 1.071 36 A HN 0.084 nan 8.150 nan 0.000 0.608 37 A N -0.400 122.361 122.820 -0.098 0.000 1.940 37 A HA -0.168 4.152 4.320 -0.000 0.000 0.219 37 A C 1.524 179.149 177.584 0.067 0.000 1.176 37 A CA 1.344 53.343 52.037 -0.062 0.000 0.631 37 A CB -0.653 18.296 19.000 -0.085 0.000 0.814 37 A HN 0.797 nan 8.150 nan 0.000 0.446 38 W N -0.667 120.667 121.300 0.056 0.000 3.180 38 W HA 0.393 5.053 4.660 -0.000 0.000 0.254 38 W C 1.293 177.757 176.519 -0.092 0.000 1.318 38 W CA 1.217 58.576 57.345 0.023 0.000 1.608 38 W CB -0.285 29.168 29.460 -0.012 0.000 1.124 38 W HN 0.708 nan 8.180 nan 0.000 0.694 39 G N -0.426 108.407 108.800 0.055 0.000 2.612 39 G HA2 -0.192 3.767 3.960 -0.000 0.000 0.686 39 G HA3 -0.192 3.767 3.960 -0.000 0.000 0.686 39 G C -0.971 173.764 174.900 -0.276 0.000 1.274 39 G CA -1.354 43.498 45.100 -0.412 0.000 0.849 39 G HN -0.048 nan 8.290 nan 0.000 0.595 40 F N 0.182 120.072 119.950 -0.101 0.000 2.411 40 F HA 0.611 5.138 4.527 -0.000 0.000 0.355 40 F C 1.208 177.075 175.800 0.111 0.000 1.117 40 F CA -0.627 57.396 58.000 0.038 0.000 1.139 40 F CB 1.300 40.275 39.000 -0.042 0.000 1.120 40 F HN 0.554 nan 8.300 nan 0.000 0.493 41 I N 3.457 124.203 120.570 0.294 0.000 2.783 41 I HA 0.297 4.467 4.170 -0.000 0.000 0.312 41 I C -0.059 176.061 176.117 0.005 0.000 0.988 41 I CA -0.422 60.948 61.300 0.117 0.000 1.182 41 I CB 1.021 39.034 38.000 0.022 0.000 1.368 41 I HN 0.822 nan 8.210 nan 0.000 0.511 42 N N 2.137 120.604 118.700 -0.387 0.000 2.862 42 N HA -0.179 4.561 4.740 -0.000 0.000 0.246 42 N C -1.317 173.579 175.510 -1.024 0.000 1.111 42 N CA 0.212 52.705 53.050 -0.928 0.000 0.688 42 N CB -1.306 36.781 38.487 -0.666 0.000 1.018 42 N HN 0.571 nan 8.380 nan 0.000 0.556 43 H N -1.789 116.732 119.070 -0.915 0.000 2.985 43 H HA 0.477 5.033 4.556 -0.000 0.000 0.360 43 H C -0.959 173.996 175.328 -0.622 0.000 1.221 43 H CA -0.425 55.306 56.048 -0.528 0.000 1.121 43 H CB 0.756 30.297 29.762 -0.368 0.000 1.854 43 H HN 0.141 nan 8.280 nan 0.000 0.551 44 W N 1.636 122.884 121.300 -0.086 0.000 2.315 44 W HA 0.430 5.090 4.660 -0.000 0.000 0.316 44 W C -0.883 175.459 176.519 -0.296 0.000 1.211 44 W CA 0.019 57.348 57.345 -0.026 0.000 1.201 44 W CB 0.503 29.982 29.460 0.032 0.000 1.184 44 W HN 0.375 nan 8.180 nan 0.000 0.544 45 Y N 3.134 123.575 120.300 0.234 0.000 2.524 45 Y HA 0.353 4.903 4.550 -0.000 0.000 0.347 45 Y C -1.967 173.747 175.900 -0.309 0.000 1.005 45 Y CA -2.904 55.165 58.100 -0.052 0.000 1.025 45 Y CB 2.082 40.444 38.460 -0.162 0.000 1.275 45 Y HN 0.136 nan 8.280 nan 0.000 0.460 46 P HA 0.172 nan 4.420 nan 0.000 0.276 46 P C -0.507 176.145 177.300 -1.079 0.000 1.230 46 P CA 0.281 62.363 63.100 -1.696 0.000 0.776 46 P CB 1.980 31.824 31.700 -3.095 0.000 0.888 47 A N 4.571 126.988 122.820 -0.673 0.000 1.970 47 A HA 0.368 4.688 4.320 -0.000 0.000 0.204 47 A C 0.715 178.320 177.584 0.036 0.000 1.325 47 A CA 0.789 52.723 52.037 -0.172 0.000 0.767 47 A CB 0.014 18.952 19.000 -0.102 0.000 0.949 47 A HN 0.522 nan 8.150 nan 0.000 0.481 48 L N -1.901 119.279 121.223 -0.072 0.000 2.540 48 L HA 0.472 4.812 4.340 -0.000 0.000 0.256 48 L C -1.385 175.451 176.870 -0.057 0.000 1.001 48 L CA -0.835 54.025 54.840 0.033 0.000 0.843 48 L CB 2.073 44.151 42.059 0.033 0.000 1.436 48 L HN 0.295 nan 8.230 nan 0.000 0.410 49 F N -0.257 119.702 119.950 0.014 0.000 2.382 49 F HA 0.159 4.686 4.527 -0.000 0.000 0.331 49 F C 1.690 177.358 175.800 -0.220 0.000 1.121 49 F CA -0.046 57.853 58.000 -0.168 0.000 1.183 49 F CB 1.522 40.213 39.000 -0.514 0.000 1.207 49 F HN 0.525 nan 8.300 nan 0.000 0.555 50 T N -0.061 114.547 114.554 0.089 0.000 2.737 50 T HA -0.283 4.067 4.350 -0.000 0.000 0.269 50 T C 1.657 176.406 174.700 0.082 0.000 1.040 50 T CA 2.184 64.326 62.100 0.071 0.000 1.142 50 T CB -0.623 68.304 68.868 0.098 0.000 0.861 50 T HN 0.683 nan 8.240 nan 0.000 0.456 51 H N 0.732 119.889 119.070 0.145 0.000 2.559 51 H HA 0.193 4.748 4.556 -0.000 0.000 0.273 51 H C 1.606 176.996 175.328 0.102 0.000 1.000 51 H CA 0.862 56.966 56.048 0.092 0.000 1.195 51 H CB -0.403 29.384 29.762 0.041 0.000 1.368 51 H HN 0.394 nan 8.280 nan 0.000 0.592 52 E N -0.164 120.049 120.200 0.022 0.000 2.474 52 E HA 0.152 4.502 4.350 -0.000 0.000 0.194 52 E C -0.486 176.165 176.600 0.086 0.000 1.041 52 E CA -0.028 56.433 56.400 0.103 0.000 0.874 52 E CB 0.491 30.236 29.700 0.075 0.000 0.914 52 E HN 0.299 nan 8.360 nan 0.000 0.498 53 L N 1.607 122.875 121.223 0.076 0.000 2.529 53 L HA 0.233 4.573 4.340 -0.000 0.000 0.260 53 L C -0.717 176.196 176.870 0.072 0.000 0.997 53 L CA -0.210 54.670 54.840 0.067 0.000 0.885 53 L CB 1.218 43.311 42.059 0.056 0.000 1.185 53 L HN -0.173 nan 8.230 nan 0.000 0.442 54 E N 1.188 121.431 120.200 0.071 0.000 2.359 54 E HA 0.230 4.580 4.350 -0.000 0.000 0.255 54 E C -0.592 176.045 176.600 0.061 0.000 1.191 54 E CA -0.857 55.583 56.400 0.066 0.000 0.952 54 E CB 0.759 30.496 29.700 0.061 0.000 1.152 54 E HN 0.436 nan 8.360 nan 0.000 0.496 55 E N 1.056 121.291 120.200 0.058 0.000 2.529 55 E HA -0.146 4.203 4.350 -0.000 0.000 0.259 55 E C -0.642 175.990 176.600 0.053 0.000 0.966 55 E CA 0.576 57.011 56.400 0.058 0.000 0.937 55 E CB -0.031 29.700 29.700 0.052 0.000 0.923 55 E HN 0.451 nan 8.360 nan 0.000 0.468 56 D N 1.594 122.030 120.400 0.060 0.000 3.046 56 D HA -0.238 4.402 4.640 -0.000 0.000 0.210 56 D C -0.543 175.781 176.300 0.040 0.000 1.124 56 D CA 1.326 55.354 54.000 0.048 0.000 0.986 56 D CB -0.933 39.886 40.800 0.033 0.000 1.118 56 D HN 0.702 nan 8.370 nan 0.000 0.416 57 Q N 0.189 120.018 119.800 0.048 0.000 2.259 57 Q HA 0.465 4.805 4.340 -0.000 0.000 0.249 57 Q C -0.746 175.282 176.000 0.046 0.000 0.914 57 Q CA -0.383 55.445 55.803 0.041 0.000 0.904 57 Q CB 1.328 30.093 28.738 0.044 0.000 1.213 57 Q HN 0.021 nan 8.270 nan 0.000 0.428 58 V N 3.593 123.527 119.914 0.034 0.000 2.495 58 V HA 0.402 4.522 4.120 -0.000 0.000 0.298 58 V C -0.839 175.268 176.094 0.021 0.000 1.031 58 V CA -0.627 61.696 62.300 0.037 0.000 0.871 58 V CB 1.729 33.574 31.823 0.037 0.000 0.988 58 V HN 0.817 nan 8.190 nan 0.000 0.432 59 Q N 2.434 122.245 119.800 0.018 0.000 2.315 59 Q HA 0.706 5.046 4.340 -0.000 0.000 0.273 59 Q C -0.490 175.488 176.000 -0.037 0.000 1.053 59 Q CA -0.143 55.653 55.803 -0.011 0.000 0.817 59 Q CB 2.269 31.002 28.738 -0.008 0.000 1.326 59 Q HN 0.914 nan 8.270 nan 0.000 0.423 60 G N 3.397 112.157 108.800 -0.067 0.000 2.388 60 G HA2 0.731 4.691 3.960 -0.000 0.000 0.330 60 G HA3 0.731 4.691 3.960 -0.000 0.000 0.330 60 G C -0.610 174.159 174.900 -0.218 0.000 1.142 60 G CA -0.479 44.562 45.100 -0.098 0.000 0.908 60 G HN 0.785 nan 8.290 nan 0.000 0.473 61 I N -1.954 118.447 120.570 -0.281 0.000 3.509 61 I HA 0.789 4.959 4.170 -0.000 0.000 0.311 61 I C -1.353 174.569 176.117 -0.325 0.000 1.178 61 I CA -1.353 59.621 61.300 -0.542 0.000 0.963 61 I CB 2.469 40.032 38.000 -0.727 0.000 1.352 61 I HN 0.471 nan 8.210 nan 0.000 0.482 62 Q N 1.534 121.170 119.800 -0.274 0.000 2.280 62 Q HA 0.644 4.984 4.340 -0.000 0.000 0.259 62 Q C -2.201 173.816 176.000 0.028 0.000 0.964 62 Q CA -0.492 55.266 55.803 -0.075 0.000 0.844 62 Q CB 2.665 31.395 28.738 -0.012 0.000 1.334 62 Q HN 0.701 nan 8.270 nan 0.000 0.423 63 I N 2.465 122.984 120.570 -0.086 0.000 2.533 63 I HA 0.314 4.484 4.170 -0.000 0.000 0.290 63 I C 0.015 176.005 176.117 -0.212 0.000 1.056 63 I CA -0.912 60.278 61.300 -0.184 0.000 1.057 63 I CB 2.063 39.880 38.000 -0.305 0.000 1.240 63 I HN 0.894 nan 8.210 nan 0.000 0.423 64 C N 4.947 124.114 119.300 -0.221 0.000 4.356 64 C HA -0.162 4.298 4.460 -0.000 0.000 0.296 64 C C 1.587 176.641 174.990 0.107 0.000 1.424 64 C CA 0.749 59.706 59.018 -0.101 0.000 2.000 64 C CB -2.468 25.165 27.740 -0.178 0.000 1.262 64 C HN 1.348 nan 8.230 nan 0.000 0.789 65 G N -1.952 106.968 108.800 0.200 0.000 2.184 65 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.264 65 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.264 65 G C -0.017 174.922 174.900 0.064 0.000 0.975 65 G CA 0.311 45.588 45.100 0.295 0.000 0.642 65 G HN 1.368 nan 8.290 nan 0.000 0.536 66 V N 3.354 123.253 119.914 -0.025 0.000 2.406 66 V HA 0.461 4.581 4.120 -0.000 0.000 0.272 66 V C -1.449 174.582 176.094 -0.105 0.000 1.043 66 V CA -1.447 60.803 62.300 -0.083 0.000 0.915 66 V CB 1.491 33.216 31.823 -0.164 0.000 0.988 66 V HN 0.235 nan 8.190 nan 0.000 0.466 67 P HA 0.437 nan 4.420 nan 0.000 0.281 67 P C -0.844 176.400 177.300 -0.092 0.000 1.252 67 P CA -0.038 63.022 63.100 -0.067 0.000 0.778 67 P CB 1.200 32.886 31.700 -0.023 0.000 0.895 68 I N 2.905 123.398 120.570 -0.128 0.000 2.582 68 I HA 0.388 4.558 4.170 -0.000 0.000 0.292 68 I C -0.169 175.912 176.117 -0.060 0.000 1.066 68 I CA -1.214 60.015 61.300 -0.118 0.000 1.053 68 I CB 2.731 40.578 38.000 -0.255 0.000 1.241 68 I HN 0.076 nan 8.210 nan 0.000 0.421 69 V N 7.304 127.224 119.914 0.011 0.000 2.628 69 V HA 0.647 4.767 4.120 -0.000 0.000 0.306 69 V C -1.142 174.991 176.094 0.066 0.000 1.045 69 V CA -0.361 61.955 62.300 0.027 0.000 0.905 69 V CB 1.944 33.797 31.823 0.050 0.000 0.997 69 V HN 0.524 nan 8.190 nan 0.000 0.436 70 L N 6.484 127.741 121.223 0.058 0.000 2.370 70 L HA 0.757 5.097 4.340 -0.000 0.000 0.266 70 L C -0.209 176.724 176.870 0.104 0.000 1.002 70 L CA -0.386 54.511 54.840 0.095 0.000 0.818 70 L CB 1.895 43.993 42.059 0.065 0.000 1.325 70 L HN 0.696 nan 8.230 nan 0.000 0.418 71 R N 1.512 122.106 120.500 0.156 0.000 2.651 71 R HA 0.554 4.893 4.340 -0.000 0.000 0.278 71 R C -1.321 175.101 176.300 0.204 0.000 1.010 71 R CA -0.814 55.377 56.100 0.150 0.000 0.896 71 R CB 1.966 32.347 30.300 0.135 0.000 1.211 71 R HN 0.708 nan 8.270 nan 0.000 0.456 72 R N 3.590 124.181 120.500 0.152 0.000 2.255 72 R HA 0.462 4.802 4.340 -0.000 0.000 0.326 72 R C -1.516 174.883 176.300 0.165 0.000 0.986 72 R CA -0.442 55.752 56.100 0.157 0.000 0.847 72 R CB 1.458 31.818 30.300 0.100 0.000 1.111 72 R HN 0.315 nan 8.270 nan 0.000 0.452 73 V N 5.577 125.629 119.914 0.230 0.000 2.525 73 V HA 0.215 4.335 4.120 -0.000 0.000 0.299 73 V C -0.433 175.769 176.094 0.179 0.000 1.034 73 V CA -1.005 61.407 62.300 0.187 0.000 0.863 73 V CB 1.675 33.605 31.823 0.178 0.000 0.999 73 V HN 0.993 nan 8.190 nan 0.000 0.423 74 N N 3.966 122.735 118.700 0.115 0.000 2.740 74 N HA -0.216 4.524 4.740 -0.000 0.000 0.248 74 N C 1.224 176.785 175.510 0.085 0.000 1.062 74 N CA 1.573 54.679 53.050 0.093 0.000 0.704 74 N CB -1.054 37.491 38.487 0.098 0.000 0.968 74 N HN 1.585 nan 8.380 nan 0.000 0.547 75 G N -1.016 107.830 108.800 0.078 0.000 2.245 75 G HA2 -0.389 3.571 3.960 -0.000 0.000 0.264 75 G HA3 -0.389 3.571 3.960 -0.000 0.000 0.264 75 G C 0.081 175.005 174.900 0.039 0.000 0.985 75 G CA 1.020 46.153 45.100 0.056 0.000 0.625 75 G HN 0.663 nan 8.290 nan 0.000 0.536 76 K N 0.567 120.998 120.400 0.052 0.000 2.156 76 K HA 0.608 4.927 4.320 -0.000 0.000 0.271 76 K C -0.026 176.539 176.600 -0.057 0.000 0.995 76 K CA -0.654 55.601 56.287 -0.053 0.000 0.890 76 K CB 1.443 33.867 32.500 -0.126 0.000 1.073 76 K HN 0.014 nan 8.250 nan 0.000 0.454 77 V N 5.407 125.227 119.914 -0.156 0.000 2.439 77 V HA 0.391 4.511 4.120 -0.000 0.000 0.282 77 V C -0.655 175.305 176.094 -0.223 0.000 1.039 77 V CA -0.493 61.771 62.300 -0.059 0.000 0.913 77 V CB 0.523 32.344 31.823 -0.003 0.000 0.983 77 V HN 0.584 nan 8.190 nan 0.000 0.460 78 F N 2.338 122.334 119.950 0.076 0.000 2.546 78 F HA 0.823 5.350 4.527 -0.000 0.000 0.320 78 F C 0.327 176.185 175.800 0.096 0.000 1.076 78 F CA -0.659 57.393 58.000 0.086 0.000 0.928 78 F CB 2.053 41.099 39.000 0.077 0.000 1.189 78 F HN 0.532 nan 8.300 nan 0.000 0.465 79 A N 3.193 126.193 122.820 0.301 0.000 2.374 79 A HA 0.890 5.210 4.320 -0.000 0.000 0.305 79 A C -1.678 176.088 177.584 0.303 0.000 1.053 79 A CA -0.470 51.723 52.037 0.261 0.000 0.726 79 A CB 0.974 20.119 19.000 0.242 0.000 1.229 79 A HN 0.610 nan 8.150 nan 0.000 0.431 80 L N 0.599 121.980 121.223 0.263 0.000 2.303 80 L HA 0.545 4.884 4.340 -0.000 0.000 0.256 80 L C 0.260 177.293 176.870 0.272 0.000 1.034 80 L CA -0.602 54.362 54.840 0.206 0.000 0.832 80 L CB 1.665 43.764 42.059 0.068 0.000 1.403 80 L HN 0.749 nan 8.230 nan 0.000 0.419 81 K N 0.806 121.350 120.400 0.239 0.000 2.416 81 K HA 0.018 4.338 4.320 -0.000 0.000 0.283 81 K C -0.461 176.157 176.600 0.031 0.000 1.037 81 K CA -0.144 56.268 56.287 0.209 0.000 0.995 81 K CB 0.363 32.944 32.500 0.135 0.000 0.938 81 K HN 0.499 nan 8.250 nan 0.000 0.475 82 D N 4.563 124.977 120.400 0.024 0.000 2.767 82 D HA -0.012 4.628 4.640 -0.000 0.000 0.231 82 D C -0.983 175.316 176.300 -0.001 0.000 1.105 82 D CA 0.509 54.514 54.000 0.007 0.000 1.024 82 D CB -0.116 40.686 40.800 0.004 0.000 1.123 82 D HN 0.473 nan 8.370 nan 0.000 0.470 83 Q N 2.035 121.810 119.800 -0.042 0.000 2.444 83 Q HA 0.160 4.500 4.340 -0.000 0.000 0.239 83 Q C -1.395 174.546 176.000 -0.098 0.000 0.853 83 Q CA -0.693 55.084 55.803 -0.043 0.000 0.856 83 Q CB 0.824 29.544 28.738 -0.031 0.000 1.413 83 Q HN 0.300 nan 8.270 nan 0.000 0.437 84 C N 5.161 124.427 119.300 -0.058 0.000 2.633 84 C HA 0.134 4.594 4.460 -0.000 0.000 0.415 84 C C 1.826 176.813 174.990 -0.006 0.000 1.393 84 C CA -0.284 58.727 59.018 -0.012 0.000 1.700 84 C CB -0.862 26.892 27.740 0.024 0.000 2.541 84 C HN 0.893 nan 8.230 nan 0.000 0.603 85 L N 4.639 125.921 121.223 0.099 0.000 2.551 85 L HA 0.066 4.406 4.340 -0.000 0.000 0.228 85 L C 2.087 178.981 176.870 0.040 0.000 1.153 85 L CA 1.575 56.477 54.840 0.103 0.000 0.851 85 L CB -1.500 40.691 42.059 0.220 0.000 0.959 85 L HN 0.919 nan 8.230 nan 0.000 0.451 86 H N 1.506 120.376 119.070 -0.334 0.000 2.265 86 H HA 0.117 4.672 4.556 -0.000 0.000 0.305 86 H C 0.791 175.904 175.328 -0.357 0.000 1.054 86 H CA 1.329 56.983 56.048 -0.656 0.000 1.296 86 H CB 0.374 29.205 29.762 -1.552 0.000 1.395 86 H HN 0.310 nan 8.280 nan 0.000 0.502 87 R N -0.506 119.691 120.500 -0.504 0.000 2.659 87 R HA 0.161 4.501 4.340 -0.000 0.000 0.418 87 R C 0.441 176.627 176.300 -0.191 0.000 1.076 87 R CA 0.390 56.231 56.100 -0.431 0.000 1.093 87 R CB 1.370 31.305 30.300 -0.609 0.000 1.400 87 R HN 0.665 nan 8.270 nan 0.000 0.583 88 G N 1.471 110.195 108.800 -0.127 0.000 2.168 88 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.257 88 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.257 88 G C 0.405 175.300 174.900 -0.008 0.000 0.997 88 G CA 0.591 45.658 45.100 -0.055 0.000 0.708 88 G HN 0.313 nan 8.290 nan 0.000 0.520 89 V N -2.934 116.975 119.914 -0.007 0.000 3.083 89 V HA 0.700 4.820 4.120 -0.000 0.000 0.306 89 V C 0.860 177.009 176.094 0.092 0.000 1.077 89 V CA -1.168 61.171 62.300 0.065 0.000 1.073 89 V CB 0.976 32.803 31.823 0.007 0.000 1.081 89 V HN 0.331 nan 8.190 nan 0.000 0.474 90 R N 2.208 122.828 120.500 0.199 0.000 2.267 90 R HA 0.388 4.728 4.340 -0.000 0.000 0.319 90 R C 1.018 177.517 176.300 0.333 0.000 1.067 90 R CA -0.335 55.880 56.100 0.192 0.000 0.936 90 R CB 0.917 31.308 30.300 0.153 0.000 1.006 90 R HN 0.772 nan 8.270 nan 0.000 0.452 91 L N 1.670 123.027 121.223 0.223 0.000 2.131 91 L HA -0.207 4.133 4.340 -0.000 0.000 0.210 91 L C 2.255 179.318 176.870 0.321 0.000 1.092 91 L CA 1.514 56.527 54.840 0.288 0.000 0.759 91 L CB -0.366 41.795 42.059 0.170 0.000 0.903 91 L HN 0.682 nan 8.230 nan 0.000 0.435 92 S N -1.292 114.523 115.700 0.191 0.000 2.561 92 S HA -0.089 4.381 4.470 -0.000 0.000 0.225 92 S C 1.551 176.177 174.600 0.044 0.000 0.977 92 S CA 0.362 58.622 58.200 0.100 0.000 0.926 92 S CB -0.177 63.047 63.200 0.041 0.000 0.769 92 S HN 0.462 nan 8.310 nan 0.000 0.533 93 E N 0.994 121.236 120.200 0.071 0.000 2.208 93 E HA 0.081 4.431 4.350 -0.000 0.000 0.193 93 E C 0.551 176.926 176.600 -0.375 0.000 0.988 93 E CA 0.645 56.970 56.400 -0.125 0.000 0.828 93 E CB 0.116 29.759 29.700 -0.095 0.000 0.763 93 E HN 0.352 nan 8.360 nan 0.000 0.478 94 K N 0.868 120.982 120.400 -0.476 0.000 2.950 94 K HA 0.216 4.536 4.320 -0.000 0.000 0.199 94 K C -2.896 173.622 176.600 -0.138 0.000 1.144 94 K CA -1.884 54.097 56.287 -0.511 0.000 0.983 94 K CB 1.572 33.439 32.500 -1.054 0.000 1.187 94 K HN -0.165 nan 8.250 nan 0.000 0.595 95 P HA -0.071 nan 4.420 nan 0.000 0.257 95 P C -1.071 176.225 177.300 -0.007 0.000 1.162 95 P CA 0.748 63.856 63.100 0.014 0.000 0.762 95 P CB 0.440 32.132 31.700 -0.014 0.000 0.753 96 T N 3.826 118.390 114.554 0.017 0.000 3.066 96 T HA 0.345 4.695 4.350 -0.000 0.000 0.318 96 T C -0.940 173.631 174.700 -0.216 0.000 0.979 96 T CA -0.204 61.821 62.100 -0.124 0.000 1.025 96 T CB 0.241 69.107 68.868 -0.003 0.000 1.002 96 T HN 0.267 nan 8.240 nan 0.000 0.453 97 C N 2.969 122.073 119.300 -0.327 0.000 2.397 97 C HA 0.480 4.940 4.460 -0.000 0.000 0.325 97 C C 0.982 175.776 174.990 -0.326 0.000 1.201 97 C CA -0.817 58.066 59.018 -0.225 0.000 1.377 97 C CB -0.444 27.252 27.740 -0.073 0.000 2.038 97 C HN 0.991 nan 8.230 nan 0.000 0.457 98 F N 1.325 121.297 119.950 0.036 0.000 2.619 98 F HA 0.127 4.654 4.527 -0.000 0.000 0.293 98 F C 1.722 177.529 175.800 0.013 0.000 1.119 98 F CA 0.433 58.447 58.000 0.024 0.000 1.445 98 F CB 0.151 39.161 39.000 0.017 0.000 1.119 98 F HN 0.644 nan 8.300 nan 0.000 0.573 99 T N -3.853 110.793 114.554 0.154 0.000 2.883 99 T HA 0.303 4.653 4.350 -0.000 0.000 0.296 99 T C 0.653 175.375 174.700 0.036 0.000 1.117 99 T CA -0.932 61.219 62.100 0.085 0.000 1.006 99 T CB 2.154 71.065 68.868 0.071 0.000 1.191 99 T HN -0.288 nan 8.240 nan 0.000 0.508 100 K N 0.939 121.352 120.400 0.022 0.000 2.280 100 K HA -0.027 4.293 4.320 -0.000 0.000 0.202 100 K C 1.968 178.540 176.600 -0.046 0.000 1.047 100 K CA 1.548 57.838 56.287 0.005 0.000 0.942 100 K CB -0.375 32.137 32.500 0.021 0.000 0.739 100 K HN 0.803 nan 8.250 nan 0.000 0.457 101 S N -0.427 115.242 115.700 -0.053 0.000 2.572 101 S HA 0.053 4.523 4.470 -0.000 0.000 0.228 101 S C 0.596 175.126 174.600 -0.117 0.000 0.963 101 S CA -0.302 57.826 58.200 -0.119 0.000 0.939 101 S CB -0.084 63.072 63.200 -0.073 0.000 0.804 101 S HN 0.257 nan 8.310 nan 0.000 0.480 102 T N -1.173 113.348 114.554 -0.056 0.000 2.787 102 T HA 0.737 5.087 4.350 -0.000 0.000 0.297 102 T C -1.128 173.598 174.700 0.043 0.000 1.221 102 T CA -0.894 61.207 62.100 0.001 0.000 1.006 102 T CB 1.523 70.418 68.868 0.045 0.000 1.328 102 T HN 0.352 nan 8.240 nan 0.000 0.509 103 I N 0.594 121.235 120.570 0.118 0.000 2.607 103 I HA 0.635 4.804 4.170 -0.000 0.000 0.290 103 I C -1.186 175.082 176.117 0.251 0.000 1.129 103 I CA -0.398 60.993 61.300 0.152 0.000 1.042 103 I CB 2.091 40.182 38.000 0.152 0.000 1.242 103 I HN 0.853 nan 8.210 nan 0.000 0.421 104 S N 5.417 121.254 115.700 0.228 0.000 2.621 104 S HA 0.415 4.885 4.470 -0.000 0.000 0.302 104 S C -0.933 173.844 174.600 0.296 0.000 1.093 104 S CA -0.544 57.825 58.200 0.282 0.000 1.017 104 S CB 1.749 65.169 63.200 0.368 0.000 1.077 104 S HN 0.739 nan 8.310 nan 0.000 0.517 105 C N 4.391 123.865 119.300 0.289 0.000 2.435 105 C HA 0.365 4.825 4.460 -0.000 0.000 0.375 105 C C 1.787 176.835 174.990 0.097 0.000 1.281 105 C CA -0.812 58.290 59.018 0.140 0.000 1.963 105 C CB -0.991 26.812 27.740 0.105 0.000 2.490 105 C HN 1.043 nan 8.230 nan 0.000 0.557 106 W N 4.083 125.484 121.300 0.169 0.000 2.611 106 W HA -0.051 4.609 4.660 -0.000 0.000 0.251 106 W C 1.315 177.913 176.519 0.130 0.000 1.265 106 W CA 0.259 57.675 57.345 0.119 0.000 1.295 106 W CB -1.220 28.262 29.460 0.037 0.000 1.129 106 W HN 0.917 nan 8.180 nan 0.000 0.630 107 Y N 1.332 121.308 120.300 -0.540 0.000 2.170 107 Y HA -0.129 4.421 4.550 -0.000 0.000 0.280 107 Y C 1.663 177.268 175.900 -0.491 0.000 1.097 107 Y CA 1.765 59.501 58.100 -0.608 0.000 1.087 107 Y CB -0.324 37.542 38.460 -0.990 0.000 1.016 107 Y HN -0.104 nan 8.280 nan 0.000 0.485 108 H N -1.176 117.952 119.070 0.096 0.000 2.581 108 H HA 0.289 4.845 4.556 -0.000 0.000 0.275 108 H C 0.999 176.402 175.328 0.125 0.000 1.126 108 H CA 0.429 56.518 56.048 0.068 0.000 1.097 108 H CB 0.885 30.616 29.762 -0.051 0.000 1.626 108 H HN 0.576 nan 8.280 nan 0.000 0.565 109 G N 0.430 109.364 108.800 0.224 0.000 2.162 109 G HA2 -0.326 3.634 3.960 -0.000 0.000 0.260 109 G HA3 -0.326 3.634 3.960 -0.000 0.000 0.260 109 G C -0.071 174.939 174.900 0.183 0.000 0.976 109 G CA -0.333 44.888 45.100 0.202 0.000 0.655 109 G HN 0.218 nan 8.290 nan 0.000 0.533 110 F N 2.094 121.994 119.950 -0.083 0.000 2.602 110 F HA 0.400 4.927 4.527 -0.000 0.000 0.385 110 F C 1.256 176.802 175.800 -0.423 0.000 1.063 110 F CA 0.736 58.571 58.000 -0.275 0.000 1.233 110 F CB 0.696 39.590 39.000 -0.176 0.000 1.067 110 F HN -0.023 nan 8.300 nan 0.000 0.564 111 T N 5.558 119.805 114.554 -0.512 0.000 2.807 111 T HA 0.616 4.966 4.350 -0.000 0.000 0.279 111 T C -0.840 173.467 174.700 -0.654 0.000 0.993 111 T CA -0.425 61.443 62.100 -0.386 0.000 0.970 111 T CB 0.606 69.394 68.868 -0.134 0.000 0.950 111 T HN 0.127 nan 8.240 nan 0.000 0.441 112 F N 1.018 121.008 119.950 0.067 0.000 2.522 112 F HA 0.446 4.973 4.527 -0.000 0.000 0.324 112 F C 0.457 176.260 175.800 0.005 0.000 1.077 112 F CA -1.460 56.563 58.000 0.038 0.000 0.944 112 F CB 1.083 40.117 39.000 0.057 0.000 1.175 112 F HN 0.413 nan 8.300 nan 0.000 0.468 113 D N 1.901 122.393 120.400 0.153 0.000 2.383 113 D HA 0.189 4.829 4.640 -0.000 0.000 0.252 113 D C 0.981 177.296 176.300 0.025 0.000 1.166 113 D CA 0.173 54.201 54.000 0.047 0.000 0.879 113 D CB 0.900 41.717 40.800 0.029 0.000 1.164 113 D HN 0.533 nan 8.370 nan 0.000 0.462 114 L N 2.835 123.993 121.223 -0.108 0.000 2.046 114 L HA -0.128 4.212 4.340 -0.000 0.000 0.208 114 L C 2.106 178.907 176.870 -0.114 0.000 1.077 114 L CA 1.130 55.831 54.840 -0.233 0.000 0.747 114 L CB -0.345 41.275 42.059 -0.733 0.000 0.896 114 L HN 0.543 nan 8.230 nan 0.000 0.432 115 E N 0.082 120.223 120.200 -0.098 0.000 2.046 115 E HA -0.177 4.173 4.350 -0.000 0.000 0.190 115 E C 1.964 178.634 176.600 0.116 0.000 0.982 115 E CA 1.969 58.446 56.400 0.129 0.000 0.800 115 E CB 0.066 29.829 29.700 0.106 0.000 0.756 115 E HN 0.465 nan 8.360 nan 0.000 0.449 116 T N -4.678 109.914 114.554 0.065 0.000 2.985 116 T HA 0.341 4.691 4.350 -0.000 0.000 0.254 116 T C 1.542 176.274 174.700 0.054 0.000 1.021 116 T CA 0.454 62.587 62.100 0.055 0.000 0.957 116 T CB 0.525 69.419 68.868 0.043 0.000 1.047 116 T HN 0.333 nan 8.240 nan 0.000 0.511 117 G N 1.903 110.748 108.800 0.075 0.000 2.184 117 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.264 117 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.264 117 G C 0.035 175.050 174.900 0.192 0.000 0.975 117 G CA 0.488 45.650 45.100 0.103 0.000 0.642 117 G HN 0.868 nan 8.290 nan 0.000 0.536 118 K N 0.203 120.688 120.400 0.142 0.000 2.436 118 K HA 0.357 4.677 4.320 -0.000 0.000 0.275 118 K C 0.527 177.224 176.600 0.161 0.000 0.999 118 K CA -0.735 55.632 56.287 0.133 0.000 0.980 118 K CB 0.239 32.773 32.500 0.057 0.000 0.919 118 K HN 0.271 nan 8.250 nan 0.000 0.484 119 L N 7.135 128.429 121.223 0.120 0.000 2.454 119 L HA 0.033 4.373 4.340 -0.000 0.000 0.284 119 L C 0.678 177.450 176.870 -0.163 0.000 1.139 119 L CA 0.250 55.022 54.840 -0.112 0.000 0.911 119 L CB 0.591 42.586 42.059 -0.107 0.000 1.262 119 L HN 0.600 nan 8.230 nan 0.000 0.453 120 V N 1.623 121.432 119.914 -0.176 0.000 2.951 120 V HA 0.256 4.376 4.120 -0.000 0.000 0.255 120 V C 0.906 176.893 176.094 -0.180 0.000 1.088 120 V CA 1.199 63.417 62.300 -0.136 0.000 1.109 120 V CB -0.651 31.119 31.823 -0.089 0.000 0.724 120 V HN 0.900 nan 8.190 nan 0.000 0.471 121 T N -1.089 113.306 114.554 -0.266 0.000 2.636 121 T HA 0.517 4.867 4.350 -0.000 0.000 0.298 121 T C -2.153 172.322 174.700 -0.375 0.000 1.849 121 T CA -0.376 61.558 62.100 -0.276 0.000 0.963 121 T CB 1.188 69.939 68.868 -0.194 0.000 1.907 121 T HN 0.209 nan 8.240 nan 0.000 0.496 122 I N 2.809 123.176 120.570 -0.338 0.000 2.468 122 I HA 0.308 4.478 4.170 -0.000 0.000 0.284 122 I C 1.633 177.630 176.117 -0.199 0.000 1.038 122 I CA -0.894 60.206 61.300 -0.333 0.000 1.083 122 I CB 1.999 39.725 38.000 -0.457 0.000 1.223 122 I HN 0.551 nan 8.210 nan 0.000 0.443 123 V N 4.543 124.368 119.914 -0.149 0.000 2.242 123 V HA -0.383 3.737 4.120 -0.000 0.000 0.257 123 V C 1.859 177.871 176.094 -0.136 0.000 1.073 123 V CA 2.752 64.951 62.300 -0.168 0.000 1.058 123 V CB -0.636 31.096 31.823 -0.150 0.000 0.664 123 V HN 0.927 nan 8.190 nan 0.000 0.451 124 A N -0.672 122.097 122.820 -0.085 0.000 2.610 124 A HA 0.414 4.734 4.320 -0.000 0.000 0.286 124 A C 0.675 178.217 177.584 -0.070 0.000 1.306 124 A CA 0.356 52.353 52.037 -0.065 0.000 0.942 124 A CB -0.345 18.641 19.000 -0.023 0.000 1.112 124 A HN 0.544 nan 8.150 nan 0.000 0.527 125 N N -0.055 118.581 118.700 -0.106 0.000 2.658 125 N HA 0.120 4.860 4.740 -0.000 0.000 0.238 125 N C -2.357 173.061 175.510 -0.153 0.000 1.495 125 N CA -0.837 52.143 53.050 -0.116 0.000 0.883 125 N CB 0.852 39.267 38.487 -0.121 0.000 1.463 125 N HN 0.029 nan 8.380 nan 0.000 0.531 126 P HA -0.074 nan 4.420 nan 0.000 0.226 126 P C -0.091 177.133 177.300 -0.128 0.000 1.146 126 P CA 1.204 64.220 63.100 -0.140 0.000 0.773 126 P CB 0.425 32.056 31.700 -0.115 0.000 0.772 127 E N -0.317 119.816 120.200 -0.112 0.000 2.548 127 E HA 0.092 4.442 4.350 -0.000 0.000 0.206 127 E C -0.192 176.348 176.600 -0.100 0.000 1.005 127 E CA -0.320 56.023 56.400 -0.095 0.000 0.951 127 E CB 0.023 29.680 29.700 -0.072 0.000 1.035 127 E HN 0.281 nan 8.360 nan 0.000 0.470 128 D N 2.166 122.488 120.400 -0.130 0.000 2.424 128 D HA -0.047 4.592 4.640 -0.000 0.000 0.244 128 D C 1.394 177.625 176.300 -0.115 0.000 1.134 128 D CA 0.213 54.137 54.000 -0.127 0.000 0.881 128 D CB 0.908 41.603 40.800 -0.176 0.000 1.191 128 D HN 0.016 nan 8.370 nan 0.000 0.445 129 K N 2.797 123.148 120.400 -0.082 0.000 2.360 129 K HA -0.151 4.169 4.320 -0.000 0.000 0.201 129 K C 1.594 178.154 176.600 -0.068 0.000 1.046 129 K CA 0.739 56.987 56.287 -0.065 0.000 0.945 129 K CB -0.075 32.400 32.500 -0.043 0.000 0.750 129 K HN 0.369 nan 8.250 nan 0.000 0.464 130 L N 1.661 122.833 121.223 -0.086 0.000 2.217 130 L HA 0.168 4.508 4.340 -0.000 0.000 0.211 130 L C 0.595 177.397 176.870 -0.112 0.000 1.107 130 L CA 0.746 55.540 54.840 -0.077 0.000 0.783 130 L CB -0.056 41.963 42.059 -0.067 0.000 0.919 130 L HN 0.169 nan 8.230 nan 0.000 0.442 131 I N 0.570 121.039 120.570 -0.169 0.000 2.752 131 I HA 0.068 4.238 4.170 -0.000 0.000 0.289 131 I C 1.656 177.708 176.117 -0.109 0.000 1.197 131 I CA 0.913 62.103 61.300 -0.183 0.000 1.432 131 I CB -0.274 37.605 38.000 -0.202 0.000 1.359 131 I HN 0.474 nan 8.210 nan 0.000 0.571 132 G N 3.974 112.720 108.800 -0.089 0.000 2.245 132 G HA2 -0.360 3.600 3.960 -0.000 0.000 0.264 132 G HA3 -0.360 3.600 3.960 -0.000 0.000 0.264 132 G C 0.909 175.796 174.900 -0.022 0.000 0.985 132 G CA 0.756 45.826 45.100 -0.048 0.000 0.625 132 G HN 0.759 nan 8.290 nan 0.000 0.536 133 T N -2.950 111.592 114.554 -0.021 0.000 3.129 133 T HA 0.485 4.835 4.350 -0.000 0.000 0.251 133 T C 0.772 175.485 174.700 0.022 0.000 1.117 133 T CA 1.754 63.853 62.100 -0.002 0.000 1.034 133 T CB 0.696 69.561 68.868 -0.006 0.000 0.968 133 T HN 1.332 nan 8.240 nan 0.000 0.526 134 T N -1.532 113.046 114.554 0.040 0.000 2.658 134 T HA 0.613 4.962 4.350 -0.000 0.000 0.305 134 T C -1.251 173.522 174.700 0.122 0.000 1.551 134 T CA 0.108 62.253 62.100 0.075 0.000 0.985 134 T CB 1.181 70.105 68.868 0.093 0.000 1.731 134 T HN 0.734 nan 8.240 nan 0.000 0.486 135 G N -0.187 108.707 108.800 0.157 0.000 2.430 135 G HA2 0.564 4.524 3.960 -0.000 0.000 0.300 135 G HA3 0.564 4.524 3.960 -0.000 0.000 0.300 135 G C -0.995 173.976 174.900 0.119 0.000 1.330 135 G CA 0.144 45.386 45.100 0.237 0.000 0.813 135 G HN 1.544 nan 8.290 nan 0.000 0.487 136 V N -2.116 117.806 119.914 0.012 0.000 2.966 136 V HA 0.849 4.969 4.120 -0.000 0.000 0.317 136 V C 0.516 176.547 176.094 -0.104 0.000 1.070 136 V CA -0.580 61.644 62.300 -0.125 0.000 1.008 136 V CB 1.217 32.828 31.823 -0.352 0.000 1.070 136 V HN 0.892 nan 8.190 nan 0.000 0.457 137 T N 3.027 117.501 114.554 -0.133 0.000 2.930 137 T HA 0.409 4.759 4.350 -0.000 0.000 0.306 137 T C 0.450 174.905 174.700 -0.409 0.000 1.045 137 T CA 0.534 62.480 62.100 -0.257 0.000 1.134 137 T CB 0.397 69.082 68.868 -0.305 0.000 0.961 137 T HN 1.233 nan 8.240 nan 0.000 0.545 138 T N 0.239 114.526 114.554 -0.444 0.000 2.945 138 T HA 0.662 5.012 4.350 -0.000 0.000 0.286 138 T C -1.246 173.074 