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 2no3_1_B DATA FIRST_RESID 7 DATA SEQUENCE DNNFYSVEIG DSTFTVLKRY QNLKPIGSGA QGIVCAAYDA ILERNVAIKK DATA SEQUENCE LSRPFQNQTH AKRAYRELVL MKCVNHKNII GLLNVFTPQK SLEEFQDVYI DATA SEQUENCE VMELMDANLC QVIQMELDHE RMSYLLYQML CGIKHLHSAG IIHRDLKPSN DATA SEQUENCE IVVKSDCTLK ILDFGLARTA GTSFMMEPEV VTRYYRAPEV ILGMGYKENV DATA SEQUENCE DLWSVGCIMG EMVCHKILFP GRDYIDQWNK VIEQLGTPCP EFMKKLQPTV DATA SEQUENCE RTYVENRPKY AGYSFEKLFP DVLFPADSEH NKLKASQARD LLSKMLVIDA DATA SEQUENCE SKRISVDEAL QHPYINVWYD PSEAEAPPPK IPDKQLDERE HTIEEWKELI DATA SEQUENCE YKEVMDL 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 7 D HA 0.000 nan 4.640 nan 0.000 0.175 7 D C 0.000 176.346 176.300 0.076 0.000 2.045 7 D CA 0.000 54.042 54.000 0.070 0.000 0.868 7 D CB 0.000 40.828 40.800 0.047 0.000 0.688 8 N N -0.134 118.627 118.700 0.102 0.000 2.267 8 N HA -0.012 4.729 4.740 0.001 0.000 0.269 8 N C 0.395 175.982 175.510 0.128 0.000 1.287 8 N CA -0.083 53.036 53.050 0.115 0.000 0.916 8 N CB 0.001 38.575 38.487 0.146 0.000 1.052 8 N HN -0.125 nan 8.380 nan 0.000 0.496 9 N N -1.598 117.178 118.700 0.127 0.000 2.635 9 N HA 0.032 4.773 4.740 0.001 0.000 0.191 9 N C -1.136 174.234 175.510 -0.234 0.000 1.155 9 N CA 0.772 53.784 53.050 -0.063 0.000 0.927 9 N CB -0.333 38.053 38.487 -0.168 0.000 0.976 9 N HN 0.269 nan 8.380 nan 0.000 0.448 10 F N -0.264 119.687 119.950 0.002 0.000 2.563 10 F HA 0.420 4.948 4.527 0.001 0.000 0.316 10 F C -0.394 175.485 175.800 0.133 0.000 1.076 10 F CA -1.630 56.382 58.000 0.020 0.000 0.921 10 F CB 1.241 40.208 39.000 -0.054 0.000 1.209 10 F HN -0.079 nan 8.300 nan 0.000 0.462 11 Y N -0.818 119.580 120.300 0.163 0.000 2.477 11 Y HA 0.702 5.252 4.550 0.001 0.000 0.347 11 Y C -0.879 175.114 175.900 0.155 0.000 0.981 11 Y CA -1.580 56.594 58.100 0.123 0.000 1.033 11 Y CB 1.683 40.185 38.460 0.069 0.000 1.245 11 Y HN 0.448 nan 8.280 nan 0.000 0.455 12 S N 3.680 119.449 115.700 0.116 0.000 2.474 12 S HA 0.505 4.975 4.470 0.001 0.000 0.320 12 S C -1.295 173.359 174.600 0.091 0.000 1.067 12 S CA -0.614 57.613 58.200 0.044 0.000 1.127 12 S CB 0.069 63.326 63.200 0.094 0.000 0.971 12 S HN 0.825 nan 8.310 nan 0.000 0.472 13 V N 4.810 124.737 119.914 0.022 0.000 2.539 13 V HA 0.518 4.638 4.120 0.001 0.000 0.292 13 V C -0.000 176.150 176.094 0.094 0.000 1.045 13 V CA -0.713 61.650 62.300 0.106 0.000 0.945 13 V CB 1.561 33.462 31.823 0.129 0.000 0.993 13 V HN 0.927 nan 8.190 nan 0.000 0.464 14 E N 5.760 126.013 120.200 0.088 0.000 2.152 14 E HA 0.284 4.634 4.350 0.001 0.000 0.285 14 E C -0.557 176.070 176.600 0.045 0.000 1.043 14 E CA -0.506 55.944 56.400 0.085 0.000 0.839 14 E CB 0.768 30.512 29.700 0.073 0.000 1.069 14 E HN 0.604 nan 8.360 nan 0.000 0.399 15 I N 5.922 126.522 120.570 0.050 0.000 2.448 15 I HA 0.272 4.442 4.170 0.001 0.000 0.284 15 I C 0.971 177.107 176.117 0.033 0.000 1.135 15 I CA 0.334 61.611 61.300 -0.040 0.000 1.207 15 I CB -0.642 37.184 38.000 -0.291 0.000 1.548 15 I HN 0.912 nan 8.210 nan 0.000 0.543 16 G N 4.573 113.392 108.800 0.032 0.000 