174.700 -0.634 0.000 1.025 138 T CA -0.850 61.041 62.100 -0.349 0.000 1.039 138 T CB 0.791 69.611 68.868 -0.080 0.000 1.068 138 T HN 0.491 nan 8.240 nan 0.000 0.497 139 Y N 0.453 120.793 120.300 0.066 0.000 2.373 139 Y HA 0.487 5.037 4.550 -0.000 0.000 0.336 139 Y C -2.540 173.398 175.900 0.064 0.000 0.979 139 Y CA -2.604 55.525 58.100 0.047 0.000 1.080 139 Y CB 1.828 40.291 38.460 0.004 0.000 1.190 139 Y HN 0.512 nan 8.280 nan 0.000 0.446 140 P HA 0.064 nan 4.420 nan 0.000 0.267 140 P C -0.900 176.541 177.300 0.235 0.000 1.200 140 P CA 0.056 63.242 63.100 0.143 0.000 0.772 140 P CB 0.745 32.472 31.700 0.043 0.000 0.855 141 V N 3.450 123.539 119.914 0.291 0.000 2.735 141 V HA 0.385 4.505 4.120 -0.000 0.000 0.310 141 V C -0.472 175.857 176.094 0.393 0.000 1.061 141 V CA -0.320 62.189 62.300 0.349 0.000 0.913 141 V CB 1.918 33.825 31.823 0.141 0.000 1.005 141 V HN 0.604 nan 8.190 nan 0.000 0.428 142 H N 3.407 122.667 119.070 0.316 0.000 3.177 142 H HA 0.406 4.962 4.556 -0.000 0.000 0.314 142 H C -0.841 174.549 175.328 0.103 0.000 1.059 142 H CA -0.379 55.716 56.048 0.078 0.000 1.515 142 H CB 1.409 31.011 29.762 -0.268 0.000 1.672 142 H HN 0.814 nan 8.280 nan 0.000 0.514 143 E N 4.158 124.507 120.200 0.248 0.000 2.175 143 E HA 0.529 4.878 4.350 -0.000 0.000 0.278 143 E C -1.351 175.381 176.600 0.219 0.000 0.969 143 E CA -0.774 55.745 56.400 0.198 0.000 0.796 143 E CB 1.504 31.253 29.700 0.081 0.000 1.104 143 E HN 0.284 nan 8.360 nan 0.000 0.395 144 V N 5.366 125.405 119.914 0.210 0.000 2.852 144 V HA 0.203 4.323 4.120 -0.000 0.000 0.300 144 V C -1.262 174.912 176.094 0.133 0.000 1.205 144 V CA -0.707 61.690 62.300 0.162 0.000 0.940 144 V CB 1.819 33.737 31.823 0.160 0.000 1.047 144 V HN 0.965 nan 8.190 nan 0.000 0.429 145 N N 4.658 123.418 118.700 0.099 0.000 2.699 145 N HA -0.207 4.533 4.740 -0.000 0.000 0.256 145 N C 1.059 176.635 175.510 0.109 0.000 0.993 145 N CA 1.966 55.071 53.050 0.092 0.000 0.759 145 N CB -1.000 37.539 38.487 0.087 0.000 0.906 145 N HN 1.952 nan 8.380 nan 0.000 0.541 146 G N -1.724 107.142 108.800 0.109 0.000 2.176 146 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.253 146 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.253 146 G C 0.017 175.023 174.900 0.176 0.000 0.979 146 G CA 0.540 45.723 45.100 0.139 0.000 0.641 146 G HN 0.428 nan 8.290 nan 0.000 0.530 147 M N 0.294 119.948 119.600 0.089 0.000 2.395 147 M HA 0.593 5.073 4.480 -0.000 0.000 0.307 147 M C -0.395 175.790 176.300 -0.191 0.000 1.091 147 M CA -0.703 54.526 55.300 -0.119 0.000 0.919 147 M CB 2.417 34.821 32.600 -0.327 0.000 1.662 147 M HN 0.022 nan 8.290 nan 0.000 0.440 148 I N 3.017 123.392 120.570 -0.324 0.000 2.328 148 I HA 0.356 4.526 4.170 -0.000 0.000 0.287 148 I C -1.112 174.779 176.117 -0.377 0.000 1.012 148 I CA -0.283 60.904 61.300 -0.189 0.000 1.195 148 I CB 0.530 38.477 38.000 -0.088 0.000 1.350 148 I HN 0.494 nan 8.210 nan 0.000 0.464 149 F N 5.526 125.440 119.950 -0.061 0.000 2.397 149 F HA 0.575 5.102 4.527 -0.000 0.000 0.331 149 F C 0.173 176.140 175.800 0.279 0.000 1.090 149 F CA -0.657 57.341 58.000 -0.003 0.000 1.065 149 F CB 1.685 40.656 39.000 -0.047 0.000 1.184 149 F HN 0.009 nan 8.300 nan 0.000 0.499 150 V N 3.213 123.386 119.914 0.433 0.000 2.709 150 V HA 0.245 4.365 4.120 -0.000 0.000 0.308 150 V C -1.015 175.130 176.094 0.084 0.000 1.062 150 V CA -0.974 61.495 62.300 0.282 0.000 0.901 150 V CB 1.981 33.853 31.823 0.082 0.000 1.003 150 V HN 0.521 nan 8.190 nan 0.000 0.425 151 F N 5.278 124.897 119.950 -0.552 0.000 2.423 151 F HA 0.465 4.992 4.527 -0.000 0.000 0.356 151 F C 0.204 175.817 175.800 -0.312 0.000 1.170 151 F CA -0.389 57.056 58.000 -0.926 0.000 1.163 151 F CB 0.682 38.760 39.000 -1.538 0.000 1.318 151 F HN 0.291 nan 8.300 nan 0.000 0.569 152 V N 7.678 127.284 119.914 -0.513 0.000 2.405 152 V HA 0.308 4.428 4.120 -0.000 0.000 0.264 152 V C 0.081 175.879 176.094 -0.495 0.000 1.048 152 V CA -0.230 61.848 62.300 -0.370 0.000 0.966 152 V CB 0.004 31.675 31.823 -0.254 0.000 1.015 152 V HN 0.755 nan 8.190 nan 0.000 0.477 153 R N 3.036 123.438 120.500 -0.165 0.000 2.888 153 R HA 0.698 5.038 4.340 -0.000 0.000 0.266 153 R C -0.682 175.644 176.300 0.044 0.000 1.020 153 R CA -1.014 54.952 56.100 -0.223 0.000 0.963 153 R CB 1.914 32.113 30.300 -0.168 0.000 1.197 153 R HN 0.533 nan 8.270 nan 0.000 0.481 154 E N 0.587 120.804 120.200 0.028 0.000 2.392 154 E HA -0.015 4.335 4.350 -0.000 0.000 0.259 154 E C -0.117 176.555 176.600 0.119 0.000 1.108 154 E CA -0.446 56.007 56.400 0.089 0.000 0.916 154 E CB 0.591 30.356 29.700 0.108 0.000 0.989 154 E HN 0.536 nan 8.360 nan 0.000 0.432 155 D N 1.470 121.918 120.400 0.080 0.000 2.190 155 D HA -0.169 4.471 4.640 -0.000 0.000 0.200 155 D C 0.957 177.291 176.300 0.058 0.000 0.992 155 D CA 1.377 55.404 54.000 0.046 0.000 0.854 155 D CB -0.141 40.675 40.800 0.027 0.000 0.936 155 D HN 0.479 nan 8.370 nan 0.000 0.462 156 D N -1.033 119.420 120.400 0.088 0.000 2.368 156 D HA -0.057 4.583 4.640 -0.000 0.000 0.218 156 D C 0.011 176.380 176.300 0.115 0.000 1.112 156 D CA -0.636 53.410 54.000 0.077 0.000 0.834 156 D CB -1.003 39.826 40.800 0.049 0.000 0.953 156 D HN 0.048 nan 8.370 nan 0.000 0.505 157 F N 3.269 123.236 119.950 0.029 0.000 2.472 157 F HA 0.286 4.813 4.527 -0.000 0.000 0.364 157 F C -1.948 173.876 175.800 0.041 0.000 1.090 157 F CA -2.250 55.783 58.000 0.054 0.000 1.188 157 F CB 0.591 39.654 39.000 0.106 0.000 1.105 157 F HN -0.174 nan 8.300 nan 0.000 0.536 158 P HA 0.031 nan 4.420 nan 0.000 0.271 158 P C -0.202 177.041 177.300 -0.095 0.000 1.216 158 P CA -0.067 62.919 63.100 -0.189 0.000 0.776 158 P CB 0.977 32.531 31.700 -0.243 0.000 0.881 159 D N 1.587 121.980 120.400 -0.011 0.000 2.123 159 D HA -0.188 4.452 4.640 -0.000 0.000 0.196 159 D C 1.731 178.021 176.300 -0.018 0.000 0.992 159 D CA 1.451 55.463 54.000 0.020 0.000 0.833 159 D CB -0.211 40.596 40.800 0.012 0.000 0.954 159 D HN 0.602 nan 8.370 nan 0.000 0.455 160 E N 0.496 120.664 120.200 -0.054 0.000 2.409 160 E HA -0.155 4.194 4.350 -0.000 0.000 0.198 160 E C 0.426 176.982 176.600 -0.073 0.000 1.024 160 E CA 0.817 57.183 56.400 -0.056 0.000 0.861 160 E CB -0.087 29.579 29.700 -0.057 0.000 0.788 160 E HN 0.208 nan 8.360 nan 0.000 0.521 161 D N 0.958 121.281 120.400 -0.130 0.000 2.360 161 D HA 0.074 4.714 4.640 -0.000 0.000 0.210 161 D C 0.072 176.425 176.300 0.088 0.000 1.047 161 D CA 0.010 53.929 54.000 -0.136 0.000 0.854 161 D CB 0.535 41.020 40.800 -0.525 0.000 0.936 161 D HN -0.045 nan 8.370 nan 0.000 0.514 162 V N 4.483 124.434 119.914 0.061 0.000 2.493 162 V HA 0.077 4.197 4.120 -0.000 0.000 0.292 162 V C -1.535 174.455 176.094 -0.174 0.000 1.016 162 V CA -0.689 61.473 62.300 -0.230 0.000 1.097 162 V CB 0.404 32.011 31.823 -0.360 0.000 0.947 162 V HN 0.088 nan 8.190 nan 0.000 0.479 163 P HA 0.420 nan 4.420 nan 0.000 0.278 163 P C -2.780 174.521 177.300 0.002 0.000 1.266 163 P CA -2.023 61.051 63.100 -0.043 0.000 0.807 163 P CB 0.628 32.386 31.700 0.095 0.000 1.094 164 P HA 0.045 nan 4.420 nan 0.000 0.275 164 P C 1.076 178.103 177.300 -0.454 0.000 1.228 164 P CA -0.396 62.516 63.100 -0.314 0.000 0.786 164 P CB 0.751 32.204 31.700 -0.411 0.000 0.927 165 L N 3.969 124.656 121.223 -0.893 0.000 2.051 165 L HA -0.259 4.081 4.340 -0.000 0.000 0.214 165 L C 2.372 178.798 176.870 -0.740 0.000 1.076 165 L CA 2.684 56.659 54.840 -1.442 0.000 0.758 165 L CB -1.675 39.338 42.059 -1.744 0.000 0.890 165 L HN 0.500 nan 8.230 nan 0.000 0.433 166 A N -1.519 120.990 122.820 -0.518 0.000 1.986 166 A HA -0.295 4.025 4.320 -0.000 0.000 0.220 166 A C 2.133 179.662 177.584 -0.091 0.000 1.171 166 A CA 1.993 53.855 52.037 -0.291 0.000 0.640 166 A CB -1.216 17.675 19.000 -0.181 0.000 0.811 166 A HN 0.797 nan 8.150 nan 0.000 0.451 167 H N -1.470 117.497 119.070 -0.172 0.000 2.521 167 H HA -0.069 4.487 4.556 -0.000 0.000 0.286 167 H C 0.328 175.621 175.328 -0.059 0.000 1.034 167 H CA 0.750 56.749 56.048 -0.082 0.000 1.278 167 H CB 0.227 29.988 29.762 -0.001 0.000 1.386 167 H HN 0.400 nan 8.280 nan 0.000 0.567 168 D N 0.275 120.708 120.400 0.055 0.000 2.501 168 D HA 0.225 4.865 4.640 -0.000 0.000 0.226 168 D C -0.355 175.897 176.300 -0.080 0.000 1.198 168 D CA 0.142 54.180 54.000 0.063 0.000 0.830 168 D CB 0.601 41.552 40.800 0.252 0.000 1.014 168 D HN 0.201 nan 8.370 nan 0.000 0.496 169 L N 0.296 121.401 121.223 -0.197 0.000 2.354 169 L HA 0.472 4.812 4.340 -0.000 0.000 0.264 169 L C -2.302 174.372 176.870 -0.326 0.000 1.008 169 L CA -2.281 52.398 54.840 -0.269 0.000 0.819 169 L CB 2.407 44.252 42.059 -0.356 0.000 1.339 169 L HN -0.312 nan 8.230 nan 0.000 0.420 170 P HA -0.053 nan 4.420 nan 0.000 0.269 170 P C -0.805 176.323 177.300 -0.286 0.000 1.211 170 P CA 0.077 62.971 63.100 -0.343 0.000 0.781 170 P CB 0.218 31.889 31.700 -0.049 0.000 0.877 171 F N 0.857 120.744 119.950 -0.105 0.000 2.608 171 F HA 0.021 4.548 4.527 -0.000 0.000 0.380 171 F C 1.708 177.361 175.800 -0.246 0.000 1.083 171 F CA 0.341 58.236 58.000 -0.176 0.000 1.266 171 F CB -0.033 38.825 39.000 -0.237 0.000 1.076 171 F HN 0.044 nan 8.300 nan 0.000 0.574 172 R N 3.126 123.572 120.500 -0.091 0.000 2.404 172 R HA 0.595 4.935 4.340 -0.000 0.000 0.291 172 R C -1.309 174.809 176.300 -0.303 0.000 1.025 172 R CA -0.673 55.368 56.100 -0.097 0.000 0.991 172 R CB 0.972 31.259 30.300 -0.022 0.000 1.053 172 R HN 0.432 nan 8.270 nan 0.000 0.479 173 F N 1.467 121.512 119.950 0.159 0.000 2.561 173 F HA 0.344 4.871 4.527 -0.000 0.000 0.321 173 F C -1.176 174.705 175.800 0.134 0.000 1.065 173 F CA -2.229 55.870 58.000 0.166 0.000 0.934 173 F CB 1.625 40.714 39.000 0.149 0.000 1.215 173 F HN 0.416 nan 8.300 nan 0.000 0.471 174 P HA -0.098 nan 4.420 nan 0.000 0.242 174 P C 1.033 178.470 177.300 0.229 0.000 1.197 174 P CA 0.840 64.155 63.100 0.358 0.000 0.765 174 P CB 0.121 31.967 31.700 0.243 0.000 0.936 175 E N 1.658 121.931 120.200 0.121 0.000 2.136 175 E HA -0.219 4.131 4.350 -0.000 0.000 0.202 175 E C 1.203 177.808 176.600 0.007 0.000 1.019 175 E CA 1.273 57.696 56.400 0.040 0.000 0.819 175 E CB -0.045 29.655 29.700 0.002 0.000 0.739 175 E HN 0.246 nan 8.360 nan 0.000 0.458 176 R N -0.132 120.334 120.500 -0.056 0.000 2.586 176 R HA 0.224 4.564 4.340 -0.000 0.000 0.336 176 R C 1.569 177.974 176.300 0.174 0.000 1.060 176 R CA 0.063 56.116 56.100 -0.078 0.000 1.079 176 R CB 0.701 30.894 30.300 -0.179 0.000 1.317 176 R HN 0.030 nan 8.270 nan 0.000 0.568 177 S N 1.573 117.509 115.700 0.393 0.000 2.399 177 S HA -0.197 4.273 4.470 -0.000 0.000 0.231 177 S C 2.309 177.050 174.600 0.236 0.000 1.022 177 S CA 1.936 60.467 58.200 0.552 0.000 0.983 177 S CB 0.108 63.551 63.200 0.404 0.000 0.803 177 S HN 0.696 nan 8.310 nan 0.000 0.480 178 E N 1.215 121.468 120.200 0.089 0.000 2.107 178 E HA -0.122 4.228 4.350 -0.000 0.000 0.191 178 E C 1.792 178.362 176.600 -0.049 0.000 0.982 178 E CA 1.298 57.698 56.400 0.000 0.000 0.809 178 E CB -0.853 28.829 29.700 -0.030 0.000 0.756 178 E HN 0.688 nan 8.360 nan 0.000 0.459 179 Q N -1.687 118.011 119.800 -0.170 0.000 2.119 179 Q HA 0.006 4.346 4.340 -0.000 0.000 0.201 179 Q C -0.226 175.522 176.000 -0.419 0.000 0.972 179 Q CA 1.031 56.560 55.803 -0.457 0.000 0.847 179 Q CB 0.023 28.237 28.738 -0.875 0.000 0.903 179 Q HN 0.587 nan 8.270 nan 0.000 0.433 180 F N 1.070 121.203 119.950 0.305 0.000 2.453 180 F HA 0.434 4.961 4.527 -0.000 0.000 0.358 180 F C -2.276 173.825 175.800 0.502 0.000 1.129 180 F CA -2.668 55.622 58.000 0.483 0.000 1.200 180 F CB 1.273 40.486 39.000 0.355 0.000 1.431 180 F HN -0.065 nan 8.300 nan 0.000 0.503 181 P HA -0.002 nan 4.420 nan 0.000 0.264 181 P C -0.688 176.647 177.300 0.059 0.000 1.193 181 P CA 0.338 63.516 63.100 0.130 0.000 0.763 181 P CB 0.148 31.854 31.700 0.009 0.000 0.810 182 H N 2.199 121.117 119.070 -0.254 0.000 2.514 182 H HA 0.304 4.860 4.556 -0.000 0.000 0.226 182 H C -2.220 172.629 175.328 -0.799 0.000 1.421 182 H CA -2.163 53.417 56.048 -0.779 0.000 1.394 182 H CB 0.115 29.258 29.762 -1.031 0.000 1.701 182 H HN 0.206 nan 8.280 nan 0.000 0.515 183 P HA -0.160 nan 4.420 nan 0.000 0.220 183 P C 1.001 178.059 177.300 -0.403 0.000 1.148 183 P CA 0.800 63.644 63.100 -0.425 0.000 0.803 183 P CB 0.630 32.158 31.700 -0.287 0.000 0.782 184 L N -2.260 118.628 121.223 -0.560 0.000 2.599 184 L HA 0.086 4.426 4.340 -0.000 0.000 0.230 184 L C 0.608 177.420 176.870 -0.097 0.000 1.141 184 L CA 0.038 54.643 54.840 -0.391 0.000 0.877 184 L CB -0.607 41.155 42.059 -0.496 0.000 1.009 184 L HN 0.138 nan 8.230 nan 0.000 0.447 185 W N -2.301 118.949 121.300 -0.084 0.000 3.275 185 W HA 0.522 5.182 4.660 -0.000 0.000 0.306 185 W C -3.081 173.466 176.519 0.047 0.000 1.259 185 W CA -2.255 55.050 57.345 -0.068 0.000 1.194 185 W CB -0.295 29.088 29.460 -0.128 0.000 1.375 185 W HN -0.402 nan 8.180 nan 0.000 0.564 186 P HA 0.116 nan 4.420 nan 0.000 0.272 186 P C -0.033 177.418 177.300 0.251 0.000 1.230 186 P CA 0.081 63.314 63.100 0.222 0.000 0.788 186 P CB 0.959 32.749 31.700 0.149 0.000 0.949 187 S N 0.580 116.431 115.700 0.252 0.000 2.546 187 S HA 0.084 4.554 4.470 -0.000 0.000 0.290 187 S C 0.501 175.152 174.600 0.085 0.000 1.290 187 S CA 0.032 58.287 58.200 0.092 0.000 1.069 187 S CB -0.444 62.918 63.200 0.269 0.000 0.846 187 S HN 0.345 nan 8.310 nan 0.000 0.495 188 S N 5.257 120.943 115.700 -0.024 0.000 2.523 188 S HA 0.326 4.796 4.470 -0.000 0.000 0.275 188 S C -1.746 172.969 174.600 0.191 0.000 1.281 188 S CA -0.981 57.251 58.200 0.052 0.000 1.050 188 S CB 0.493 63.673 63.200 -0.033 0.000 0.937 188 S HN 0.554 nan 8.310 nan 0.000 0.492 189 P HA 0.213 nan 4.420 nan 0.000 0.274 189 P C -0.549 176.911 177.300 0.266 0.000 1.246 189 P CA -0.432 62.776 63.100 0.181 0.000 0.795 189 P CB 0.866 32.633 31.700 0.111 0.000 1.006 190 S N -0.518 115.300 115.700 0.197 0.000 2.568 190 S HA 0.255 4.724 4.470 -0.000 0.000 0.302 190 S C 1.201 175.850 174.600 0.083 0.000 1.082 190 S CA -0.865 57.424 58.200 0.149 0.000 1.009 190 S CB 0.838 64.071 63.200 0.054 0.000 1.069 190 S HN 0.143 nan 8.310 nan 0.000 0.500 191 V N 4.524 124.439 119.914 0.002 0.000 2.867 191 V HA -0.100 4.020 4.120 -0.000 0.000 0.260 191 V C 1.858 177.950 176.094 -0.004 0.000 1.099 191 V CA 1.588 63.911 62.300 0.037 0.000 1.122 191 V CB -0.837 31.014 31.823 0.047 0.000 0.708 191 V HN 0.759 nan 8.190 nan 0.000 0.490 192 L N -0.984 120.201 121.223 -0.063 0.000 2.418 192 L HA 0.090 4.430 4.340 -0.000 0.000 0.218 192 L C 0.616 177.477 176.870 -0.015 0.000 1.125 192 L CA 0.170 54.966 54.840 -0.073 0.000 0.835 192 L CB -0.295 41.681 42.059 -0.139 0.000 0.953 192 L HN 0.302 nan 8.230 nan 0.000 0.454 193 D N 0.843 121.250 120.400 0.013 0.000 2.399 193 D HA 0.031 4.671 4.640 -0.000 0.000 0.241 193 D C -0.205 176.112 176.300 0.027 0.000 1.133 193 D CA 0.134 54.150 54.000 0.028 0.000 0.890 193 D CB 0.616 41.445 40.800 0.049 0.000 1.201 193 D HN -0.067 nan 8.370 nan 0.000 0.432 194 D N 0.650 121.064 120.400 0.023 0.000 2.414 194 D HA 0.040 4.680 4.640 -0.000 0.000 0.242 194 D C 0.755 177.068 176.300 0.022 0.000 1.129 194 D CA 0.308 54.322 54.000 0.022 0.000 0.885 194 D CB 0.149 40.960 40.800 0.018 0.000 1.198 194 D HN 0.410 nan 8.370 nan 0.000 0.437 195 N N -0.749 117.966 118.700 0.025 0.000 2.863 195 N HA -0.225 4.515 4.740 -0.000 0.000 0.245 195 N C -0.491 175.031 175.510 0.021 0.000 1.001 195 N CA 0.494 53.558 53.050 0.023 0.000 0.901 195 N CB -0.593 37.902 38.487 0.014 0.000 1.124 195 N HN 0.490 nan 8.380 nan 0.000 0.582 196 A N 0.791 123.629 122.820 0.031 0.000 2.454 196 A HA 0.483 4.802 4.320 -0.000 0.000 0.260 196 A C 0.426 178.041 177.584 0.052 0.000 1.106 196 A CA 0.101 52.161 52.037 0.038 0.000 0.780 196 A CB 0.579 19.616 19.000 0.063 0.000 1.044 196 A HN 0.083 nan 8.150 nan 0.000 0.498 197 V N 3.912 123.857 119.914 0.052 0.000 2.513 197 V HA 0.402 4.522 4.120 -0.000 0.000 0.299 197 V C -0.050 176.113 176.094 0.115 0.000 1.035 197 V CA -0.511 61.831 62.300 0.070 0.000 0.889 197 V CB 1.624 33.527 31.823 0.133 0.000 0.988 197 V HN 0.636 nan 8.190 nan 0.000 0.440 198 V N 4.620 124.522 119.914 -0.020 0.000 2.435 198 V HA 0.571 4.691 4.120 -0.000 0.000 0.290 198 V C -0.639 175.257 176.094 -0.331 0.000 1.030 198 V CA -0.552 61.753 62.300 0.008 0.000 0.881 198 V CB 1.553 33.474 31.823 0.163 0.000 0.983 198 V HN 0.834 nan 8.190 nan 0.000 0.445 199 H N 2.398 121.390 119.070 -0.130 0.000 2.759 199 H HA 0.821 5.377 4.556 -0.000 0.000 0.354 199 H C 0.270 175.336 175.328 -0.437 0.000 1.074 199 H CA 0.271 55.938 56.048 -0.635 0.000 1.226 199 H CB 2.104 31.024 29.762 -1.403 0.000 1.648 199 H HN 0.968 nan 8.280 nan 0.000 0.529 200 G N 1.341 109.998 108.800 -0.238 0.000 2.367 200 G HA2 0.388 4.348 3.960 -0.000 0.000 0.272 200 G HA3 0.388 4.348 3.960 -0.000 0.000 0.272 200 G C -1.406 173.542 174.900 0.080 0.000 1.271 200 G CA -0.251 44.908 45.100 0.098 0.000 0.893 200 G HN 0.608 nan 8.290 nan 0.000 0.485 201 M N -1.138 118.604 119.600 0.236 0.000 2.949 201 M HA 0.757 5.236 4.480 -0.000 0.000 0.270 201 M C -1.283 174.990 176.300 -0.044 0.000 1.221 201 M CA -1.046 54.354 55.300 0.167 0.000 0.818 201 M CB 2.186 34.777 32.600 -0.016 0.000 1.635 201 M HN 1.234 nan 8.290 nan 0.000 0.492 202 H N -1.078 117.772 119.070 -0.366 0.000 2.851 202 H HA 0.933 5.489 4.556 -0.000 0.000 0.372 202 H C -1.581 173.460 175.328 -0.480 0.000 1.158 202 H CA -0.848 54.717 56.048 -0.805 0.000 1.159 202 H CB 1.655 30.185 29.762 -2.053 0.000 1.757 202 H HN 0.959 nan 8.280 nan 0.000 0.546 203 R N 1.041 121.380 120.500 -0.268 0.000 2.692 203 R HA 0.403 4.743 4.340 -0.000 0.000 0.269 203 R C -1.535 174.643 176.300 -0.202 0.000 1.030 203 R CA -0.868 55.127 56.100 -0.174 0.000 0.882 203 R CB 0.972 31.223 30.300 -0.083 0.000 1.250 203 R HN 0.654 nan 8.270 nan 0.000 0.465 204 T N 1.150 115.552 114.554 -0.254 0.000 2.834 204 T HA 0.331 4.681 4.350 -0.000 0.000 0.298 204 T C 0.398 174.596 174.700 -0.837 0.000 0.966 204 T CA 0.422 62.231 62.100 -0.486 0.000 1.141 204 T CB 0.858 69.474 68.868 -0.419 0.000 0.905 204 T HN 0.606 nan 8.240 nan 0.000 0.535 205 G N 1.739 109.930 108.800 -1.016 0.000 2.371 205 G HA2 0.597 4.557 3.960 -0.000 0.000 0.326 205 G HA3 0.597 4.557 3.960 -0.000 0.000 0.326 205 G C -0.893 173.358 174.900 -1.082 0.000 1.127 205 G CA -0.799 43.667 45.100 -1.055 0.000 0.885 205 G HN 0.630 nan 8.290 nan 0.000 0.477 206 F N 1.636 121.508 119.950 -0.130 0.000 2.335 206 F HA 0.642 5.169 4.527 -0.000 0.000 0.365 206 F C 0.924 176.744 175.800 0.033 0.000 1.122 206 F CA 0.136 58.105 58.000 -0.051 0.000 1.151 206 F CB 1.477 40.451 39.000 -0.044 0.000 1.282 206 F HN 0.870 nan 8.300 nan 0.000 0.513 207 G N 2.285 111.178 108.800 0.155 0.000 2.347 207 G HA2 0.003 3.963 3.960 -0.000 0.000 0.321 207 G HA3 0.003 3.963 3.960 -0.000 0.000 0.321 207 G C -1.743 173.277 174.900 0.199 0.000 1.412 207 G CA -1.447 43.742 45.100 0.150 0.000 0.990 207 G HN 0.585 nan 8.290 nan 0.000 0.637 208 N N 0.516 119.286 118.700 0.116 0.000 2.454 208 N HA 0.167 4.907 4.740 -0.000 0.000 0.254 208 N C 1.793 177.269 175.510 -0.056 0.000 1.228 208 N CA 0.489 53.580 53.050 0.068 0.000 0.900 208 N CB 0.320 38.831 38.487 0.039 0.000 1.089 208 N HN 0.727 nan 8.380 nan 0.000 0.449 209 W N 4.247 125.473 121.300 -0.123 0.000 2.374 209 W HA -0.127 4.532 4.660 -0.000 0.000 0.288 209 W C 0.977 177.373 176.519 -0.206 0.000 1.218 209 W CA 0.478 57.673 57.345 -0.250 0.000 1.245 209 W CB -0.573 28.855 29.460 -0.053 0.000 1.126 209 W HN 0.547 nan 8.180 nan 0.000 0.545 210 R N 0.401 120.135 120.500 -1.276 0.000 2.080 210 R HA -0.175 4.165 4.340 -0.000 0.000 0.236 210 R C 2.355 178.382 176.300 -0.455 0.000 1.137 210 R CA 2.115 57.550 56.100 -1.108 0.000 0.943 210 R CB -0.557 29.098 30.300 -1.076 0.000 0.846 210 R HN 0.084 nan 8.270 nan 0.000 0.431 211 I N 0.808 121.140 120.570 -0.397 0.000 2.286 211 I HA -0.204 3.966 4.170 -0.000 0.000 0.248 211 I C 2.423 178.286 176.117 -0.424 0.000 1.115 211 I CA 1.303 62.351 61.300 -0.419 0.000 1.392 211 I CB -1.358 36.396 38.000 -0.409 0.000 1.065 211 I HN 0.189 nan 8.210 nan 0.000 0.418 212 A N -0.285 122.264 122.820 -0.452 0.000 1.930 212 A HA -0.239 4.081 4.320 -0.000 0.000 0.217 212 A C 2.632 179.725 177.584 -0.818 0.000 1.175 212 A CA 1.568 53.305 52.037 -0.500 0.000 0.627 212 A CB -1.198 17.455 19.000 -0.579 0.000 0.815 212 A HN 0.545 nan 8.150 nan 0.000 0.443 213 C N 0.173 118.920 119.300 -0.922 0.000 2.446 213 C HA -0.059 4.401 4.460 -0.000 0.000 0.277 213 C C 2.424 176.949 174.990 -0.775 0.000 1.275 213 C CA 1.418 59.706 59.018 -1.218 0.000 1.727 213 C CB -1.298 26.191 27.740 -0.419 0.000 2.010 213 C HN 0.683 nan 8.230 nan 0.000 0.486 214 E N 0.481 120.326 120.200 -0.592 0.000 2.338 214 E HA -0.177 4.172 4.350 -0.000 0.000 0.197 214 E C 1.978 177.962 176.600 -1.027 0.000 1.007 214 E CA 0.826 56.753 56.400 -0.787 0.000 0.849 214 E CB -0.390 29.073 29.700 -0.396 0.000 0.774 214 E HN 0.733 nan 8.360 nan 0.000 0.506 215 N N 1.249 119.487 118.700 -0.771 0.000 2.106 215 N HA -0.133 4.607 4.740 -0.000 0.000 0.188 215 N C 2.083 177.115 175.510 -0.797 0.000 1.029 215 N CA 1.458 54.058 53.050 -0.750 0.000 0.848 215 N CB -0.247 37.885 38.487 -0.591 0.000 1.007 215 N HN 0.149 nan 8.380 nan 0.000 0.423 216 G N 0.763 109.240 108.800 -0.538 0.000 2.505 216 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.220 216 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.220 216 G C 1.092 175.913 174.900 -0.132 0.000 1.145 216 G CA 1.263 46.232 45.100 -0.219 0.000 0.761 216 G HN 0.571 nan 8.290 nan 0.000 0.571 217 F N -0.267 119.571 119.950 -0.187 0.000 2.684 217 F HA 0.460 4.987 4.527 -0.000 0.000 0.298 217 F C -0.026 175.707 175.800 -0.112 0.000 1.120 217 F CA -1.589 56.322 58.000 -0.148 0.000 1.332 217 F CB -0.024 38.865 39.000 -0.186 0.000 0.986 217 F HN -0.108 nan 8.300 nan 0.000 0.524 218 D N 1.841 122.073 120.400 -0.279 0.000 2.295 218 D HA 0.057 4.697 4.640 -0.000 0.000 0.248 218 D C 0.231 176.594 176.300 0.105 0.000 1.154 218 D CA -0.060 53.872 54.000 -0.114 0.000 0.857 218 D CB 0.744 41.422 40.800 -0.204 0.000 1.117 218 D HN 0.224 nan 8.370 nan 0.000 0.468 219 N N 2.449 121.150 118.700 0.002 0.000 2.398 219 N HA -0.000 4.740 4.740 -0.000 0.000 0.188 219 N C 0.689 176.216 175.510 0.027 0.000 1.122 219 N CA 0.044 53.067 53.050 -0.045 0.000 0.866 219 N CB 0.816 39.152 38.487 -0.252 0.000 0.970 219 N HN 0.415 nan 8.380 nan 0.000 0.462 220 A N 0.333 123.197 122.820 0.073 0.000 2.343 220 A HA -0.010 4.310 4.320 -0.000 0.000 0.223 220 A C 1.395 179.002 177.584 0.038 0.000 1.214 220 A CA -0.126 51.947 52.037 0.060 0.000 0.900 220 A CB -0.430 18.617 19.000 0.079 0.000 0.942 220 A HN 0.383 nan 8.150 nan 0.000 0.507 221 H N -0.249 118.790 119.070 -0.052 0.000 2.539 221 H HA 0.219 4.775 4.556 -0.000 0.000 0.267 221 H C 1.294 176.580 175.328 -0.070 0.000 0.982 221 H CA 0.204 56.201 56.048 -0.085 0.000 1.146 221 H CB -0.451 29.230 29.762 -0.134 0.000 1.382 221 H HN 0.442 nan 8.280 nan 0.000 0.577 222 I N 0.830 121.155 120.570 -0.408 0.000 2.381 222 I HA -0.306 3.864 4.170 -0.000 0.000 0.255 222 I C 2.440 178.479 176.117 -0.130 0.000 1.140 222 I CA 0.906 62.042 61.300 -0.273 0.000 1.404 222 I CB -0.308 37.627 38.000 -0.108 0.000 1.075 222 I HN 0.231 nan 8.210 nan 0.000 0.433 223 L N 0.181 121.343 121.223 -0.101 0.000 2.127 223 L HA -0.220 4.120 4.340 -0.000 0.000 0.211 223 L C 2.425 179.237 176.870 -0.096 0.000 1.089 223 L CA 1.054 55.860 54.840 -0.056 0.000 0.757 223 L CB -0.216 41.821 42.059 -0.035 0.000 0.899 223 L HN 0.056 nan 8.230 nan 0.000 0.434 224 V N -1.043 118.749 119.914 -0.204 0.000 2.720 224 V HA -0.279 3.841 4.120 -0.000 0.000 0.256 224 V C 1.836 177.677 176.094 -0.423 0.000 1.082 224 V CA 1.421 63.532 62.300 -0.315 0.000 1.101 224 V CB -0.862 30.723 31.823 -0.397 0.000 0.693 224 V HN 0.528 nan 8.190 nan 0.000 0.479 225 H N -0.025 118.963 119.070 -0.135 0.000 2.586 225 H HA 0.089 4.645 4.556 -0.000 0.000 0.273 225 H C 2.072 177.426 175.328 0.043 0.000 0.997 225 H CA 0.536 56.506 56.048 -0.129 0.000 1.177 225 H CB 0.192 29.787 29.762 -0.278 0.000 1.471 225 H HN 0.596 nan 8.280 nan 0.000 0.538 226 K N 0.764 121.242 120.400 0.130 0.000 2.173 226 K HA -0.169 4.151 4.320 -0.000 0.000 0.207 226 K C 0.454 177.220 176.600 0.277 0.000 1.046 226 K CA 2.078 58.464 56.287 0.165 0.000 0.929 226 K CB 0.068 32.635 32.500 0.111 0.000 0.720 226 K HN 0.006 nan 8.250 nan 0.000 0.453 227 D N -0.075 120.470 120.400 0.242 0.000 2.369 227 D HA 0.066 4.706 4.640 -0.000 0.000 0.211 227 D C -0.466 176.011 176.300 0.295 0.000 1.077 227 D CA -0.161 54.009 54.000 0.284 0.000 0.842 227 D CB -0.072 40.794 40.800 0.110 0.000 0.947 227 D HN 0.160 nan 8.370 nan 0.000 0.509 228 N N 0.691 119.572 118.700 0.301 0.000 2.407 228 N HA -0.022 4.718 4.740 -0.000 0.000 0.250 228 N C 1.366 177.071 175.510 0.325 0.000 1.236 228 N CA 0.393 53.620 53.050 0.295 0.000 0.879 228 N CB 0.874 39.588 38.487 0.378 0.000 1.088 228 N HN -0.041 nan 8.380 nan 0.000 0.450 229 T N 1.209 115.901 114.554 0.230 0.000 2.720 229 T HA -0.157 4.193 4.350 -0.000 0.000 0.268 229 T C 1.873 176.638 174.700 0.109 0.000 1.037 229 T CA 0.678 62.881 62.100 0.171 0.000 1.144 229 T CB -0.129 68.796 68.868 0.094 0.000 0.864 229 T HN 0.576 nan 8.240 nan 0.000 0.444 230 I N 1.162 121.781 120.570 0.082 0.000 2.361 230 I HA -0.172 3.998 4.170 -0.000 0.000 0.251 230 I C 2.197 178.137 176.117 -0.295 0.000 1.133 230 I CA 1.020 62.260 61.300 -0.099 0.000 1.413 230 I CB -0.107 37.860 38.000 -0.055 0.000 1.073 230 I HN 0.055 nan 8.210 nan 0.000 0.424 231 V N 0.829 120.715 119.914 -0.045 0.000 2.295 231 V HA -0.326 3.794 4.120 -0.000 0.000 0.246 231 V C 2.113 178.000 176.094 -0.344 0.000 1.049 231 V CA 2.391 64.639 62.300 -0.086 0.000 1.024 231 V CB -1.090 30.767 31.823 0.057 0.000 0.648 231 V HN 0.541 nan 8.190 nan 0.000 0.447 232 H N -0.428 118.618 119.070 -0.040 0.000 2.544 232 H HA 0.311 4.867 4.556 -0.000 0.000 0.269 232 H C 2.057 177.312 175.328 -0.121 0.000 0.970 232 H CA 0.877 56.896 56.048 -0.049 0.000 1.219 232 H CB -0.165 29.597 29.762 -0.000 0.000 1.421 232 H HN 0.427 nan 8.280 nan 0.000 0.555 233 A N 0.686 123.448 122.820 -0.097 0.000 1.970 233 A HA -0.025 4.295 4.320 -0.000 0.000 0.216 233 A C 1.652 179.079 177.584 -0.262 0.000 1.170 233 A CA 0.889 52.842 52.037 -0.140 0.000 0.645 233 A CB 0.004 18.922 19.000 -0.137 0.000 0.816 233 A HN 0.189 nan 8.150 nan 0.000 0.447 234 M N -0.915 118.376 119.600 -0.515 0.000 2.494 234 M HA 0.112 4.591 4.480 -0.000 0.000 0.232 234 M C 0.143 176.128 176.300 -0.526 0.000 1.137 234 M CA 0.399 55.260 55.300 -0.731 0.000 1.012 234 M CB -1.151 30.448 32.600 -1.668 0.000 1.567 234 M HN 0.470 nan 8.290 nan 0.000 0.486 235 D N -0.157 120.079 120.400 -0.274 0.000 2.911 235 D HA -0.174 4.465 4.640 -0.000 0.000 0.227 235 D C -0.959 175.384 176.300 0.072 0.000 1.164 235 D CA 0.704 54.665 54.000 -0.064 0.000 0.782 235 D CB -0.274 40.520 40.800 -0.011 0.000 1.094 235 D HN 0.321 nan 8.370 nan 0.000 0.425 236 W N -0.264 121.010 121.300 -0.044 0.000 2.218 236 W HA 0.512 5.172 4.660 -0.000 0.000 0.326 236 W C 0.572 177.060 176.519 -0.051 0.000 1.276 236 W CA -0.717 56.606 57.345 -0.037 0.000 1.210 236 W CB 0.555 29.997 29.460 -0.032 0.000 1.143 236 W HN -0.198 nan 8.180 nan 0.000 0.563 237 V N 6.271 126.318 119.914 0.222 0.000 2.313 237 V HA 0.190 4.310 4.120 -0.000 0.000 0.262 237 V C 0.341 176.501 176.094 0.110 0.000 1.011 237 V CA -0.699 61.679 62.300 0.131 0.000 0.858 237 V CB -0.340 31.549 31.823 0.110 0.000 1.104 237 V HN 0.356 nan 8.190 nan 0.000 0.456 238 L N 6.407 127.699 121.223 0.115 0.000 2.503 238 L HA 0.192 4.532 4.340 -0.000 0.000 0.287 238 L C -1.643 175.267 176.870 0.065 0.000 1.252 238 L CA -0.678 54.215 54.840 0.089 0.000 0.835 238 L CB 0.173 42.298 42.059 0.110 0.000 1.099 238 L HN 0.392 nan 8.230 nan 0.000 0.516 239 P HA 0.203 nan 4.420 nan 0.000 0.290 239 P C 0.630 177.951 177.300 0.035 0.000 1.275 239 P CA -0.674 62.447 63.100 0.035 0.000 0.841 239 P CB 1.379 33.089 31.700 0.017 0.000 1.042 240 L N 0.711 121.954 121.223 0.033 0.000 2.043 240 L HA -0.021 4.319 4.340 -0.000 0.000 0.212 240 L C 1.495 178.379 176.870 0.023 0.000 1.075 240 L CA 2.177 57.035 54.840 0.030 0.000 0.752 240 L CB -0.902 41.175 42.059 0.030 0.000 0.891 240 L HN 0.673 nan 8.230 nan 0.000 0.432 241 G N -1.598 107.219 