3.076 16 G HA2 -0.229 3.731 3.960 0.001 0.000 0.256 16 G HA3 -0.229 3.731 3.960 0.001 0.000 0.256 16 G C 0.522 175.451 174.900 0.048 0.000 1.589 16 G CA 0.173 45.295 45.100 0.038 0.000 1.044 16 G HN 0.328 nan 8.290 nan 0.000 0.563 17 D N 0.994 121.428 120.400 0.056 0.000 2.431 17 D HA 0.221 4.861 4.640 0.001 0.000 0.227 17 D C 2.001 178.337 176.300 0.060 0.000 1.030 17 D CA 1.176 55.205 54.000 0.048 0.000 0.897 17 D CB 0.371 41.192 40.800 0.035 0.000 1.058 17 D HN 0.682 nan 8.370 nan 0.000 0.500 18 S N -0.113 115.639 115.700 0.086 0.000 2.632 18 S HA 0.405 4.875 4.470 0.001 0.000 0.267 18 S C 0.233 174.919 174.600 0.143 0.000 1.193 18 S CA -0.202 58.053 58.200 0.092 0.000 1.003 18 S CB 1.251 64.508 63.200 0.094 0.000 1.073 18 S HN -0.077 nan 8.310 nan 0.000 0.553 19 T N 1.577 116.220 114.554 0.148 0.000 3.135 19 T HA 0.383 4.733 4.350 0.001 0.000 0.357 19 T C -0.896 173.957 174.700 0.255 0.000 1.112 19 T CA -0.323 61.889 62.100 0.188 0.000 1.290 19 T CB -0.388 68.546 68.868 0.110 0.000 1.018 19 T HN 0.406 nan 8.240 nan 0.000 0.527 20 F N 1.962 121.968 119.950 0.094 0.000 2.545 20 F HA 0.333 4.860 4.527 0.001 0.000 0.348 20 F C 1.515 177.388 175.800 0.122 0.000 1.163 20 F CA 0.150 58.267 58.000 0.195 0.000 1.331 20 F CB 0.615 39.716 39.000 0.167 0.000 1.138 20 F HN 0.298 nan 8.300 nan 0.000 0.602 21 T N 1.597 116.344 114.554 0.321 0.000 3.954 21 T HA 0.296 4.646 4.350 0.001 0.000 0.226 21 T C -0.545 174.187 174.700 0.054 0.000 1.049 21 T CA -0.540 61.624 62.100 0.108 0.000 1.481 21 T CB -0.353 68.583 68.868 0.113 0.000 0.853 21 T HN 0.465 nan 8.240 nan 0.000 0.632 22 V N -0.086 119.817 119.914 -0.018 0.000 3.133 22 V HA 0.587 4.707 4.120 0.001 0.000 0.305 22 V C 0.903 176.894 176.094 -0.171 0.000 1.084 22 V CA -0.948 61.381 62.300 0.047 0.000 1.089 22 V CB 0.445 32.437 31.823 0.282 0.000 1.073 22 V HN 0.482 nan 8.190 nan 0.000 0.477 23 L N 1.931 122.859 121.223 -0.492 0.000 2.456 23 L HA 0.241 4.581 4.340 0.001 0.000 0.266 23 L C 2.295 179.075 176.870 -0.150 0.000 1.258 23 L CA 0.828 55.218 54.840 -0.750 0.000 0.823 23 L CB -0.207 41.334 42.059 -0.862 0.000 1.100 23 L HN 1.013 nan 8.230 nan 0.000 0.531 24 K N 1.014 121.295 120.400 -0.197 0.000 2.103 24 K HA -0.095 4.225 4.320 0.001 0.000 0.204 24 K C 1.831 178.351 176.600 -0.134 0.000 1.052 24 K CA 1.391 57.651 56.287 -0.044 0.000 0.945 24 K CB -0.894 31.526 32.500 -0.134 0.000 0.722 24 K HN 0.762 nan 8.250 nan 0.000 0.443 25 R N -0.697 119.592 120.500 -0.352 0.000 2.316 25 R HA -0.123 4.218 4.340 0.001 0.000 0.232 25 R C -0.346 175.666 176.300 -0.481 0.000 1.137 25 R CA 0.802 56.616 56.100 -0.478 0.000 1.012 25 R CB -0.749 29.156 30.300 -0.659 0.000 0.859 25 R HN 0.501 nan 8.270 nan 0.000 0.474 26 Y N 0.724 121.054 120.300 0.051 0.000 2.335 26 Y HA 0.432 4.982 4.550 0.001 0.000 0.338 26 Y C 0.171 176.201 175.900 0.217 0.000 0.977 26 Y CA -1.262 56.902 58.100 0.106 0.000 1.114 26 Y CB 1.556 40.097 38.460 0.135 0.000 1.182 26 Y HN -0.050 nan 8.280 nan 0.000 0.463 27 Q N 1.321 121.315 119.800 0.323 0.000 2.528 27 Q HA 0.467 4.808 4.340 