108.800 0.028 0.000 2.428 241 G HA2 0.493 4.453 3.960 -0.000 0.000 0.304 241 G HA3 0.493 4.453 3.960 -0.000 0.000 0.304 241 G C -1.890 173.042 174.900 0.053 0.000 1.303 241 G CA -0.812 44.307 45.100 0.032 0.000 0.825 241 G HN -0.082 nan 8.290 nan 0.000 0.484 242 L N -0.057 121.223 121.223 0.095 0.000 2.365 242 L HA 0.711 5.050 4.340 -0.000 0.000 0.273 242 L C -0.768 176.305 176.870 0.338 0.000 1.000 242 L CA -0.788 54.161 54.840 0.182 0.000 0.819 242 L CB 2.018 44.166 42.059 0.147 0.000 1.284 242 L HN 0.329 nan 8.230 nan 0.000 0.418 243 L N 3.893 125.289 121.223 0.287 0.000 2.346 243 L HA 0.614 4.954 4.340 -0.000 0.000 0.274 243 L C -2.334 174.497 176.870 -0.064 0.000 1.007 243 L CA -1.731 53.209 54.840 0.167 0.000 0.818 243 L CB 2.145 44.239 42.059 0.058 0.000 1.284 243 L HN 0.341 nan 8.230 nan 0.000 0.424 244 P HA 0.119 nan 4.420 nan 0.000 0.279 244 P C -0.020 177.043 177.300 -0.395 0.000 1.239 244 P CA -0.320 62.249 63.100 -0.885 0.000 0.789 244 P CB 1.474 32.640 31.700 -0.890 0.000 0.933 245 T N -1.562 112.785 114.554 -0.345 0.000 2.990 245 T HA 0.143 4.493 4.350 -0.000 0.000 0.249 245 T C 0.832 175.445 174.700 -0.144 0.000 1.039 245 T CA 0.170 62.164 62.100 -0.177 0.000 1.036 245 T CB -0.218 68.580 68.868 -0.117 0.000 0.994 245 T HN 0.546 nan 8.240 nan 0.000 0.489 246 S N -0.142 115.454 115.700 -0.174 0.000 2.667 246 S HA 0.552 5.022 4.470 -0.000 0.000 0.292 246 S C -0.058 174.485 174.600 -0.095 0.000 1.126 246 S CA -0.626 57.511 58.200 -0.105 0.000 0.881 246 S CB 1.837 64.991 63.200 -0.077 0.000 1.132 246 S HN -0.108 nan 8.310 nan 0.000 0.492 247 D N 0.735 121.111 120.400 -0.041 0.000 2.224 247 D HA -0.005 4.635 4.640 -0.000 0.000 0.205 247 D C 0.504 176.825 176.300 0.034 0.000 0.965 247 D CA 1.252 55.248 54.000 -0.007 0.000 0.852 247 D CB -0.127 40.678 40.800 0.010 0.000 0.947 247 D HN 0.745 nan 8.370 nan 0.000 0.494 248 D N -0.357 120.073 120.400 0.049 0.000 2.587 248 D HA -0.035 4.605 4.640 -0.000 0.000 0.233 248 D C 1.618 178.063 176.300 0.241 0.000 1.213 248 D CA -0.200 53.881 54.000 0.135 0.000 0.827 248 D CB -1.345 39.523 40.800 0.114 0.000 1.006 248 D HN 0.236 nan 8.370 nan 0.000 0.490 249 C N -0.743 118.642 119.300 0.142 0.000 2.449 249 C HA 0.288 4.748 4.460 -0.000 0.000 0.283 249 C C 0.772 176.091 174.990 0.549 0.000 1.453 249 C CA -0.578 58.555 59.018 0.193 0.000 1.779 249 C CB -1.464 26.012 27.740 -0.441 0.000 1.779 249 C HN 0.341 nan 8.230 nan 0.000 0.546 250 I N 0.932 121.741 120.570 0.399 0.000 2.533 250 I HA 0.554 4.724 4.170 -0.000 0.000 0.290 250 I C -0.070 176.179 176.117 0.219 0.000 1.056 250 I CA -0.474 60.985 61.300 0.265 0.000 1.057 250 I CB 1.767 39.919 38.000 0.252 0.000 1.240 250 I HN 0.124 nan 8.210 nan 0.000 0.423 251 A N 6.393 129.257 122.820 0.073 0.000 2.260 251 A HA 0.704 5.024 4.320 -0.000 0.000 0.314 251 A C -0.549 177.090 177.584 0.093 0.000 1.257 251 A CA -0.457 51.685 52.037 0.176 0.000 0.871 251 A CB 0.844 20.006 19.000 0.269 0.000 1.166 251 A HN 0.443 nan 8.150 nan 0.000 0.522 252 V N 3.752 123.744 119.914 0.130 0.000 2.407 252 V HA 0.348 4.468 4.120 -0.000 0.000 0.278 252 V C -0.108 176.047 176.094 0.101 0.000 1.037 252 V CA -0.298 62.072 62.300 0.117 0.000 0.900 252 V CB 1.298 33.199 31.823 0.131 0.000 0.983 252 V HN 0.607 nan 8.190 nan 0.000 0.459 253 V N 5.467 125.443 119.914 0.105 0.000 2.448 253 V HA 0.500 4.620 4.120 -0.000 0.000 0.295 253 V C 0.313 176.378 176.094 -0.050 0.000 1.025 253 V CA -0.413 61.931 62.300 0.073 0.000 0.859 253 V CB 1.575 33.493 31.823 0.158 0.000 0.988 253 V HN 1.066 nan 8.190 nan 0.000 0.431 254 E N 1.176 121.262 120.200 -0.191 0.000 3.586 254 E HA 0.239 4.589 4.350 -0.000 0.000 0.175 254 E C -1.017 175.247 176.600 -0.560 0.000 0.980 254 E CA -0.634 55.419 56.400 -0.579 0.000 1.391 254 E CB 0.325 29.617 29.700 -0.681 0.000 1.101 254 E HN 0.682 nan 8.360 nan 0.000 0.440 255 D N 2.366 122.588 120.400 -0.296 0.000 2.357 255 D HA -0.038 4.602 4.640 -0.000 0.000 0.242 255 D C 1.171 177.315 176.300 -0.260 0.000 1.153 255 D CA -0.040 53.836 54.000 -0.208 0.000 0.918 255 D CB 0.956 41.686 40.800 -0.117 0.000 1.181 255 D HN 0.146 nan 8.370 nan 0.000 0.435 256 D N 0.697 121.004 120.400 -0.155 0.000 2.108 256 D HA -0.257 4.383 4.640 -0.000 0.000 0.190 256 D C 0.433 176.611 176.300 -0.203 0.000 0.995 256 D CA 0.954 54.885 54.000 -0.116 0.000 0.834 256 D CB -0.353 40.440 40.800 -0.011 0.000 0.967 256 D HN 0.402 nan 8.370 nan 0.000 0.446 257 D N 1.032 121.345 120.400 -0.146 0.000 2.402 257 D HA 0.382 5.021 4.640 -0.000 0.000 0.235 257 D C 0.278 176.420 176.300 -0.264 0.000 1.226 257 D CA 0.453 54.356 54.000 -0.161 0.000 0.918 257 D CB 0.221 41.026 40.800 0.008 0.000 1.043 257 D HN 0.465 nan 8.370 nan 0.000 0.506 258 G N 3.485 111.895 108.800 -0.649 0.000 2.369 258 G HA2 0.007 3.967 3.960 -0.000 0.000 0.307 258 G HA3 0.007 3.967 3.960 -0.000 0.000 0.307 258 G C -3.185 171.496 174.900 -0.366 0.000 1.327 258 G CA -1.075 43.820 45.100 -0.341 0.000 0.963 258 G HN 0.241 nan 8.290 nan 0.000 0.590 259 P HA 0.332 nan 4.420 nan 0.000 0.272 259 P C -0.758 176.437 177.300 -0.175 0.000 1.223 259 P CA -0.105 62.858 63.100 -0.228 0.000 0.784 259 P CB 0.551 31.963 31.700 -0.480 0.000 0.923 260 K N 2.279 122.576 120.400 -0.171 0.000 2.316 260 K HA 0.705 5.024 4.320 -0.000 0.000 0.267 260 K C 0.374 176.954 176.600 -0.032 0.000 1.025 260 K CA -0.251 55.935 56.287 -0.169 0.000 0.896 260 K CB 1.384 33.766 32.500 -0.196 0.000 1.124 260 K HN 0.777 nan 8.250 nan 0.000 0.451 261 G N 1.569 110.419 108.800 0.083 0.000 2.450 261 G HA2 0.489 4.449 3.960 -0.000 0.000 0.273 261 G HA3 0.489 4.449 3.960 -0.000 0.000 0.273 261 G C -1.430 173.619 174.900 0.248 0.000 1.221 261 G CA -0.736 44.464 45.100 0.166 0.000 0.900 261 G HN 0.448 nan 8.290 nan 0.000 0.483 262 M N -1.597 118.120 119.600 0.194 0.000 2.531 262 M HA 0.892 5.372 4.480 -0.000 0.000 0.286 262 M C -1.421 174.847 176.300 -0.052 0.000 1.232 262 M CA -1.062 54.283 55.300 0.075 0.000 0.877 262 M CB 2.528 35.152 32.600 0.039 0.000 1.726 262 M HN 0.635 nan 8.290 nan 0.000 0.463 263 M N 2.532 121.971 119.600 -0.269 0.000 2.321 263 M HA 0.448 4.928 4.480 -0.000 0.000 0.315 263 M C -1.627 174.379 176.300 -0.488 0.000 1.052 263 M CA 0.003 54.990 55.300 -0.521 0.000 0.936 263 M CB 2.323 34.268 32.600 -1.092 0.000 1.639 263 M HN 0.762 nan 8.290 nan 0.000 0.433 264 Q N 3.919 123.520 119.800 -0.332 0.000 2.303 264 Q HA 0.226 4.566 4.340 -0.000 0.000 0.257 264 Q C -1.116 174.822 176.000 -0.104 0.000 0.941 264 Q CA -0.035 55.678 55.803 -0.150 0.000 0.931 264 Q CB 0.838 29.467 28.738 -0.182 0.000 1.215 264 Q HN 0.821 nan 8.270 nan 0.000 0.437 265 W N 4.216 125.725 121.300 0.349 0.000 1.317 265 W HA 0.126 4.786 4.660 -0.000 0.000 0.492 265 W C -0.139 176.605 176.519 0.375 0.000 0.581 265 W CA -0.467 57.086 57.345 0.345 0.000 2.503 265 W CB -0.293 29.361 29.460 0.324 0.000 1.157 265 W HN 0.365 nan 8.180 nan 0.000 0.299 266 L N 1.290 122.706 121.223 0.322 0.000 2.467 266 L HA 0.070 4.410 4.340 -0.000 0.000 0.270 266 L C 0.668 177.804 176.870 0.444 0.000 1.205 266 L CA -0.451 54.491 54.840 0.170 0.000 0.828 266 L CB -0.090 41.950 42.059 -0.030 0.000 1.101 266 L HN 0.240 nan 8.230 nan 0.000 0.479 267 F N -0.344 119.708 119.950 0.170 0.000 3.071 267 F HA -0.240 4.286 4.527 -0.000 0.000 0.295 267 F C 0.586 176.495 175.800 0.182 0.000 0.919 267 F CA 0.930 59.043 58.000 0.188 0.000 1.050 267 F CB -1.988 37.168 39.000 0.260 0.000 1.040 267 F HN 0.773 nan 8.300 nan 0.000 0.692 268 T N -5.940 108.773 114.554 0.266 0.000 2.681 268 T HA 0.466 4.816 4.350 -0.000 0.000 0.296 268 T C 0.506 175.287 174.700 0.135 0.000 1.157 268 T CA -0.182 62.031 62.100 0.188 0.000 1.025 268 T CB 1.617 70.607 68.868 0.203 0.000 1.441 268 T HN -0.189 nan 8.240 nan 0.000 0.504 269 D N 0.144 120.584 120.400 0.067 0.000 2.149 269 D HA -0.021 4.619 4.640 -0.000 0.000 0.198 269 D C 1.822 178.133 176.300 0.019 0.000 0.990 269 D CA 1.284 55.300 54.000 0.027 0.000 0.839 269 D CB -0.047 40.744 40.800 -0.015 0.000 0.948 269 D HN 0.563 nan 8.370 nan 0.000 0.460 270 K N -1.184 119.237 120.400 0.035 0.000 2.360 270 K HA -0.098 4.222 4.320 -0.000 0.000 0.201 270 K C -0.212 176.243 176.600 -0.242 0.000 1.046 270 K CA 0.584 56.835 56.287 -0.061 0.000 0.940 270 K CB 0.067 32.597 32.500 0.049 0.000 0.748 270 K HN 0.263 nan 8.250 nan 0.000 0.465 271 W N 0.435 121.765 121.300 0.050 0.000 2.543 271 W HA 0.407 5.066 4.660 -0.000 0.000 0.318 271 W C -1.047 175.445 176.519 -0.046 0.000 1.002 271 W CA -0.755 56.595 57.345 0.008 0.000 1.302 271 W CB 1.363 30.822 29.460 -0.002 0.000 1.299 271 W HN -0.159 nan 8.180 nan 0.000 0.424 272 A N 5.910 128.812 122.820 0.136 0.000 2.292 272 A HA 0.761 5.081 4.320 -0.000 0.000 0.319 272 A C -2.360 175.262 177.584 0.063 0.000 1.206 272 A CA -1.665 50.411 52.037 0.066 0.000 0.835 272 A CB 0.527 19.544 19.000 0.028 0.000 1.164 272 A HN 0.304 nan 8.150 nan 0.000 0.505 273 P HA 0.244 nan 4.420 nan 0.000 0.276 273 P C -0.531 176.783 177.300 0.023 0.000 1.230 273 P CA -0.009 63.093 63.100 0.003 0.000 0.776 273 P CB 1.141 32.819 31.700 -0.037 0.000 0.888 274 V N 4.725 124.658 119.914 0.032 0.000 2.465 274 V HA 0.065 4.185 4.120 -0.000 0.000 0.279 274 V C 1.417 177.529 176.094 0.029 0.000 1.045 274 V CA 0.026 62.345 62.300 0.032 0.000 0.938 274 V CB 0.923 32.768 31.823 0.038 0.000 0.986 274 V HN 0.434 nan 8.190 nan 0.000 0.467 275 L N 3.451 124.691 121.223 0.027 0.000 2.609 275 L HA 0.337 4.677 4.340 -0.000 0.000 0.230 275 L C 0.871 177.758 176.870 0.028 0.000 1.064 275 L CA 0.712 55.569 54.840 0.029 0.000 0.873 275 L CB 0.014 42.090 42.059 0.029 0.000 1.139 275 L HN 0.870 nan 8.230 nan 0.000 0.490 276 E N -1.250 118.965 120.200 0.025 0.000 2.429 276 E HA 0.498 4.848 4.350 -0.000 0.000 0.276 276 E C -1.160 175.453 176.600 0.021 0.000 0.953 276 E CA -0.894 55.520 56.400 0.023 0.000 0.787 276 E CB 1.871 31.584 29.700 0.021 0.000 1.307 276 E HN -0.051 nan 8.360 nan 0.000 0.458 277 N N 0.315 119.026 118.700 0.019 0.000 2.558 277 N HA 0.086 4.826 4.740 -0.000 0.000 0.285 277 N C -0.086 175.433 175.510 0.014 0.000 1.112 277 N CA -0.150 52.910 53.050 0.016 0.000 0.857 277 N CB 1.581 40.078 38.487 0.016 0.000 1.376 277 N HN 0.520 nan 8.380 nan 0.000 0.526 278 Q N 0.775 120.583 119.800 0.013 0.000 2.172 278 Q HA -0.148 4.192 4.340 -0.000 0.000 0.200 278 Q C 0.821 176.827 176.000 0.010 0.000 0.964 278 Q CA 0.990 56.800 55.803 0.011 0.000 0.855 278 Q CB 0.155 28.900 28.738 0.010 0.000 0.918 278 Q HN 0.656 nan 8.270 nan 0.000 0.444 279 E N 1.242 121.447 120.200 0.009 0.000 2.023 279 E HA -0.183 4.167 4.350 -0.000 0.000 0.196 279 E C 1.536 178.140 176.600 0.007 0.000 1.003 279 E CA 1.233 57.638 56.400 0.007 0.000 0.809 279 E CB -0.102 29.601 29.700 0.006 0.000 0.755 279 E HN 0.165 nan 8.360 nan 0.000 0.449 280 L N -0.598 120.630 121.223 0.008 0.000 2.395 280 L HA 0.244 4.584 4.340 -0.000 0.000 0.218 280 L C 1.604 178.480 176.870 0.010 0.000 1.130 280 L CA 1.175 56.019 54.840 0.008 0.000 0.826 280 L CB -0.349 41.715 42.059 0.009 0.000 0.941 280 L HN 0.437 nan 8.230 nan 0.000 0.451 281 G N -0.416 108.391 108.800 0.011 0.000 2.160 281 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.244 281 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.244 281 G C 0.198 175.107 174.900 0.016 0.000 1.022 281 G CA 0.064 45.172 45.100 0.013 0.000 0.741 281 G HN 0.243 nan 8.290 nan 0.000 0.508 282 L N 0.124 121.357 121.223 0.017 0.000 2.379 282 L HA 0.811 5.151 4.340 -0.000 0.000 0.269 282 L C 0.418 177.302 176.870 0.023 0.000 1.084 282 L CA -0.710 54.142 54.840 0.021 0.000 0.802 282 L CB 1.570 43.642 42.059 0.022 0.000 1.175 282 L HN 0.327 nan 8.230 nan 0.000 0.448 283 K N 1.840 122.256 120.400 0.027 0.000 2.584 283 K HA 0.307 4.627 4.320 -0.000 0.000 0.260 283 K C -2.108 174.512 176.600 0.034 0.000 0.949 283 K CA -0.514 55.790 56.287 0.028 0.000 0.888 283 K CB 0.786 33.300 32.500 0.025 0.000 1.330 283 K HN 0.289 nan 8.250 nan 0.000 0.432 284 V N 3.276 123.212 119.914 0.036 0.000 2.539 284 V HA 0.370 4.490 4.120 -0.000 0.000 0.292 284 V C 1.017 177.135 176.094 0.040 0.000 1.045 284 V CA -0.049 62.276 62.300 0.042 0.000 0.945 284 V CB 1.335 33.185 31.823 0.046 0.000 0.993 284 V HN 0.942 nan 8.190 nan 0.000 0.464 285 E N 2.348 122.574 120.200 0.044 0.000 2.759 285 E HA 0.341 4.691 4.350 -0.000 0.000 0.220 285 E C 0.373 177.001 176.600 0.047 0.000 0.974 285 E CA -0.184 56.241 56.400 0.041 0.000 1.148 285 E CB 1.002 30.724 29.700 0.037 0.000 1.059 285 E HN 0.687 nan 8.360 nan 0.000 0.493 286 G N 1.802 110.634 108.800 0.054 0.000 2.557 286 G HA2 0.456 4.416 3.960 -0.000 0.000 0.310 286 G HA3 0.456 4.416 3.960 -0.000 0.000 0.310 286 G C 0.092 175.030 174.900 0.064 0.000 1.328 286 G CA -1.002 44.135 45.100 0.061 0.000 0.945 286 G HN 0.265 nan 8.290 nan 0.000 0.494 287 L N 0.070 121.330 121.223 0.062 0.000 2.978 287 L HA 0.500 4.840 4.340 -0.000 0.000 0.239 287 L C 0.419 177.323 176.870 0.058 0.000 1.293 287 L CA -0.749 54.126 54.840 0.058 0.000 1.085 287 L CB -0.142 41.951 42.059 0.056 0.000 1.432 287 L HN 0.114 nan 8.230 nan 0.000 0.512 288 K N 1.732 122.179 120.400 0.079 0.000 2.339 288 K HA 0.633 4.953 4.320 -0.000 0.000 0.286 288 K C 0.307 176.925 176.600 0.030 0.000 1.050 288 K CA 0.255 56.602 56.287 0.100 0.000 0.956 288 K CB 1.576 34.187 32.500 0.184 0.000 0.990 288 K HN 0.556 nan 8.250 nan 0.000 0.475 289 G N 1.838 110.568 108.800 -0.118 0.000 2.561 289 G HA2 0.302 4.262 3.960 -0.000 0.000 0.310 289 G HA3 0.302 4.262 3.960 -0.000 0.000 0.310 289 G C -1.424 173.124 174.900 -0.588 0.000 1.292 289 G CA -0.615 44.199 45.100 -0.477 0.000 0.811 289 G HN 0.297 nan 8.290 nan 0.000 0.482 290 R N -0.068 120.060 120.500 -0.620 0.000 2.732 290 R HA 0.509 4.849 4.340 -0.000 0.000 0.278 290 R C -1.122 174.981 176.300 -0.329 0.000 0.976 290 R CA -0.678 55.163 56.100 -0.431 0.000 0.963 290 R CB 1.183 31.240 30.300 -0.405 0.000 1.150 290 R HN 0.616 nan 8.270 nan 0.000 0.478 291 H N 3.230 122.093 119.070 -0.345 0.000 2.488 291 H HA 0.336 4.892 4.556 -0.000 0.000 0.322 291 H C -0.547 174.286 175.328 -0.825 0.000 1.078 291 H CA -0.134 55.339 56.048 -0.958 0.000 1.260 291 H CB 1.036 30.484 29.762 -0.523 0.000 1.425 291 H HN 0.562 nan 8.280 nan 0.000 0.471 292 Y N 0.184 119.906 120.300 -0.964 0.000 2.713 292 Y HA 0.604 5.154 4.550 -0.000 0.000 0.335 292 Y C -1.324 174.246 175.900 -0.550 0.000 1.222 292 Y CA -1.344 56.284 58.100 -0.786 0.000 1.061 292 Y CB 1.717 40.012 38.460 -0.275 0.000 1.314 292 Y HN 0.492 nan 8.280 nan 0.000 0.453 293 R N 1.061 121.359 120.500 -0.337 0.000 2.535 293 R HA 0.597 4.937 4.340 -0.000 0.000 0.274 293 R C -1.709 174.563 176.300 -0.048 0.000 1.090 293 R CA -0.399 55.635 56.100 -0.110 0.000 0.930 293 R CB 2.004 32.345 30.300 0.068 0.000 1.223 293 R HN 1.064 nan 8.270 nan 0.000 0.441 294 T N 0.219 114.753 114.554 -0.034 0.000 2.895 294 T HA 0.717 5.067 4.350 -0.000 0.000 0.283 294 T C -0.279 174.359 174.700 -0.102 0.000 1.014 294 T CA -0.625 61.441 62.100 -0.057 0.000 1.037 294 T CB 1.645 70.505 68.868 -0.013 0.000 1.006 294 T HN 0.585 nan 8.240 nan 0.000 0.468 295 S N 0.474 116.107 115.700 -0.111 0.000 2.579 295 S HA 0.780 5.250 4.470 -0.000 0.000 0.272 295 S C -1.287 173.180 174.600 -0.222 0.000 1.141 295 S CA -0.883 57.229 58.200 -0.146 0.000 0.843 295 S CB 1.776 64.952 63.200 -0.040 0.000 1.122 295 S HN 1.278 nan 8.310 nan 0.000 0.468 296 V N 1.525 121.246 119.914 -0.322 0.000 2.808 296 V HA 0.841 4.961 4.120 -0.000 0.000 0.308 296 V C -1.056 174.863 176.094 -0.292 0.000 1.099 296 V CA -0.179 61.853 62.300 -0.446 0.000 0.920 296 V CB 1.656 32.902 31.823 -0.963 0.000 1.014 296 V HN 1.621 nan 8.190 nan 0.000 0.425 297 V N 4.309 124.073 119.914 -0.250 0.000 2.914 297 V HA 0.691 4.811 4.120 -0.000 0.000 0.314 297 V C -0.271 175.882 176.094 0.099 0.000 1.084 297 V CA -1.086 61.146 62.300 -0.113 0.000 0.963 297 V CB 1.850 33.448 31.823 -0.374 0.000 1.025 297 V HN 0.873 nan 8.190 nan 0.000 0.432 298 L N 3.639 125.010 121.223 0.246 0.000 2.483 298 L HA 0.279 4.618 4.340 -0.000 0.000 0.275 298 L C -1.094 175.838 176.870 0.103 0.000 1.220 298 L CA -0.922 54.079 54.840 0.270 0.000 0.833 298 L CB 1.046 43.194 42.059 0.148 0.000 1.102 298 L HN 0.616 nan 8.230 nan 0.000 0.490 299 P HA 0.049 nan 4.420 nan 0.000 0.249 299 P C 0.348 177.911 177.300 0.439 0.000 1.241 299 P CA 0.650 63.733 63.100 -0.027 0.000 0.781 299 P CB 0.475 31.915 31.700 -0.433 0.000 1.088 300 G N -0.847 108.191 108.800 0.396 0.000 2.508 300 G HA2 0.026 3.986 3.960 -0.000 0.000 0.232 300 G HA3 0.026 3.986 3.960 -0.000 0.000 0.232 300 G C -0.879 174.112 174.900 0.151 0.000 1.450 300 G CA -0.717 44.595 45.100 0.354 0.000 0.923 300 G HN 0.074 nan 8.290 nan 0.000 0.559 301 V N 1.186 121.031 119.914 -0.115 0.000 2.409 301 V HA 0.721 4.841 4.120 -0.000 0.000 0.291 301 V C 0.382 176.292 176.094 -0.306 0.000 1.020 301 V CA -1.024 61.039 62.300 -0.396 0.000 0.848 301 V CB 1.620 33.085 31.823 -0.597 0.000 0.990 301 V HN 0.616 nan 8.190 nan 0.000 0.430 302 L N 5.556 126.656 121.223 -0.206 0.000 2.334 302 L HA 0.712 5.052 4.340 -0.000 0.000 0.277 302 L C -0.304 176.509 176.870 -0.095 0.000 1.075 302 L CA 0.025 54.809 54.840 -0.093 0.000 0.804 302 L CB 1.273 43.384 42.059 0.088 0.000 1.174 302 L HN 0.830 nan 8.230 nan 0.000 0.438 303 M N 5.522 125.071 119.600 -0.085 0.000 2.259 303 M HA 0.566 5.046 4.480 -0.000 0.000 0.304 303 M C -1.796 174.400 176.300 -0.173 0.000 1.019 303 M CA -0.636 54.589 55.300 -0.124 0.000 0.922 303 M CB 1.668 34.283 32.600 0.025 0.000 1.600 303 M HN 0.356 nan 8.290 nan 0.000 0.433 304 V N 4.599 124.354 119.914 -0.265 0.000 2.284 304 V HA 0.326 4.446 4.120 -0.000 0.000 0.274 304 V C -0.328 175.628 176.094 -0.230 0.000 1.023 304 V CA -0.696 61.468 62.300 -0.226 0.000 0.808 304 V CB 0.772 32.406 31.823 -0.314 0.000 1.035 304 V HN 0.885 nan 8.190 nan 0.000 0.445 305 E N 2.924 122.969 120.200 -0.259 0.000 2.398 305 E HA 0.115 4.465 4.350 -0.000 0.000 0.263 305 E C 0.611 176.916 176.600 -0.492 0.000 1.046 305 E CA -0.030 56.146 56.400 -0.373 0.000 0.908 305 E CB 0.129 29.571 29.700 -0.429 0.000 0.963 305 E HN 0.676 nan 8.360 nan 0.000 0.431 306 N N 1.457 119.893 118.700 -0.440 0.000 2.738 306 N HA -0.174 4.565 4.740 -0.000 0.000 0.249 306 N C -1.949 173.457 175.510 -0.172 0.000 1.047 306 N CA 0.651 53.470 53.050 -0.386 0.000 0.707 306 N CB -0.426 37.627 38.487 -0.723 0.000 0.937 306 N HN 0.561 nan 8.380 nan 0.000 0.545 307 W N 0.382 121.487 121.300 -0.326 0.000 3.097 307 W HA 0.407 5.067 4.660 -0.000 0.000 0.335 307 W C -2.434 173.906 176.519 -0.298 0.000 1.114 307 W CA -1.634 55.526 57.345 -0.307 0.000 1.231 307 W CB 1.622 30.874 29.460 -0.347 0.000 1.388 307 W HN -0.060 nan 8.180 nan 0.000 0.485 308 P HA 0.041 nan 4.420 nan 0.000 0.245 308 P C -0.350 176.570 177.300 -0.633 0.000 1.206 308 P CA 1.160 63.481 63.100 -1.299 0.000 0.781 308 P CB 1.252 32.295 31.700 -1.094 0.000 0.994 309 E N -0.549 119.442 120.200 -0.348 0.000 2.446 309 E HA 0.273 4.623 4.350 -0.000 0.000 0.276 309 E C -0.705 175.819 176.600 -0.127 0.000 0.969 309 E CA -0.977 55.331 56.400 -0.154 0.000 0.800 309 E CB 1.397 31.102 29.700 0.008 0.000 1.341 309 E HN -0.031 nan 8.360 nan 0.000 0.460 310 E N 0.528 120.658 120.200 -0.117 0.000 2.442 310 E HA -0.031 4.319 4.350 -0.000 0.000 0.262 310 E C -0.483 176.014 176.600 -0.172 0.000 1.004 310 E CA 0.886 57.153 56.400 -0.221 0.000 0.928 310 E CB 0.060 29.557 29.700 -0.339 0.000 0.937 310 E HN 0.605 nan 8.360 nan 0.000 0.446 311 H N -1.788 117.275 119.070 -0.011 0.000 3.642 311 H HA -0.169 4.387 4.556 -0.000 0.000 0.185 311 H C -0.617 174.666 175.328 -0.076 0.000 0.992 311 H CA 0.403 56.435 56.048 -0.027 0.000 1.216 311 H CB -1.006 28.745 29.762 -0.017 0.000 1.055 311 H HN 0.161 nan 8.280 nan 0.000 0.351 312 V N 1.009 120.922 119.914 -0.002 0.000 2.628 312 V HA 0.622 4.742 4.120 -0.000 0.000 0.306 312 V C -0.111 175.925 176.094 -0.097 0.000 1.045 312 V CA -0.423 61.840 62.300 -0.061 0.000 0.905 312 V CB 2.075 33.843 31.823 -0.092 0.000 0.997 312 V HN 0.071 nan 8.190 nan 0.000 0.436 313 V N 3.953 123.809 119.914 -0.096 0.000 2.876 313 V HA 0.601 4.721 4.120 -0.000 0.000 0.312 313 V C -0.816 175.137 176.094 -0.234 0.000 1.085 313 V CA -0.389 61.786 62.300 -0.207 0.000 0.945 313 V CB 2.122 33.759 31.823 -0.311 0.000 1.017 313 V HN 1.030 nan 8.190 nan 0.000 0.428 314 Q N 3.652 123.288 119.800 -0.274 0.000 2.316 314 Q HA 0.560 4.900 4.340 -0.000 0.000 0.264 314 Q C -2.092 173.695 176.000 -0.355 0.000 0.987 314 Q CA -0.507 55.202 55.803 -0.157 0.000 0.852 314 Q CB 1.807 30.570 28.738 0.041 0.000 1.287 314 Q HN 0.780 nan 8.270 nan 0.000 0.448 315 Y N 1.350 121.666 120.300 0.028 0.000 2.446 315 Y HA 0.462 5.012 4.550 -0.000 0.000 0.345 315 Y C -0.368 175.458 175.900 -0.122 0.000 0.984 315 Y CA -0.803 57.208 58.100 -0.148 0.000 1.058 315 Y CB 2.264 40.595 38.460 -0.216 0.000 1.220 315 Y HN 0.539 nan 8.280 nan 0.000 0.455 316 E N 2.396 122.507 120.200 -0.148 0.000 2.314 316 E HA 0.313 4.663 4.350 -0.000 0.000 0.272 316 E C -1.537 174.830 176.600 -0.389 0.000 0.884 316 E CA -0.855 55.480 56.400 -0.108 0.000 0.753 316 E CB 2.531 32.240 29.700 0.015 0.000 1.213 316 E HN 0.489 nan 8.360 nan 0.000 0.432 317 W N 1.198 122.317 121.300 -0.302 0.000 2.882 317 W HA 0.386 5.046 4.660 -0.000 0.000 0.345 317 W C -0.908 175.332 176.519 -0.465 0.000 1.125 317 W CA -0.654 56.536 57.345 -0.258 0.000 1.167 317 W CB 1.634 30.987 29.460 -0.178 0.000 1.431 317 W HN 0.601 nan 8.180 nan 0.000 0.543 318 Y N 0.663 121.297 120.300 0.557 0.000 2.592 318 Y HA 0.255 4.805 4.550 -0.000 0.000 0.354 318 Y C 0.126 176.259 175.900 0.388 0.000 1.063 318 Y CA -0.724 57.672 58.100 0.494 0.000 1.205 318 Y CB 0.191 38.853 38.460 0.337 0.000 1.106 318 Y HN -0.149 nan 8.280 nan 0.000 0.649 319 V N 3.904 124.035 119.914 0.362 0.000 2.446 319 V HA 0.155 4.275 4.120 -0.000 0.000 0.276 319 V C -2.153 173.909 176.094 -0.054 0.000 1.030 319 V CA -1.861 60.460 62.300 0.034 0.000 1.033 319 V CB 0.489 32.266 31.823 -0.077 0.000 0.993 319 V HN 0.337 nan 8.190 nan 0.000 0.477 320 P HA 0.243 nan 4.420 nan 0.000 0.267 320 P C 0.461 177.668 177.300 -0.155 0.000 1.205 320 P CA 0.234 63.200 63.100 -0.224 0.000 0.765 320 P CB 0.821 32.186 31.700 -0.558 0.000 0.828 321 I N 0.823 121.370 120.570 -0.039 0.000 2.899 321 I HA 0.052 4.222 4.170 -0.000 0.000 0.257 321 I C 1.346 177.474 176.117 0.019 0.000 1.115 321 I CA 0.955 62.262 61.300 0.012 0.000 1.451 321 I CB -0.018 38.015 38.000 0.054 0.000 1.251 321 I HN 0.399 nan 8.210 nan 0.000 0.456 322 T N -2.789 111.705 114.554 -0.100 0.000 2.604 322 T HA 0.172 4.522 4.350 -0.000 0.000 0.267 322 T C 0.197 174.463 174.700 -0.723 0.000 0.923 322 T CA -0.241 61.618 62.100 -0.401 0.000 1.077 322 T CB 0.914 69.602 68.868 -0.300 0.000 1.392 322 T HN 0.188 nan 8.240 nan 0.000 0.531 323 D N -0.078 119.537 120.400 -1.308 0.000 2.340 323 D HA 0.040 4.680 4.640 -0.000 0.000 0.220 323 D C 0.551 176.714 176.300 -0.228 0.000 1.039 323 D CA 0.458 53.941 54.000 -0.861 0.000 0.866 323 D CB -0.215 39.896 40.800 -1.148 0.000 0.913 323 D HN 0.723 nan 8.370 nan 0.000 0.523 324 D N -0.280 119.999 120.400 -0.202 0.000 2.582 324 D HA 0.043 4.683 4.640 -0.000 0.000 0.246 324 D C -0.221 176.063 176.300 -0.026 0.000 1.334 324 D CA -0.277 53.670 54.000 -0.088 0.000 0.805 324 D CB -0.165 40.465 40.800 -0.283 0.000 1.087 324 D HN 0.096 nan 8.370 nan 0.000 0.499 325 T N -2.216 112.328 114.554 -0.017 0.000 2.900 325 T HA 0.634 4.984 4.350 -0.000 0.000 0.303 325 T C -0.792 173.942 174.700 0.056 0.000 1.142 325 T CA -0.822 61.260 62.100 -0.030 0.000 1.007 325 T CB 2.518 71.335 68.868 -0.085 0.000 1.156 325 T HN 0.342 nan 8.240 nan 0.000 0.490 326 H N -0.101 118.928 119.070 -0.068 0.000 3.037 326 H HA 0.659 5.215 4.556 -0.000 0.000 0.355 326 H C -1.717 173.564 175.328 -0.079 0.000 1.263 326 H CA -0.730 55.312 56.048 -0.011 0.000 1.129 326 H CB 1.823 31.679 29.762 0.157 0.000 1.861 326 H HN 0.639 nan 8.280 nan 0.000 0.546 327 E N 1.660 121.817 120.200 -0.072 0.000 2.081 327 E HA 0.171 4.520 4.350 -0.000 0.000 0.281 327 E C -1.542 175.143 176.600 0.142 0.000 0.986 327 E CA -0.683 55.578 56.400 -0.232 0.000 0.796 327 E CB 0.141 29.453 29.700 -0.647 0.000 1.085 327 E HN 0.423 nan 8.360 nan 0.000 0.398 328 Y N 4.975 125.249 120.300 -0.042 0.000 2.365 328 Y HA 0.386 4.935 4.550 -0.000 0.000 0.340 328 Y C -1.306 174.608 175.900 0.023 0.000 1.016 328 Y CA -0.993 57.171 58.100 0.107 0.000 1.196 328 Y CB 0.269 38.792 38.460 0.105 0.000 1.167 328 Y HN 0.473 nan 8.280 nan 0.000 0.509 329 W N 5.526 126.617 121.300 -0.348 0.000 2.520 329 W HA 0.524 5.184 4.660 -0.000 0.000 0.323 329 W C -0.559 175.693 176.519 -0.445 0.000 1.062 329 W CA -0.787 56.383 57.345 -0.292 0.000 1.215 329 W CB 1.331 30.773 29.460 -0.031 0.000 1.340 329 W HN 0.508 nan 8.180 nan 0.000 0.516 330 E N 4.689 124.836 120.200 -0.089 0.000 2.343 330 E HA 0.428 4.777 4.350 -0.000 0.000 0.260 330 E C -1.218 175.520 176.600 0.230 0.000 0.908 330 E CA -0.410 55.968 56.400 -0.037 0.000 0.814 330 E CB 0.812 30.357 29.700 -0.257 0.000 1.302 330 E HN 0.565 nan 8.360 nan 0.000 0.408 331 I N 1.158 121.937 120.570 0.349 0.000 2.828 331 I HA 0.588 4.758 4.170 -0.000 0.000 0.302 331 I C -1.487 174.824 176.117 0.324 0.000 1.101 331 I CA -1.216 60.317 61.300 0.389 0.000 1.031 331 I CB 1.899 40.226 38.000 0.546 0.000 1.231 331 I HN 0.340 nan 8.210 nan 0.000 0.427 332 L N 4.958 126.355 121.223 0.291 0.000 2.341 332 L HA 0.713 5.052 4.340 -0.000 0.000 0.278 332 L C -0.733 176.374 176.870 0.395 0.000 1.005 332 L CA -1.029 53.976 54.840 0.275 0.000 0.818 332 L CB 2.071 44.282 42.059 0.252 0.000 1.259 332 L HN 0.429 nan 8.230 nan 0.000 0.418 333 V N 3.111 123.212 119.914 0.312 0.000 2.715 333 V HA 0.658 4.778 4.120 -0.000 0.000 0.310 333 V C -0.406 175.702 176.094 0.024 0.000 1.054 333 V CA -0.709 61.754 62.300 0.271 0.000 0.928 333 V CB 2.263 34.289 31.823 0.338 0.000 1.007 333 V HN 0.782 nan 8.190 nan 0.000 0.437 334 R N 2.096 122.469 120.500 -0.212 0.000 2.561 334 R HA 0.605 4.945 4.340 -0.000 0.000 0.266 334 R C -2.012 174.111 176.300 -0.294 0.000 1.091 334 R CA -0.524 55.307 56.100 -0.449 0.000 0.927 334 R CB 2.218 31.813 30.300 -1.176 0.000 1.240 334 R HN 0.510 nan 8.270 nan 0.000 0.449 335 V N 3.793 123.608 119.914 -0.165 0.000 2.455 335 V HA 0.213 4.333 4.120 -0.000 0.000 0.273 335 V C -0.306 175.724 176.094 -0.107 0.000 1.045 335 V CA -0.176 62.069 62.300 -0.091 0.000 0.976 335 V CB 0.931 32.725 31.823 -0.048 0.000 0.993 335 V HN 0.724 nan 8.190 nan 0.000 0.475 336 C N 8.322 127.590 119.300 -0.054 0.000 2.409 336 C HA 0.342 4.802 4.460 -0.000 0.000 0.297 336 C C -0.520 174.476 174.990 0.009 0.000 1.083 336 C CA -0.911 58.098 59.018 -0.015 0.000 1.515 336 C CB 0.904 28.671 27.740 0.044 0.000 1.869 336 C HN 0.722 nan 8.230 nan 0.000 0.413 337 P HA -0.070 nan 4.420 nan 0.000 0.217 337 P C 0.648 177.959 177.300 0.018 0.000 1.150 337 P CA 1.603 64.707 63.100 0.006 0.000 0.832 337 P CB 0.102 31.800 31.700 -0.004 0.000 0.787 338 T N -4.096 110.472 114.554 0.022 0.000 2.950 338 T HA 0.290 4.640 4.350 -0.000 0.000 0.288 338 T C 0.840 175.567 174.700 0.044 0.000 1.035 338 T CA -0.593 61.524 62.100 0.029 0.000 1.028 338 T CB 1.663 70.545 68.868 0.024 0.000 1.109 338 T HN -0.259 nan 8.240 nan 0.000 0.514 339 D N -0.176 120.250 120.400 0.043 0.000 2.182 339 D HA -0.145 4.495 4.640 -0.000 0.000 0.201 339 D C 1.713 178.050 176.300 0.061 0.000 0.986 339 D CA 1.199 55.230 54.000 0.052 0.000 0.847 339 D CB -0.000 40.825 40.800 0.041 0.000 0.942 339 D HN 0.676 nan 8.370 nan 0.000 0.467 340 E N -0.046 120.184 120.200 0.050 0.000 2.106 340 E HA -0.130 4.219 4.350 -0.000 0.000 0.192 340 E C 1.486 178.129 176.600 0.072 0.000 0.984 340 E CA 0.787 57.216 56.400 0.050 0.000 0.806 340 E CB 0.051 29.771 29.700 0.032 0.000 0.750 340 E HN 0.404 nan 8.360 nan 0.000 0.458 341 D N 0.246 120.688 120.400 0.071 0.000 2.144 341 D HA -0.133 4.507 4.640 -0.000 0.000 0.199 341 D C 2.010 178.405 176.300 0.158 0.000 0.984 341 D CA 0.753 54.806 54.000 0.089 0.000 0.834 341 D CB -0.179 40.651 40.800 0.050 0.000 0.955 341 D HN 0.144 nan 8.370 nan 0.000 0.465 342 R N 0.778 121.372 120.500 0.156 0.000 2.092 342 R HA -0.039 4.300 4.340 -0.000 0.000 0.231 342 R C 2.225 178.673 176.300 0.247 0.000 