0.001 0.000 0.289 27 Q C -1.000 175.142 176.000 0.236 0.000 1.091 27 Q CA -1.205 54.763 55.803 0.274 0.000 0.797 27 Q CB 1.358 30.178 28.738 0.138 0.000 1.466 27 Q HN 0.647 nan 8.270 nan 0.000 0.436 28 N N 0.313 119.120 118.700 0.179 0.000 2.699 28 N HA -0.166 4.575 4.740 0.001 0.000 0.257 28 N C -1.080 174.488 175.510 0.096 0.000 1.077 28 N CA 0.318 53.438 53.050 0.117 0.000 0.702 28 N CB -0.944 37.600 38.487 0.094 0.000 0.886 28 N HN 0.419 nan 8.380 nan 0.000 0.549 29 L N 0.544 121.815 121.223 0.080 0.000 2.418 29 L HA 0.415 4.755 4.340 0.001 0.000 0.265 29 L C 0.726 177.562 176.870 -0.057 0.000 1.143 29 L CA 0.065 54.895 54.840 -0.018 0.000 0.809 29 L CB 0.982 42.974 42.059 -0.112 0.000 1.124 29 L HN 0.305 nan 8.230 nan 0.000 0.456 30 K N 1.749 122.091 120.400 -0.098 0.000 2.570 30 K HA 0.437 4.757 4.320 0.001 0.000 0.256 30 K C -3.031 173.509 176.600 -0.101 0.000 0.939 30 K CA -1.583 54.655 56.287 -0.082 0.000 0.833 30 K CB 2.029 34.509 32.500 -0.033 0.000 1.318 30 K HN 0.158 nan 8.250 nan 0.000 0.433 31 P HA -0.036 nan 4.420 nan 0.000 0.265 31 P C 0.075 177.351 177.300 -0.039 0.000 1.187 31 P CA -0.071 62.987 63.100 -0.069 0.000 0.766 31 P CB 0.808 32.484 31.700 -0.040 0.000 0.820 32 I N -0.047 120.507 120.570 -0.027 0.000 4.827 32 I HA 0.414 4.585 4.170 0.001 0.000 0.362 32 I C -0.122 175.989 176.117 -0.009 0.000 1.237 32 I CA 0.093 61.383 61.300 -0.016 0.000 1.366 32 I CB 0.780 38.770 38.000 -0.017 0.000 1.742 32 I HN 0.518 nan 8.210 nan 0.000 0.588 33 G N 1.120 109.919 108.800 -0.002 0.000 2.355 33 G HA2 0.397 4.358 3.960 0.001 0.000 0.296 33 G HA3 0.397 4.358 3.960 0.001 0.000 0.296 33 G C -0.886 174.022 174.900 0.015 0.000 1.507 33 G CA 0.194 45.295 45.100 0.001 0.000 0.823 33 G HN 0.535 nan 8.290 nan 0.000 0.569 34 S N -0.733 114.972 115.700 0.008 0.000 2.754 34 S HA 0.459 4.930 4.470 0.001 0.000 0.145 34 S C 1.142 175.741 174.600 -0.002 0.000 0.915 34 S CA 0.710 58.917 58.200 0.012 0.000 0.981 34 S CB 0.172 63.390 63.200 0.029 0.000 1.697 34 S HN 2.090 nan 8.310 nan 0.000 0.543 35 G N 2.539 111.331 108.800 -0.014 0.000 2.941 35 G HA2 0.205 4.165 3.960 0.001 0.000 0.206 35 G HA3 0.205 4.165 3.960 0.001 0.000 0.206 35 G C 1.067 175.956 174.900 -0.019 0.000 1.403 35 G CA 1.680 46.769 45.100 -0.017 0.000 0.805 35 G HN 1.593 nan 8.290 nan 0.000 0.689 36 A N -2.620 120.178 122.820 -0.036 0.000 1.857 36 A HA 0.344 4.665 4.320 0.001 0.000 0.198 36 A C 1.664 179.211 177.584 -0.061 0.000 1.775 36 A CA 0.884 52.898 52.037 -0.039 0.000 1.281 36 A CB 0.007 18.982 19.000 -0.043 0.000 1.355 36 A HN 0.368 nan 8.150 nan 0.000 0.417 37 Q N 0.931 120.679 119.800 -0.086 0.000 2.336 37 Q HA 0.372 4.712 4.340 0.001 0.000 0.231 37 Q C 0.724 176.661 176.000 -0.104 0.000 0.900 37 Q CA 0.509 56.245 55.803 -0.111 0.000 0.966 37 Q CB -0.832 27.831 28.738 -0.125 0.000 1.219 37 Q HN 0.975 nan 8.270 nan 0.000 0.412 38 G N -0.044 108.705 108.800 -0.085 0.000 2.451 38 G HA2 -0.189 3.772 3.960 0.001 0.000 0.208 38 G HA3 -0.189 3.772 3.960 0.001 0.000 0.208 38 G C -0.735 174.128 174.900 -0.063 0.000 