1.119 342 R CA 0.815 57.051 56.100 0.226 0.000 0.970 342 R CB -0.041 30.357 30.300 0.163 0.000 0.864 342 R HN 0.210 nan 8.270 nan 0.000 0.440 343 K N 0.473 120.975 120.400 0.171 0.000 2.097 343 K HA -0.062 4.258 4.320 -0.000 0.000 0.205 343 K C 2.045 178.758 176.600 0.188 0.000 1.050 343 K CA 0.832 57.211 56.287 0.153 0.000 0.938 343 K CB 0.064 32.622 32.500 0.095 0.000 0.718 343 K HN 0.006 nan 8.250 nan 0.000 0.442 344 K N 0.523 121.035 120.400 0.186 0.000 2.026 344 K HA -0.126 4.194 4.320 -0.000 0.000 0.208 344 K C 2.018 178.810 176.600 0.319 0.000 1.048 344 K CA 1.084 57.493 56.287 0.203 0.000 0.929 344 K CB -0.403 32.192 32.500 0.160 0.000 0.713 344 K HN 0.101 nan 8.250 nan 0.000 0.439 345 F N 2.660 122.716 119.950 0.178 0.000 2.146 345 F HA -0.177 4.350 4.527 -0.000 0.000 0.298 345 F C 2.564 178.498 175.800 0.224 0.000 1.096 345 F CA 1.458 59.601 58.000 0.238 0.000 1.275 345 F CB -0.494 38.666 39.000 0.265 0.000 1.008 345 F HN 0.037 nan 8.300 nan 0.000 0.480 346 Q N -0.668 119.223 119.800 0.151 0.000 2.084 346 Q HA -0.263 4.077 4.340 -0.000 0.000 0.202 346 Q C 2.148 178.087 176.000 -0.102 0.000 0.978 346 Q CA 2.100 57.819 55.803 -0.140 0.000 0.844 346 Q CB -1.017 27.734 28.738 0.022 0.000 0.898 346 Q HN 0.578 nan 8.270 nan 0.000 0.426 347 Y N 0.158 120.430 120.300 -0.046 0.000 2.163 347 Y HA -0.112 4.438 4.550 -0.000 0.000 0.288 347 Y C 2.324 178.176 175.900 -0.079 0.000 1.136 347 Y CA 1.970 60.063 58.100 -0.011 0.000 1.147 347 Y CB -0.059 38.440 38.460 0.064 0.000 0.987 347 Y HN 0.075 nan 8.280 nan 0.000 0.509 348 R N -1.208 119.292 120.500 -0.000 0.000 2.148 348 R HA -0.196 4.144 4.340 -0.000 0.000 0.227 348 R C 2.066 177.985 176.300 -0.635 0.000 1.103 348 R CA 1.382 57.299 56.100 -0.304 0.000 0.983 348 R CB -0.551 29.576 30.300 -0.288 0.000 0.874 348 R HN 0.539 nan 8.270 nan 0.000 0.451 349 Y N 1.098 121.072 120.300 -0.545 0.000 2.184 349 Y HA -0.136 4.414 4.550 -0.000 0.000 0.290 349 Y C 1.541 177.181 175.900 -0.433 0.000 1.129 349 Y CA 1.704 59.558 58.100 -0.409 0.000 1.144 349 Y CB -0.131 37.994 38.460 -0.559 0.000 0.995 349 Y HN 0.055 nan 8.280 nan 0.000 0.513 350 D N -0.845 119.186 120.400 -0.615 0.000 2.144 350 D HA -0.167 4.473 4.640 -0.000 0.000 0.199 350 D C 1.328 177.050 176.300 -0.963 0.000 0.984 350 D CA 1.748 55.245 54.000 -0.837 0.000 0.834 350 D CB -0.277 39.963 40.800 -0.934 0.000 0.955 350 D HN 0.557 nan 8.370 nan 0.000 0.465 351 H N -1.812 116.941 119.070 -0.529 0.000 2.592 351 H HA 0.252 4.808 4.556 -0.000 0.000 0.279 351 H C 1.314 176.433 175.328 -0.348 0.000 1.089 351 H CA 0.005 55.784 56.048 -0.447 0.000 1.150 351 H CB 1.119 30.527 29.762 -0.590 0.000 1.575 351 H HN 0.083 nan 8.280 nan 0.000 0.547 352 M N -0.998 118.408 119.600 -0.322 0.000 1.873 352 M HA -0.006 4.474 4.480 -0.000 0.000 0.175 352 M C 1.036 177.246 176.300 -0.151 0.000 1.745 352 M CA 0.384 55.534 55.300 -0.251 0.000 0.885 352 M CB -0.436 31.948 32.600 -0.360 0.000 1.557 352 M HN -0.087 nan 8.290 nan 0.000 0.613 353 Y N 1.711 121.906 120.300 -0.175 0.000 2.097 353 Y HA -0.189 4.361 4.550 -0.000 0.000 0.282 353 Y C 2.517 178.278 175.900 -0.231 0.000 1.152 353 Y CA 2.088 60.102 58.100 -0.144 0.000 1.136 353 Y CB -1.405 37.051 38.460 -0.006 0.000 0.975 353 Y HN 0.340 nan 8.280 nan 0.000 0.498 354 K N 0.256 120.425 120.400 -0.384 0.000 1.985 354 K HA -0.146 4.174 4.320 -0.000 0.000 0.210 354 K C -0.658 175.864 176.600 -0.131 0.000 1.047 354 K CA 1.765 57.780 56.287 -0.454 0.000 0.932 354 K CB -1.134 30.837 32.500 -0.880 0.000 0.716 354 K HN 0.202 nan 8.250 nan 0.000 0.439 355 P HA -0.141 nan 4.420 nan 0.000 0.217 355 P C 1.343 178.683 177.300 0.067 0.000 1.151 355 P CA 1.425 64.528 63.100 0.004 0.000 0.828 355 P CB 0.092 31.757 31.700 -0.059 0.000 0.788 356 L N -1.808 119.441 121.223 0.044 0.000 2.357 356 L HA 0.076 4.416 4.340 -0.000 0.000 0.211 356 L C 2.626 179.595 176.870 0.167 0.000 1.075 356 L CA 0.662 55.556 54.840 0.089 0.000 0.830 356 L CB -0.414 41.661 42.059 0.026 0.000 0.996 356 L HN 0.022 nan 8.230 nan 0.000 0.467 357 C N -0.625 118.765 119.300 0.149 0.000 2.664 357 C HA 0.082 4.542 4.460 -0.000 0.000 0.285 357 C C 2.537 177.689 174.990 0.270 0.000 1.386 357 C CA -0.290 58.855 59.018 0.212 0.000 1.753 357 C CB -0.492 27.317 27.740 0.116 0.000 2.115 357 C HN 0.307 nan 8.230 nan 0.000 0.577 358 L N 0.252 121.566 121.223 0.151 0.000 2.017 358 L HA -0.084 4.256 4.340 -0.000 0.000 0.208 358 L C 0.768 177.656 176.870 0.030 0.000 1.073 358 L CA 1.411 56.295 54.840 0.074 0.000 0.745 358 L CB -0.847 41.176 42.059 -0.060 0.000 0.894 358 L HN 0.530 nan 8.230 nan 0.000 0.432 359 H N -0.924 118.233 119.070 0.145 0.000 2.458 359 H HA 0.428 4.984 4.556 -0.000 0.000 0.330 359 H C 0.702 176.130 175.328 0.166 0.000 1.111 359 H CA 0.439 56.568 56.048 0.134 0.000 1.245 359 H CB 1.715 31.516 29.762 0.066 0.000 1.456 359 H HN 0.228 nan 8.280 nan 0.000 0.488 360 G N 3.090 112.083 108.800 0.322 0.000 4.686 360 G HA2 -0.342 3.618 3.960 -0.000 0.000 0.235 360 G HA3 -0.342 3.618 3.960 -0.000 0.000 0.235 360 G C 1.017 176.111 174.900 0.322 0.000 1.589 360 G CA 0.414 45.678 45.100 0.275 0.000 1.172 360 G HN 0.513 nan 8.290 nan 0.000 0.660 361 F N 2.667 122.755 119.950 0.230 0.000 2.031 361 F HA 0.057 4.584 4.527 -0.000 0.000 0.295 361 F C 2.490 178.484 175.800 0.323 0.000 1.133 361 F CA 2.749 60.907 58.000 0.264 0.000 1.188 361 F CB -0.450 38.679 39.000 0.215 0.000 0.974 361 F HN 0.325 nan 8.300 nan 0.000 0.473 362 N N -0.002 118.975 118.700 0.461 0.000 2.459 362 N HA -0.136 4.604 4.740 -0.000 0.000 0.181 362 N C 1.073 176.716 175.510 0.222 0.000 1.046 362 N CA 0.904 54.162 53.050 0.347 0.000 0.904 362 N CB -0.192 38.535 38.487 0.401 0.000 0.964 362 N HN 0.256 nan 8.380 nan 0.000 0.444 363 D N -0.381 120.159 120.400 0.232 0.000 2.178 363 D HA -0.036 4.604 4.640 -0.000 0.000 0.202 363 D C 1.672 178.074 176.300 0.169 0.000 0.974 363 D CA 0.801 54.913 54.000 0.186 0.000 0.841 363 D CB -0.134 40.850 40.800 0.307 0.000 0.953 363 D HN 0.090 nan 8.370 nan 0.000 0.478 364 S N 0.503 116.296 115.700 0.156 0.000 2.382 364 S HA -0.128 4.342 4.470 -0.000 0.000 0.228 364 S C 1.401 175.987 174.600 -0.023 0.000 1.027 364 S CA 0.888 59.130 58.200 0.070 0.000 0.991 364 S CB -0.062 63.076 63.200 -0.103 0.000 0.823 364 S HN 0.266 nan 8.310 nan 0.000 0.469 365 D N 1.362 121.740 120.400 -0.035 0.000 2.144 365 D HA -0.025 4.615 4.640 -0.000 0.000 0.200 365 D C 1.930 178.141 176.300 -0.147 0.000 0.978 365 D CA 0.423 54.370 54.000 -0.087 0.000 0.833 365 D CB -0.356 40.438 40.800 -0.009 0.000 0.961 365 D HN 0.250 nan 8.370 nan 0.000 0.470 366 L N 0.086 121.197 121.223 -0.187 0.000 1.989 366 L HA -0.251 4.089 4.340 -0.000 0.000 0.211 366 L C 2.159 178.840 176.870 -0.315 0.000 1.071 366 L CA 1.644 56.283 54.840 -0.336 0.000 0.749 366 L CB -0.356 41.426 42.059 -0.461 0.000 0.890 366 L HN 0.109 nan 8.230 nan 0.000 0.431 367 Y N -0.802 119.489 120.300 -0.015 0.000 2.457 367 Y HA -0.037 4.513 4.550 -0.000 0.000 0.292 367 Y C 2.502 178.378 175.900 -0.040 0.000 1.125 367 Y CA 0.598 58.692 58.100 -0.010 0.000 1.254 367 Y CB -0.389 38.067 38.460 -0.006 0.000 1.012 367 Y HN 0.264 nan 8.280 nan 0.000 0.555 368 A N 0.655 123.499 122.820 0.040 0.000 1.929 368 A HA -0.138 4.182 4.320 -0.000 0.000 0.216 368 A C 2.163 179.711 177.584 -0.061 0.000 1.176 368 A CA 1.143 53.164 52.037 -0.027 0.000 0.628 368 A CB -0.386 18.563 19.000 -0.085 0.000 0.816 368 A HN 0.372 nan 8.150 nan 0.000 0.444 369 R N -0.292 120.148 120.500 -0.099 0.000 2.073 369 R HA -0.110 4.230 4.340 -0.000 0.000 0.234 369 R C 2.170 178.443 176.300 -0.043 0.000 1.134 369 R CA 1.540 57.567 56.100 -0.121 0.000 0.952 369 R CB -0.345 29.861 30.300 -0.156 0.000 0.850 369 R HN 0.643 nan 8.270 nan 0.000 0.433 370 E N 0.562 120.767 120.200 0.010 0.000 2.058 370 E HA -0.196 4.154 4.350 -0.000 0.000 0.194 370 E C 2.034 178.672 176.600 0.064 0.000 0.997 370 E CA 1.202 57.643 56.400 0.069 0.000 0.801 370 E CB -0.124 29.649 29.700 0.121 0.000 0.746 370 E HN 0.381 nan 8.360 nan 0.000 0.450 371 A N 0.769 123.621 122.820 0.053 0.000 2.076 371 A HA -0.195 4.125 4.320 -0.000 0.000 0.220 371 A C 2.012 179.620 177.584 0.039 0.000 1.160 371 A CA 1.437 53.497 52.037 0.039 0.000 0.653 371 A CB -0.418 18.594 19.000 0.020 0.000 0.801 371 A HN 0.308 nan 8.150 nan 0.000 0.455 372 M N -1.486 118.139 119.600 0.042 0.000 2.501 372 M HA -0.030 4.450 4.480 -0.000 0.000 0.261 372 M C 1.732 178.154 176.300 0.204 0.000 1.129 372 M CA 0.533 55.895 55.300 0.102 0.000 1.126 372 M CB 0.028 32.651 32.600 0.039 0.000 1.359 372 M HN 0.321 nan 8.290 nan 0.000 0.471 373 Q N 0.962 120.838 119.800 0.127 0.000 2.077 373 Q HA -0.220 4.120 4.340 -0.000 0.000 0.206 373 Q C 1.428 177.558 176.000 0.218 0.000 0.989 373 Q CA 2.186 58.083 55.803 0.155 0.000 0.853 373 Q CB -1.050 27.753 28.738 0.108 0.000 0.907 373 Q HN 0.709 nan 8.270 nan 0.000 0.418 374 N N -0.112 118.693 118.700 0.174 0.000 2.137 374 N HA -0.168 4.572 4.740 -0.000 0.000 0.190 374 N C 1.516 177.140 175.510 0.190 0.000 1.017 374 N CA 0.730 53.880 53.050 0.168 0.000 0.859 374 N CB -0.223 38.334 38.487 0.117 0.000 1.002 374 N HN 0.091 nan 8.380 nan 0.000 0.428 375 F N 0.237 120.174 119.950 -0.022 0.000 2.293 375 F HA -0.111 4.416 4.527 -0.000 0.000 0.300 375 F C 1.066 176.646 175.800 -0.367 0.000 1.086 375 F CA 1.185 59.057 58.000 -0.213 0.000 1.375 375 F CB -0.133 38.670 39.000 -0.329 0.000 1.045 375 F HN 0.087 nan 8.300 nan 0.000 0.516 376 Y N -3.071 117.116 120.300 -0.187 0.000 2.524 376 Y HA -0.000 4.550 4.550 -0.000 0.000 0.270 376 Y C 2.119 177.972 175.900 -0.079 0.000 1.094 376 Y CA 0.553 58.414 58.100 -0.399 0.000 1.276 376 Y CB -0.988 37.085 38.460 -0.645 0.000 1.130 376 Y HN 0.053 nan 8.280 nan 0.000 0.536 377 Y N 2.248 122.618 120.300 0.116 0.000 2.114 377 Y HA -0.327 4.223 4.550 -0.000 0.000 0.282 377 Y C 1.916 177.884 175.900 0.113 0.000 1.165 377 Y CA 2.057 60.232 58.100 0.125 0.000 1.148 377 Y CB -0.144 38.365 38.460 0.082 0.000 0.972 377 Y HN 0.301 nan 8.280 nan 0.000 0.504 378 D N -1.310 119.056 120.400 -0.056 0.000 2.336 378 D HA 0.111 4.751 4.640 -0.000 0.000 0.229 378 D C 1.650 177.900 176.300 -0.085 0.000 1.061 378 D CA 0.886 54.819 54.000 -0.112 0.000 0.875 378 D CB -0.214 40.593 40.800 0.012 0.000 0.904 378 D HN 0.520 nan 8.370 nan 0.000 0.525 379 G N -0.756 108.029 108.800 -0.024 0.000 2.213 379 G HA2 -0.373 3.587 3.960 -0.000 0.000 0.236 379 G HA3 -0.373 3.587 3.960 -0.000 0.000 0.236 379 G C 1.295 176.176 174.900 -0.032 0.000 0.991 379 G CA 0.494 45.653 45.100 0.099 0.000 0.629 379 G HN 0.350 nan 8.290 nan 0.000 0.517 380 T N 0.949 115.374 114.554 -0.215 0.000 2.607 380 T HA -0.040 4.310 4.350 -0.000 0.000 0.267 380 T C 2.551 176.806 174.700 -0.742 0.000 1.049 380 T CA 2.600 64.470 62.100 -0.383 0.000 1.162 380 T CB -0.872 67.766 68.868 -0.384 0.000 0.863 380 T HN 1.121 nan 8.240 nan 0.000 0.424 381 G N -0.125 107.819 108.800 -1.428 0.000 2.450 381 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.220 381 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.220 381 G C 1.184 175.520 174.900 -0.939 0.000 1.130 381 G CA 0.463 44.263 45.100 -2.167 0.000 0.760 381 G HN 0.630 nan 8.290 nan 0.000 0.557 382 W N 0.536 121.709 121.300 -0.213 0.000 2.611 382 W HA 0.141 4.801 4.660 -0.000 0.000 0.251 382 W C 1.629 178.183 176.519 0.058 0.000 1.265 382 W CA 0.438 57.843 57.345 0.099 0.000 1.295 382 W CB 0.331 29.860 29.460 0.116 0.000 1.129 382 W HN 0.149 nan 8.180 nan 0.000 0.630 383 D N -1.647 118.807 120.400 0.089 0.000 2.626 383 D HA -0.057 4.583 4.640 -0.000 0.000 0.274 383 D C 1.182 177.492 176.300 0.017 0.000 1.045 383 D CA 0.848 54.891 54.000 0.071 0.000 0.925 383 D CB -0.524 40.297 40.800 0.034 0.000 1.260 383 D HN -0.067 nan 8.370 nan 0.000 0.490 384 D N 1.376 121.721 120.400 -0.091 0.000 2.349 384 D HA -0.008 4.632 4.640 -0.000 0.000 0.215 384 D C 0.459 176.827 176.300 0.114 0.000 1.016 384 D CA 0.149 54.143 54.000 -0.010 0.000 0.870 384 D CB -0.013 40.776 40.800 -0.019 0.000 0.917 384 D HN 0.473 nan 8.370 nan 0.000 0.524 385 E N 0.823 121.069 120.200 0.077 0.000 2.415 385 E HA 0.028 4.377 4.350 -0.000 0.000 0.262 385 E C -0.360 176.337 176.600 0.162 0.000 1.038 385 E CA 0.077 56.619 56.400 0.237 0.000 0.921 385 E CB 0.495 30.330 29.700 0.225 0.000 0.950 385 E HN 0.052 nan 8.360 nan 0.000 0.438 386 Q N 3.207 123.086 119.800 0.132 0.000 2.508 386 Q HA 0.304 4.644 4.340 -0.000 0.000 0.247 386 Q C -0.531 175.522 176.000 0.088 0.000 1.047 386 Q CA -0.343 55.517 55.803 0.094 0.000 0.783 386 Q CB 1.074 29.849 28.738 0.062 0.000 1.172 386 Q HN 0.495 nan 8.270 nan 0.000 0.515 387 L N 1.860 123.149 121.223 0.108 0.000 2.453 387 L HA 0.459 4.799 4.340 -0.000 0.000 0.261 387 L C 0.639 177.560 176.870 0.086 0.000 1.179 387 L CA -0.551 54.351 54.840 0.103 0.000 0.813 387 L CB 0.380 42.518 42.059 0.132 0.000 1.110 387 L HN 0.288 nan 8.230 nan 0.000 0.466 388 V N -1.300 118.662 119.914 0.080 0.000 3.221 388 V HA 0.625 4.745 4.120 -0.000 0.000 0.305 388 V C 0.952 177.094 176.094 0.080 0.000 1.263 388 V CA -0.082 62.260 62.300 0.070 0.000 1.048 388 V CB 0.887 32.744 31.823 0.057 0.000 1.203 388 V HN 0.800 nan 8.190 nan 0.000 0.476 389 A N 0.473 123.333 122.820 0.067 0.000 1.892 389 A HA -0.181 4.139 4.320 -0.000 0.000 0.218 389 A C 2.175 179.818 177.584 0.099 0.000 1.188 389 A CA 3.452 55.527 52.037 0.063 0.000 0.631 389 A CB -1.699 17.323 19.000 0.037 0.000 0.822 389 A HN 1.581 nan 8.150 nan 0.000 0.447 390 T N -2.359 112.271 114.554 0.127 0.000 2.977 390 T HA -0.109 4.241 4.350 -0.000 0.000 0.271 390 T C 0.868 175.698 174.700 0.216 0.000 1.105 390 T CA 1.367 63.592 62.100 0.208 0.000 1.116 390 T CB -0.400 68.577 68.868 0.181 0.000 0.878 390 T HN 0.424 nan 8.240 nan 0.000 0.509 391 D N 0.620 121.113 120.400 0.156 0.000 2.352 391 D HA 0.126 4.765 4.640 -0.000 0.000 0.232 391 D C 1.564 177.973 176.300 0.182 0.000 1.055 391 D CA -0.048 54.041 54.000 0.148 0.000 0.891 391 D CB -0.091 40.778 40.800 0.116 0.000 0.897 391 D HN 0.375 nan 8.370 nan 0.000 0.529 392 I N 0.496 121.190 120.570 0.207 0.000 2.454 392 I HA -0.231 3.939 4.170 -0.000 0.000 0.254 392 