1.248 38 G CA -0.416 44.620 45.100 -0.105 0.000 0.989 38 G HN 0.323 nan 8.290 nan 0.000 0.559 39 I N -0.492 120.045 120.570 -0.055 0.000 2.934 39 I HA 0.659 4.829 4.170 0.001 0.000 0.306 39 I C -0.272 175.928 176.117 0.137 0.000 1.110 39 I CA -1.262 60.077 61.300 0.065 0.000 1.019 39 I CB 2.227 40.335 38.000 0.180 0.000 1.227 39 I HN 0.444 nan 8.210 nan 0.000 0.434 40 V N 2.731 122.729 119.914 0.138 0.000 2.588 40 V HA 0.437 4.557 4.120 0.001 0.000 0.304 40 V C -0.602 175.537 176.094 0.075 0.000 1.042 40 V CA -0.440 61.931 62.300 0.118 0.000 0.877 40 V CB 1.992 33.833 31.823 0.030 0.000 0.996 40 V HN 0.839 nan 8.190 nan 0.000 0.425 41 C N 3.089 122.420 119.300 0.051 0.000 2.667 41 C HA 0.933 5.393 4.460 0.001 0.000 0.323 41 C C 0.554 175.520 174.990 -0.039 0.000 1.214 41 C CA -0.630 58.343 59.018 -0.077 0.000 1.721 41 C CB 1.599 29.163 27.740 -0.293 0.000 2.275 41 C HN 1.014 nan 8.230 nan 0.000 0.491 42 A N 1.339 124.136 122.820 -0.039 0.000 2.325 42 A HA 0.987 5.307 4.320 0.001 0.000 0.333 42 A C -0.311 177.285 177.584 0.020 0.000 1.155 42 A CA 0.133 52.168 52.037 -0.003 0.000 0.814 42 A CB 0.949 19.952 19.000 0.005 0.000 1.206 42 A HN 1.739 nan 8.150 nan 0.000 0.482 43 A N 0.149 123.007 122.820 0.063 0.000 2.511 43 A HA 0.595 4.915 4.320 0.001 0.000 0.293 43 A C -1.988 175.722 177.584 0.210 0.000 1.098 43 A CA -0.456 51.660 52.037 0.132 0.000 0.643 43 A CB 0.316 19.400 19.000 0.140 0.000 1.302 43 A HN 1.610 nan 8.150 nan 0.000 0.446 44 Y N 1.208 121.584 120.300 0.128 0.000 2.331 44 Y HA 0.548 5.098 4.550 0.001 0.000 0.338 44 Y C -0.486 175.517 175.900 0.173 0.000 0.976 44 Y CA -0.859 57.312 58.100 0.117 0.000 1.137 44 Y CB 1.285 39.785 38.460 0.068 0.000 1.172 44 Y HN 0.642 nan 8.280 nan 0.000 0.478 45 D N 5.251 125.400 120.400 -0.418 0.000 2.441 45 D HA 0.302 4.942 4.640 0.001 0.000 0.221 45 D C 0.862 176.728 176.300 -0.723 0.000 1.156 45 D CA 0.435 54.238 54.000 -0.329 0.000 0.896 45 D CB 1.066 41.830 40.800 -0.061 0.000 1.028 45 D HN 0.790 nan 8.370 nan 0.000 0.509 46 A N 4.821 127.306 122.820 -0.558 0.000 1.903 46 A HA -0.224 4.096 4.320 0.001 0.000 0.219 46 A C 2.214 179.656 177.584 -0.236 0.000 1.191 46 A CA 1.217 53.057 52.037 -0.329 0.000 0.638 46 A CB -0.579 18.364 19.000 -0.096 0.000 0.823 46 A HN 0.733 nan 8.150 nan 0.000 0.451 47 I N -0.997 119.430 120.570 -0.239 0.000 2.039 47 I HA -0.281 3.889 4.170 0.001 0.000 0.233 47 I C 2.123 178.160 176.117 -0.134 0.000 1.040 47 I CA 1.545 62.745 61.300 -0.168 0.000 1.308 47 I CB -0.520 37.371 38.000 -0.183 0.000 1.035 47 I HN 0.231 nan 8.210 nan 0.000 0.392 48 L N 0.356 121.493 121.223 -0.143 0.000 2.465 48 L HA -0.053 4.288 4.340 0.001 0.000 0.224 48 L C 0.473 177.285 176.870 -0.096 0.000 1.145 48 L CA 0.907 55.693 54.840 -0.091 0.000 0.834 48 L CB -0.977 41.047 42.059 -0.058 0.000 0.944 48 L HN 0.241 nan 8.230 nan 0.000 0.451 49 E N 0.353 120.435 120.200 -0.197 0.000 2.252 49 E HA -0.251 4.100 4.350 0.001 0.000 0.199 49 E C 0.365 176.943 176.600 -0.037 0.000 1.352 49 E CA 0.370 56.681 56.400 -0.148 0.000 0.682 49 E CB -0.890 