I C 1.877 178.158 176.117 0.274 0.000 1.156 392 I CA 1.133 62.559 61.300 0.210 0.000 1.433 392 I CB -0.073 38.033 38.000 0.176 0.000 1.082 392 I HN -0.208 nan 8.210 nan 0.000 0.432 393 S N 1.931 117.835 115.700 0.341 0.000 2.349 393 S HA -0.055 4.415 4.470 -0.000 0.000 0.216 393 S C -0.347 174.533 174.600 0.466 0.000 1.033 393 S CA 1.854 60.299 58.200 0.409 0.000 1.021 393 S CB -1.513 61.934 63.200 0.412 0.000 0.968 393 S HN 0.443 nan 8.310 nan 0.000 0.426 394 P HA -0.063 nan 4.420 nan 0.000 0.216 394 P C 1.413 178.845 177.300 0.221 0.000 1.150 394 P CA 1.112 64.432 63.100 0.366 0.000 0.837 394 P CB -0.224 31.532 31.700 0.094 0.000 0.786 395 I N -0.123 120.537 120.570 0.150 0.000 2.163 395 I HA -0.220 3.950 4.170 -0.000 0.000 0.243 395 I C 2.379 178.569 176.117 0.122 0.000 1.085 395 I CA 1.896 63.259 61.300 0.105 0.000 1.347 395 I CB -1.225 36.892 38.000 0.195 0.000 1.044 395 I HN 0.004 nan 8.210 nan 0.000 0.408 396 T N 0.435 115.099 114.554 0.183 0.000 2.788 396 T HA -0.239 4.111 4.350 -0.000 0.000 0.268 396 T C 1.519 176.309 174.700 0.150 0.000 1.044 396 T CA 1.475 63.677 62.100 0.170 0.000 1.139 396 T CB -0.394 68.590 68.868 0.193 0.000 0.867 396 T HN 0.590 nan 8.240 nan 0.000 0.454 397 W N 2.513 123.807 121.300 -0.010 0.000 2.358 397 W HA -0.136 4.524 4.660 -0.000 0.000 0.303 397 W C 1.959 178.394 176.519 -0.140 0.000 1.208 397 W CA 0.810 58.108 57.345 -0.078 0.000 1.274 397 W CB -0.291 29.125 29.460 -0.074 0.000 1.138 397 W HN 0.188 nan 8.180 nan 0.000 0.515 398 R N 0.549 120.654 120.500 -0.658 0.000 2.096 398 R HA -0.130 4.209 4.340 -0.000 0.000 0.235 398 R C 2.353 178.394 176.300 -0.431 0.000 1.127 398 R CA 1.724 57.184 56.100 -1.067 0.000 0.968 398 R CB -0.366 29.217 30.300 -1.194 0.000 0.861 398 R HN 0.185 nan 8.270 nan 0.000 0.440 399 K N 0.728 121.047 120.400 -0.134 0.000 2.025 399 K HA -0.130 4.190 4.320 -0.000 0.000 0.207 399 K C 2.175 178.766 176.600 -0.016 0.000 1.049 399 K CA 1.426 57.726 56.287 0.022 0.000 0.933 399 K CB -0.290 32.270 32.500 0.099 0.000 0.714 399 K HN 0.118 nan 8.250 nan 0.000 0.438 400 L N -0.692 120.524 121.223 -0.013 0.000 2.093 400 L HA 0.050 4.390 4.340 -0.000 0.000 0.208 400 L C 2.256 179.128 176.870 0.004 0.000 1.085 400 L CA 1.750 56.654 54.840 0.107 0.000 0.755 400 L CB -0.835 41.320 42.059 0.159 0.000 0.904 400 L HN -0.031 nan 8.230 nan 0.000 0.435 401 A N -0.095 122.531 122.820 -0.323 0.000 1.930 401 A HA -0.117 4.203 4.320 -0.000 0.000 0.217 401 A C 2.408 179.814 177.584 -0.296 0.000 1.175 401 A CA 1.832 53.593 52.037 -0.459 0.000 0.627 401 A CB -0.985 17.535 19.000 -0.800 0.000 0.815 401 A HN 0.560 nan 8.150 nan 0.000 0.443 402 S N -0.505 115.127 115.700 -0.113 0.000 2.382 402 S HA -0.133 4.337 4.470 -0.000 0.000 0.228 402 S C 2.079 176.611 174.600 -0.114 0.000 1.027 402 S CA 1.396 59.589 58.200 -0.013 0.000 0.991 402 S CB -0.255 62.983 63.200 0.064 0.000 0.823 402 S HN 0.606 nan 8.310 nan 0.000 0.469 403 R N -0.714 119.687 120.500 -0.164 0.000 2.093 403 R HA 0.004 4.344 4.340 -0.000 0.000 0.224 403 R C 1.264 177.187 176.300 -0.627 0.000 1.101 403 R CA 1.145 57.013 56.100 -0.386 0.000 0.979 403 R CB -0.095 29.949 30.300 -0.426 0.000 0.877 403 R HN 0.460 nan 8.270 nan 0.000 0.441 404 W N 1.245 122.487 121.300 -0.098 0.000 3.127 404 W HA 0.124 4.783 4.660 -0.000 0.000 0.344 404 W C 0.025 176.494 176.519 -0.083 0.000 1.151 404 W CA -0.901 56.404 57.345 -0.067 0.000 1.765 404 W CB -0.140 29.302 29.460 -0.030 0.000 1.085 404 W HN 0.063 nan 8.180 nan 0.000 0.596 405 N N 0.873 119.503 118.700 -0.118 0.000 2.441 405 N HA 0.019 4.758 4.740 -0.000 0.000 0.251 405 N C 0.603 176.168 175.510 0.092 0.000 1.242 405 N CA 0.005 52.952 53.050 -0.172 0.000 0.898 405 N CB 0.554 38.447 38.487 -0.990 0.000 1.100 405 N HN 0.061 nan 8.380 nan 0.000 0.443 406 R N 0.826 121.469 120.500 0.238 0.000 2.391 406 R HA 0.275 4.614 4.340 -0.000 0.000 0.249 406 R C 0.061 176.435 176.300 0.123 0.000 0.957 406 R CA -0.019 56.130 56.100 0.081 0.000 1.093 406 R CB -0.319 29.898 30.300 -0.138 0.000 1.156 406 R HN 0.817 nan 8.270 nan 0.000 0.526 407 G N 0.709 109.621 108.800 0.187 0.000 2.337 407 G HA2 0.085 4.045 3.960 -0.000 0.000 0.310 407 G HA3 0.085 4.045 3.960 -0.000 0.000 0.310 407 G C -1.348 173.735 174.900 0.305 0.000 1.534 407 G CA -1.025 44.192 45.100 0.195 0.000 0.982 407 G HN 0.048 nan 8.290 nan 0.000 0.672 408 I N 1.660 122.372 120.570 0.236 0.000 2.355 408 I HA 0.545 4.715 4.170 -0.000 0.000 0.288 408 I C 1.002 177.195 176.117 0.128 0.000 0.999 408 I CA -0.796 60.644 61.300 0.234 0.000 1.163 408 I CB 1.740 39.854 38.000 0.191 0.000 1.316 408 I HN 0.861 nan 8.210 nan 0.000 0.454 409 A N 7.384 130.271 122.820 0.111 0.000 2.511 409 A HA 0.227 4.547 4.320 -0.000 0.000 0.242 409 A C 0.156 177.742 177.584 0.003 0.000 1.069 409 A CA 0.035 52.105 52.037 0.055 0.000 0.763 409 A CB 0.095 19.139 19.000 0.074 0.000 1.001 409 A HN 0.701 nan 8.150 nan 0.000 0.498 410 K N 2.384 122.726 120.400 -0.098 0.000 2.126 410 K HA 0.369 4.688 4.320 -0.000 0.000 0.257 410 K C -2.502 173.764 176.600 -0.557 0.000 1.007 410 K CA -1.518 54.640 56.287 -0.215 0.000 0.928 410 K CB 0.236 32.642 32.500 -0.156 0.000 1.013 410 K HN 0.431 nan 8.250 nan 0.000 0.473 411 P HA -0.046 nan 4.420 nan 0.000 0.267 411 P C -0.243 176.380 177.300 -1.127 0.000 1.200 411 P CA -0.054 62.090 63.100 -1.593 0.000 0.772 411 P CB 0.419 31.672 31.700 -0.744 0.000 0.855 412 G N 2.897 110.823 108.800 -1.457 0.000 2.491 412 G HA2 0.321 4.281 3.960 -0.000 0.000 0.242 412 G HA3 0.321 4.281 3.960 -0.000 0.000 0.242 412 G C -0.422 174.292 174.900 -0.309 0.000 1.266 412 G CA -0.330 44.420 45.100 -0.584 0.000 0.844 412 G HN 0.329 nan 8.290 nan 0.000 0.571 413 R N 0.481 120.877 120.500 -0.173 0.000 2.533 413 R HA 0.480 4.820 4.340 -0.000 0.000 0.288 413 R C 0.487 176.755 176.300 -0.053 0.000 1.039 413 R CA -0.384 55.657 56.100 -0.097 0.000 0.909 413 R CB 1.298 31.540 30.300 -0.097 0.000 1.195 413 R HN 1.435 nan 8.270 nan 0.000 0.438 414 G N 0.818 109.604 108.800 -0.024 0.000 2.179 414 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.257 414 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.257 414 G C 0.017 174.915 174.900 -0.002 0.000 1.010 414 G CA 0.671 45.765 45.100 -0.011 0.000 0.736 414 G HN 0.674 nan 8.290 nan 0.000 0.513 415 V N -4.144 115.774 119.914 0.006 0.000 3.160 415 V HA 0.966 5.086 4.120 -0.000 0.000 0.310 415 V C 0.560 176.682 176.094 0.048 0.000 1.181 415 V CA -0.827 61.486 62.300 0.021 0.000 1.047 415 V CB 1.458 33.288 31.823 0.011 0.000 1.068 415 V HN 1.826 nan 8.190 nan 0.000 0.441 416 A N 0.782 123.634 122.820 0.053 0.000 2.520 416 A HA 0.559 4.879 4.320 -0.000 0.000 0.245 416 A C 1.513 179.157 177.584 0.100 0.000 1.072 416 A CA 0.848 52.923 52.037 0.063 0.000 0.761 416 A CB -0.658 18.371 19.000 0.048 0.000 1.004 416 A HN 2.881 nan 8.150 nan 0.000 0.499 417 G N 0.854 109.721 108.800 0.111 0.000 2.213 417 G HA2 -0.027 3.933 3.960 -0.000 0.000 0.236 417 G HA3 -0.027 3.933 3.960 -0.000 0.000 0.236 417 G C 1.235 176.300 174.900 0.275 0.000 0.991 417 G CA 0.986 46.193 45.100 0.177 0.000 0.629 417 G HN 1.924 nan 8.290 nan 0.000 0.517 418 A N -0.585 122.348 122.820 0.189 0.000 1.969 418 A HA 0.508 4.828 4.320 -0.000 0.000 0.218 418 A C 1.198 178.876 177.584 0.156 0.000 1.169 418 A CA 2.018 54.147 52.037 0.154 0.000 0.635 418 A CB 0.070 19.099 19.000 0.049 0.000 0.810 418 A HN 1.166 nan 8.150 nan 0.000 0.445 419 V N 0.002 119.988 119.914 0.120 0.000 2.540 419 V HA 0.220 4.340 4.120 -0.000 0.000 0.302 419 V C 0.386 176.528 176.094 0.079 0.000 1.035 419 V CA -0.667 61.693 62.300 0.101 0.000 0.873 419 V CB 1.774 33.643 31.823 0.078 0.000 0.992 419 V HN 0.424 nan 8.190 nan 0.000 0.428 420 K N 1.690 122.132 120.400 0.070 0.000 2.361 420 K HA 0.058 4.378 4.320 -0.000 0.000 0.196 420 K C 0.169 176.733 176.600 -0.060 0.000 1.039 420 K CA 0.669 56.962 56.287 0.010 0.000 1.001 420 K CB 0.244 32.751 32.500 0.012 0.000 0.795 420 K HN 0.851 nan 8.250 nan 0.000 0.495 421 D N 1.071 121.473 120.400 0.003 0.000 2.891 421 D HA -0.020 4.620 4.640 -0.000 0.000 0.312 421 D C 0.020 176.416 176.300 0.159 0.000 1.354 421 D CA -0.409 53.604 54.000 0.021 0.000 0.838 421 D CB -0.191 40.741 40.800 0.220 0.000 1.117 421 D HN -0.067 nan 8.370 nan 0.000 0.473 422 T N -2.761 111.830 114.554 0.063 0.000 2.868 422 T HA 0.215 4.565 4.350 -0.000 0.000 0.292 422 T C 1.584 176.412 174.700 0.214 0.000 1.028 422 T CA -0.003 62.171 62.100 0.124 0.000 1.059 422 T CB 1.556 70.465 68.868 0.068 0.000 0.991 422 T HN 0.078 nan 8.240 nan 0.000 0.531 423 S N 1.728 117.557 115.700 0.216 0.000 2.419 423 S HA -0.080 4.390 4.470 -0.000 0.000 0.233 423 S C 1.967 176.672 174.600 0.175 0.000 1.016 423 S CA 0.503 58.847 58.200 0.239 0.000 0.974 423 S CB -0.847 62.435 63.200 0.137 0.000 0.786 423 S HN 0.653 nan 8.310 nan 0.000 0.492 424 L N 0.525 121.813 121.223 0.107 0.000 2.056 424 L HA 0.033 4.373 4.340 -0.000 0.000 0.207 424 L C 2.554 179.447 176.870 0.039 0.000 1.078 424 L CA 1.315 56.195 54.840 0.067 0.000 0.749 424 L CB -0.422 41.667 42.059 0.051 0.000 0.901 424 L HN 0.315 nan 8.230 nan 0.000 0.433 425 I N -1.306 119.259 120.570 -0.008 0.000 2.315 425 I HA -0.294 3.876 4.170 -0.000 0.000 0.248 425 I C 2.152 178.177 176.117 -0.154 0.000 1.117 425 I CA 1.368 62.601 61.300 -0.113 0.000 1.404 425 I CB -0.143 37.729 38.000 -0.214 0.000 1.071 425 I HN 0.106 nan 8.210 nan 0.000 0.419 426 F N 0.931 120.891 119.950 0.016 0.000 2.259 426 F HA -0.176 4.351 4.527 -0.000 0.000 0.298 426 F C 2.570 178.374 175.800 0.007 0.000 1.088 426 F CA 1.233 59.239 58.000 0.010 0.000 1.358 426 F CB -0.212 38.794 39.000 0.010 0.000 1.040 426 F HN -0.068 nan 8.300 nan 0.000 0.505 427 K N 0.612 121.116 120.400 0.173 0.000 2.002 427 K HA -0.228 4.092 4.320 -0.000 0.000 0.209 427 K C 1.936 178.573 176.600 0.061 0.000 1.048 427 K CA 1.749 58.096 56.287 0.101 0.000 0.930 427 K CB -0.247 32.297 32.500 0.074 0.000 0.714 427 K HN 0.303 nan 8.250 nan 0.000 0.438 428 Q N -0.159 119.663 119.800 0.037 0.000 2.096 428 Q HA -0.128 4.212 4.340 -0.000 0.000 0.204 428 Q C 2.084 178.091 176.000 0.012 0.000 0.982 428 Q CA 2.230 58.042 55.803 0.015 0.000 0.850 428 Q CB -0.177 28.561 28.738 0.001 0.000 0.901 428 Q HN 0.397 nan 8.270 nan 0.000 0.422 429 T N 0.968 115.525 114.554 0.005 0.000 2.746 429 T HA -0.154 4.196 4.350 -0.000 0.000 0.267 429 T C 1.946 176.666 174.700 0.033 0.000 1.039 429 T CA 1.213 63.314 62.100 0.001 0.000 1.142 429 T CB -0.311 68.543 68.868 -0.023 0.000 0.866 429 T HN 0.406 nan 8.240 nan 0.000 0.444 430 A N 1.964 124.824 122.820 0.065 0.000 1.933 430 A HA -0.132 4.188 4.320 -0.000 0.000 0.218 430 A C 1.939 179.542 177.584 0.030 0.000 1.175 430 A CA 1.574 53.646 52.037 0.058 0.000 0.628 430 A CB -0.555 18.487 19.000 0.070 0.000 0.814 430 A HN 0.326 nan 8.150 nan 0.000 0.444 431 D N -1.267 119.148 120.400 0.025 0.000 2.371 431 D HA 0.226 4.866 4.640 -0.000 0.000 0.221 431 D C 1.368 177.672 176.300 0.007 0.000 0.986 431 D CA 1.243 55.251 54.000 0.014 0.000 0.899 431 D CB -0.076 40.731 40.800 0.012 0.000 0.902 431 D HN 0.646 nan 8.370 nan 0.000 0.530 432 G N 0.503 109.306 108.800 0.005 0.000 2.144 432 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.218 432 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.218 432 G C 0.116 175.013 174.900 -0.006 0.000 0.988 432 G CA -0.358 44.740 45.100 -0.004 0.000 0.659 432 G HN 0.316 nan 8.290 nan 0.000 0.522 433 K N 1.139 121.538 120.400 -0.002 0.000 2.248 433 K HA 0.508 4.828 4.320 -0.000 0.000 0.281 433 K C 0.883 177.484 176.600 0.001 0.000 1.054 433 K CA -0.588 55.702 56.287 0.005 0.000 0.903 433 K CB 1.132 33.637 32.500 0.009 0.000 1.077 433 K HN 0.295 nan 8.250 nan 0.000 0.474 434 R N 2.305 122.814 120.500 0.015 0.000 2.649 434 R HA 0.210 4.550 4.340 -0.000 0.000 0.270 434 R C -2.097 174.267 176.300 0.106 0.000 1.105 434 R CA -1.691 54.421 56.100 0.020 0.000 1.193 434 R CB -0.260 30.056 30.300 0.028 0.000 1.120 434 R HN 0.377 nan 8.270 nan 0.000 0.561 435 P HA 0.050 nan 4.420 nan 0.000 0.267 435 P C -0.443 176.977 177.300 0.201 0.000 1.200 435 P CA 0.190 63.397 63.100 0.178 0.000 0.772 435 P CB 0.786 32.627 31.700 0.236 0.000 0.855 436 G N -0.019 108.848 108.800 0.111 0.000 3.166 436 G HA2 0.369 4.329 3.960 -0.000 0.000 0.267 436 G HA3 0.369 4.329 3.960 -0.000 0.000 0.267 436 G C -1.180 173.800 174.900 0.134 0.000 1.256 436 G CA -0.091 45.071 45.100 0.104 0.000 0.859 436 G HN 0.466 nan 8.290 nan 0.000 0.590 437 Y N -0.370 119.918 120.300 -0.021 0.000 3.087 437 Y HA 0.454 5.004 4.550 -0.000 0.000 0.227 437 Y C 0.670 176.564 175.900 -0.010 0.000 1.015 437 Y CA 0.202 58.286 58.100 -0.026 0.000 1.399 437 Y CB 0.321 38.762 38.460 -0.033 0.000 1.483 437 Y HN 0.244 nan 8.280 nan 0.000 0.420 438 K N 2.213 122.560 120.400 -0.089 0.000 2.297 438 K HA 0.398 4.718 4.320 -0.000 0.000 0.286 438 K C -0.678 175.862 176.600 -0.099 0.000 1.053 438 K CA -0.429 55.748 56.287 -0.183 0.000 0.940 438 K CB 1.761 34.240 32.500 -0.036 0.000 1.019 438 K HN -0.033 nan 8.250 nan 0.000 0.475 439 V N 3.301 123.144 119.914 -0.120 0.000 2.585 439 V HA -0.042 4.078 4.120 -0.000 0.000 0.296 439 V C 0.682 176.747 176.094 -0.049 0.000 1.035 439 V CA 0.092 62.352 62.300 -0.067 0.000 1.084 439 V CB 0.571 32.358 31.823 -0.059 0.000 0.953 439 V HN 0.735 nan 8.190 nan 0.000 0.483 440 E N 3.947 124.124 120.200 -0.038 0.000 2.316 440 E HA 0.211 4.561 4.350 -0.000 0.000 0.275 440 E C -0.178 176.384 176.600 -0.063 0.000 1.029 440 E CA -0.276 56.099 56.400 -0.041 0.000 0.871 440 E CB 0.757 30.438 29.700 -0.031 0.000 1.022 440 E HN 0.687 nan 8.360 nan 0.000 0.418 441 Q N 2.562 122.317 119.800 -0.075 0.000 2.166 441 Q HA 0.518 4.858 4.340 -0.000 0.000 0.226 441 Q C 0.080 175.994 176.000 -0.143 0.000 0.989 441 Q CA -0.663 55.072 55.803 -0.115 0.000 0.966 441 Q CB 1.111 29.789 28.738 -0.101 0.000 1.173 441 Q HN 0.565 nan 8.270 nan 0.000 0.509 442 I N 0.000 120.445 120.570 -0.209 0.000 2.984 442 I HA 0.000 4.170 4.170 -0.000 0.000 0.288 442 I CA 0.000 61.166 61.300 -0.223 0.000 1.566 442 I CB 0.000 37.915 38.000 -0.142 0.000 1.214 442 I HN 0.000 nan 8.210 nan 0.000 0.494