28.855 29.700 0.075 0.000 1.142 49 E HN 0.463 nan 8.360 nan 0.000 0.367 50 R N 0.522 120.914 120.500 -0.181 0.000 2.712 50 R HA 0.263 4.604 4.340 0.001 0.000 0.272 50 R C -1.282 175.032 176.300 0.024 0.000 1.032 50 R CA -0.809 55.305 56.100 0.023 0.000 0.874 50 R CB 1.135 31.448 30.300 0.022 0.000 1.256 50 R HN 0.029 nan 8.270 nan 0.000 0.468 51 N N 1.060 119.832 118.700 0.120 0.000 2.530 51 N HA 0.286 5.027 4.740 0.001 0.000 0.273 51 N C -0.504 175.051 175.510 0.075 0.000 1.173 51 N CA 0.091 53.215 53.050 0.124 0.000 0.967 51 N CB 1.699 40.257 38.487 0.119 0.000 1.109 51 N HN 0.403 nan 8.380 nan 0.000 0.453 52 V N -1.995 117.962 119.914 0.072 0.000 3.159 52 V HA 0.907 5.027 4.120 0.001 0.000 0.308 52 V C -0.729 175.364 176.094 -0.002 0.000 1.190 52 V CA -1.202 61.120 62.300 0.036 0.000 1.037 52 V CB 1.520 33.372 31.823 0.048 0.000 1.060 52 V HN 0.651 nan 8.190 nan 0.000 0.437 53 A N 2.992 125.799 122.820 -0.022 0.000 2.304 53 A HA 0.916 5.237 4.320 0.001 0.000 0.323 53 A C -0.676 176.874 177.584 -0.057 0.000 1.195 53 A CA -0.653 51.368 52.037 -0.027 0.000 0.826 53 A CB 0.693 19.685 19.000 -0.014 0.000 1.184 53 A HN 0.940 nan 8.150 nan 0.000 0.496 54 I N 1.802 122.357 120.570 -0.025 0.000 2.466 54 I HA 0.367 4.537 4.170 0.001 0.000 0.289 54 I C -0.154 176.026 176.117 0.106 0.000 1.026 54 I CA -0.402 60.904 61.300 0.010 0.000 1.078 54 I CB 2.108 40.155 38.000 0.078 0.000 1.249 54 I HN 0.715 nan 8.210 nan 0.000 0.429 55 K N 6.383 126.781 120.400 -0.002 0.000 2.221 55 K HA 0.379 4.700 4.320 0.001 0.000 0.258 55 K C -0.616 175.807 176.600 -0.295 0.000 0.944 55 K CA -0.803 55.443 56.287 -0.068 0.000 0.823 55 K CB 1.449 33.893 32.500 -0.094 0.000 1.113 55 K HN 0.403 nan 8.250 nan 0.000 0.431 56 K N 6.146 126.281 120.400 -0.442 0.000 2.290 56 K HA 0.160 4.481 4.320 0.001 0.000 0.250 56 K C -0.840 175.445 176.600 -0.524 0.000 1.092 56 K CA -0.673 55.120 56.287 -0.825 0.000 1.006 56 K CB 0.272 32.072 32.500 -1.167 0.000 1.549 56 K HN 0.479 nan 8.250 nan 0.000 0.436 57 L N 3.592 124.549 121.223 -0.444 0.000 2.700 57 L HA -0.051 4.289 4.340 0.001 0.000 0.272 57 L C 0.344 177.025 176.870 -0.316 0.000 1.176 57 L CA 0.766 55.427 54.840 -0.298 0.000 0.961 57 L CB 0.106 42.022 42.059 -0.239 0.000 1.249 57 L HN 0.522 nan 8.230 nan 0.000 0.487 58 S N 4.603 120.166 115.700 -0.229 0.000 2.480 58 S HA 0.594 5.065 4.470 0.001 0.000 0.286 58 S C 0.312 174.839 174.600 -0.123 0.000 1.180 58 S CA -0.968 57.112 58.200 -0.199 0.000 1.075 58 S CB 1.525 64.637 63.200 -0.146 0.000 0.996 58 S HN 0.538 nan 8.310 nan 0.000 0.487 59 R N 0.944 121.330 120.500 -0.190 0.000 3.261 59 R HA -0.074 4.267 4.340 0.001 0.000 0.257 59 R C -2.314 173.903 176.300 -0.139 0.000 1.014 59 R CA 0.628 56.618 56.100 -0.182 0.000 0.681 59 R CB -2.293 27.899 30.300 -0.180 0.000 1.155 59 R HN 0.718 nan 8.270 nan 0.000 0.424 60 P HA -0.020 nan 4.420 nan 0.000 0.249 60 P C 0.655 177.985 177.300 0.051 0.000 1.241 60 P CA 0.742 63.721 63.100 -0.203 0.000 0.781 60 P CB -0.077 31.389 31.700 -0.390 0.000 1.088 61 F N -1.293 118.603 119.950 -0.090 0.000 2.577 61 F HA 0.080 4.607 4.527 0.001 0.000 0.282 61 F C 2.598 178.350 175.800 -0.080 0.000 0.957 61 F CA -0.458 57.504 58.000 -0.064 0.000 1.168 61 F CB -0.221 38.724 39.000 -0.092 0.000 0.958 61 F HN -0.147 nan 8.300 nan 0.000 0.702 62 Q N 1.947 121.763 119.800 0.027 0.000 2.301 62 Q HA -0.345 3.995 4.340 0.001 0.000 0.255 62 Q C -0.163 175.799 176.000 -0.062 0.000 1.077 62 Q CA 2.720 58.443 55.803 -0.133 0.000 0.954 62 Q CB -0.630 27.813 28.738 -0.491 0.000 0.981 62 Q HN 0.591 nan 8.270 nan 0.000 0.510 63 N N -1.925 116.733 118.700 -0.070 0.000 2.906 63 N HA 0.145 4.886 4.740 0.001 0.000 0.327 63 N C -0.145 175.440 175.510 0.125 0.000 1.344 63 N CA -0.292 52.784 53.050 0.043 0.000 0.823 63 N CB 0.272 38.791 38.487 0.055 0.000 1.351 63 N HN 0.250 nan 8.380 nan 0.000 0.604 64 Q N -1.309 118.580 119.800 0.150 0.000 2.482 64 Q HA 0.119 4.459 4.340 0.001 0.000 0.209 64 Q C 0.224 176.314 176.000 0.150 0.000 0.961 64 Q CA 0.712 56.647 55.803 0.220 0.000 0.945 64 Q CB -0.108 28.773 28.738 0.237 0.000 1.012 64 Q HN 0.670 nan 8.270 nan 0.000 0.515 65 T N -1.145 113.485 114.554 0.126 0.000 3.045 65 T HA -0.005 4.346 4.350 0.001 0.000 0.239 65 T C 1.050 175.752 174.700 0.003 0.000 1.008 65 T CA 0.446 62.584 62.100 0.064 0.000 1.143 65 T CB -0.061 68.859 68.868 0.086 0.000 0.894 65 T HN 0.285 nan 8.240 nan 0.000 0.451 66 H N 2.019 121.047 119.070 -0.070 0.000 2.293 66 H HA 0.172 4.729 4.556 0.001 0.000 0.300 66 H C 2.480 177.727 175.328 -0.136 0.000 1.082 66 H CA 1.530 57.525 56.048 -0.089 0.000 1.308 66 H CB -0.677 29.049 29.762 -0.061 0.000 1.375 66 H HN 0.371 nan 8.280 nan 0.000 0.495 67 A N 0.920 123.742 122.820 0.005 0.000 1.940 67 A HA -0.242 4.078 4.320 0.001 0.000 0.219 67 A C 2.211 179.462 177.584 -0.555 0.000 1.176 67 A CA 1.911 53.866 52.037 -0.136 0.000 0.631 67 A CB -0.498 18.485 19.000 -0.029 0.000 0.814 67 A HN 0.431 nan 8.150 nan 0.000 0.446 68 K N -0.678 119.298 120.400 -0.708 0.000 1.963 68 K HA -0.183 4.138 4.320 0.001 0.000 0.216 68 K C 2.515 178.881 176.600 -0.389 0.000 1.045 68 K CA 1.870 57.650 56.287 -0.845 0.000 0.954 68 K CB -0.470 31.792 32.500 -0.396 0.000 0.732 68 K HN 0.297 nan 8.250 nan 0.000 0.442 69 R N 0.531 120.894 120.500 -0.229 0.000 2.134 69 R HA -0.228 4.113 4.340 0.001 0.000 0.248 69 R C 2.402 178.622 176.300 -0.134 0.000 1.143 69 R CA 2.505 58.513 56.100 -0.155 0.000 0.957 69 R CB -1.974 28.226 30.300 -0.166 0.000 0.867 69 R HN 0.623 nan 8.270 nan 0.000 0.441 70 A N -0.337 122.401 122.820 -0.137 0.000 1.836 70 A HA -0.138 4.183 4.320 0.001 0.000 0.215 70 A C 2.223 179.768 177.584 -0.065 0.000 1.214 70 A CA 1.945 53.929 52.037 -0.088 0.000 0.636 70 A CB -1.239 17.728 19.000 -0.055 0.000 0.847 70 A HN 0.870 nan 8.150 nan 0.000 0.451 71 Y N 0.850 121.042 120.300 -0.179 0.000 2.029 71 Y HA -0.408 4.142 4.550 0.001 0.000 0.269 71 Y C 2.541 178.385 175.900 -0.093 0.000 1.201 71 Y CA 3.177 61.202 58.100 -0.125 0.000 1.115 71 Y CB -0.633 37.675 38.460 -0.252 0.000 0.945 71 Y HN 0.428 nan 8.280 nan 0.000 0.497 72 R N 0.383 120.840 120.500 -0.071 0.000 2.159 72 R HA -0.295 4.045 4.340 0.001 0.000 0.252 72 R C 2.404 178.634 176.300 -0.116 0.000 1.144 72 R CA 2.442 58.498 56.100 -0.072 0.000 0.961 72 R CB -0.673 29.610 30.300 -0.029 0.000 0.877 72 R HN 0.677 nan 8.270 nan 0.000 0.444 73 E N -0.330 119.821 120.200 -0.082 0.000 2.046 73 E HA -0.166 4.184 4.350 0.001 0.000 0.190 73 E C 1.953 178.509 176.600 -0.073 0.000 0.982 73 E CA 0.859 57.249 56.400 -0.016 0.000 0.800 73 E CB -0.074 29.639 29.700 0.021 0.000 0.756 73 E HN 0.315 nan 8.360 nan 0.000 0.449 74 L N 1.312 122.462 121.223 -0.122 0.000 2.034 74 L HA -0.226 4.114 4.340 0.001 0.000 0.217 74 L C 2.403 179.165 176.870 -0.180 0.000 1.077 74 L CA 1.556 56.314 54.840 -0.136 0.000 0.769 74 L CB -1.152 40.814 42.059 -0.154 0.000 0.890 74 L HN 0.109 nan 8.230 nan 0.000 0.435 75 V N -0.296 119.440 119.914 -0.297 0.000 2.216 75 V HA -0.322 3.798 4.120 0.001 0.000 0.243 75 V C 2.661 178.653 176.094 -0.169 0.000 1.044 75 V CA 1.829 63.967 62.300 -0.269 0.000 0.995 75 V CB -0.748 30.866 31.823 -0.350 0.000 0.633 75 V HN 0.362 nan 8.190 nan 0.000 0.446 76 L N -0.782 120.336 121.223 -0.174 0.000 2.064 76 L HA -0.286 4.055 4.340 0.001 0.000 0.216 76 L C 2.752 179.481 176.870 -0.235 0.000 1.077 76 L CA 1.633 56.338 54.840 -0.225 0.000 0.766 76 L CB -0.616 41.255 42.059 -0.312 0.000 0.890 76 L HN 0.322 nan 8.230 nan 0.000 0.435 77 M N -0.429 119.083 119.600 -0.146 0.000 2.082 77 M HA -0.265 4.215 4.480 0.001 0.000 0.258 77 M C 2.367 178.630 176.300 -0.061 0.000 1.071 77 M CA 1.918 57.177 55.300 -0.069 0.000 1.103 77 M CB -1.014 31.589 32.600 0.006 0.000 1.307 77 M HN 0.099 nan 8.290 nan 0.000 0.409 78 K N 0.286 120.652 120.400 -0.057 0.000 1.991 78 K HA -0.108 4.212 4.320 0.001 0.000 0.212 78 K C 2.089 178.667 176.600 -0.038 0.000 1.049 78 K CA 2.049 58.314 56.287 -0.037 0.000 0.932 78 K CB -0.793 31.684 32.500 -0.038 0.000 0.717 78 K HN 0.413 nan 8.250 nan 0.000 0.441 79 C N -0.103 119.161 119.300 -0.059 0.000 2.367 79 C HA -0.099 4.362 4.460 0.001 0.000 0.276 79 C C 1.226 176.200 174.990 -0.026 0.000 1.195 79 C CA 0.373 59.362 59.018 -0.049 0.000 1.756 79 C CB -0.753 26.941 27.740 -0.076 0.000 2.046 79 C HN 0.237 nan 8.230 nan 0.000 0.453 80 V N 2.075 121.955 119.914 -0.055 0.000 2.775 80 V HA 0.289 4.410 4.120 0.001 0.000 0.299 80 V C -0.188 175.931 176.094 0.041 0.000 1.062 80 V CA 0.321 62.634 62.300 0.021 0.000 1.063 80 V CB 1.146 32.926 31.823 -0.070 0.000 0.994 80 V HN 0.657 nan 8.190 nan 0.000 0.483 81 N N 2.312 121.068 118.700 0.093 0.000 2.572 81 N HA 0.389 5.130 4.740 0.001 0.000 0.287 81 N C -1.282 174.203 175.510 -0.042 0.000 1.136 81 N CA -0.475 52.589 53.050 0.024 0.000 0.900 81 N CB 0.871 39.371 38.487 0.022 0.000 1.484 81 N HN 0.856 nan 8.380 nan 0.000 0.526 82 H N 2.731 121.681 119.070 -0.200 0.000 3.139 82 H HA 0.190 4.746 4.556 0.001 0.000 0.325 82 H C -0.075 175.152 175.328 -0.168 0.000 1.146 82 H CA -0.350 55.521 56.048 -0.296 0.000 1.351 82 H CB 1.280 30.635 29.762 -0.678 0.000 2.005 82 H HN 0.543 nan 8.280 nan 0.000 0.517 83 K N 2.264 122.366 120.400 -0.496 0.000 2.117 83 K HA -0.252 4.068 4.320 0.001 0.000 0.215 83 K C 0.542 177.144 176.600 0.004 0.000 1.053 83 K CA 2.526 58.662 56.287 -0.252 0.000 0.935 83 K CB -0.073 32.210 32.500 -0.362 0.000 0.719 83 K HN 0.511 nan 8.250 nan 0.000 0.460 84 N N -0.066 118.799 118.700 0.274 0.000 2.322 84 N HA 0.096 4.837 4.740 0.001 0.000 0.216 84 N C -0.875 174.698 175.510 0.105 0.000 1.144 84 N CA -0.037 53.098 53.050 0.141 0.000 0.830 84 N CB 0.490 39.028 38.487 0.084 0.000 1.034 84 N HN 0.009 nan 8.380 nan 0.000 0.484 85 I N 1.247 121.901 120.570 0.140 0.000 2.499 85 I HA 0.233 4.404 4.170 0.001 0.000 0.288 85 I C 0.006 176.202 176.117 0.132 0.000 1.048 85 I CA -1.302 60.091 61.300 0.154 0.000 1.062 85 I CB 1.346 39.437 38.000 0.151 0.000 1.238 85 I HN -0.032 nan 8.210 nan 0.000 0.426 86 I N 5.226 125.885 120.570 0.147 0.000 2.996 86 I HA 0.042 4.213 4.170 0.001 0.000 0.310 86 I C 0.938 177.118 176.117 0.104 0.000 1.225 86 I CA 0.708 62.069 61.300 0.102 0.000 1.442 86 I CB 0.226 38.281 38.000 0.091 0.000 1.334 86 I HN 0.693 nan 8.210 nan 0.000 0.550 87 G N 7.542 116.377 108.800 0.059 0.000 2.372 87 G HA2 0.440 4.400 3.960 0.001 0.000 0.283 87 G HA3 0.440 4.400 3.960 0.001 0.000 0.283 87 G C -0.891 174.034 174.900 0.042 0.000 1.177 87 G CA -0.715 44.412 45.100 0.045 0.000 0.842 87 G HN 0.639 nan 8.290 nan 0.000 0.503 88 L N 3.015 124.261 121.223 0.038 0.000 2.281 88 L HA 0.383 4.723 4.340 0.001 0.000 0.285 88 L C 0.783 177.674 176.870 0.035 0.000 1.074 88 L CA -0.229 54.632 54.840 0.034 0.000 0.817 88 L CB 0.871 42.944 42.059 0.025 0.000 1.168 88 L HN 0.541 nan 8.230 nan 0.000 0.434 89 L N 4.110 125.360 121.223 0.045 0.000 2.316 89 L HA 0.311 4.651 4.340 0.001 0.000 0.207 89 L C 0.610 177.534 176.870 0.090 0.000 1.070 89 L CA 0.102 54.980 54.840 0.064 0.000 0.820 89 L CB 0.106 42.212 42.059 0.079 0.000 0.992 89 L HN 0.749 nan 8.230 nan 0.000 0.466 90 N N -1.379 117.379 118.700 0.096 0.000 3.997 90 N HA 0.185 4.926 4.740 0.001 0.000 0.209 90 N C -1.932 173.642 175.510 0.106 0.000 1.108 90 N CA -0.239 52.893 53.050 0.136 0.000 1.020 90 N CB 2.470 41.099 38.487 0.237 0.000 1.628 90 N HN -0.194 nan 8.380 nan 0.000 0.588 91 V N 2.531 122.508 119.914 0.105 0.000 3.103 91 V HA 0.967 5.087 4.120 0.001 0.000 0.318 91 V C -1.399 174.806 176.094 0.184 0.000 1.114 91 V CA -0.110 62.204 62.300 0.025 0.000 1.020 91 V CB 1.649 33.479 31.823 0.011 0.000 1.085 91 V HN 0.693 nan 8.190 nan 0.000 0.446 92 F N 0.715 120.765 119.950 0.166 0.000 2.952 92 F HA 0.663 5.190 4.527 0.001 0.000 0.329 92 F C -1.117 174.844 175.800 0.269 0.000 1.137 92 F CA -0.314 57.792 58.000 0.177 0.000 0.889 92 F CB 1.088 40.197 39.000 0.182 0.000 1.335 92 F HN 0.675 nan 8.300 nan 0.000 0.449 93 T N 1.753 116.738 114.554 0.719 0.000 3.032 93 T HA 0.551 4.901 4.350 0.001 0.000 0.312 93 T C -2.705 172.177 174.700 0.302 0.000 1.078 93 T CA -1.464 60.992 62.100 0.593 0.000 1.028 93 T CB 2.128 71.309 68.868 0.521 0.000 1.091 93 T HN 0.667 nan 8.240 nan 0.000 0.457 94 P HA 0.140 nan 4.420 nan 0.000 0.253 94 P C -0.106 176.939 177.300 -0.427 0.000 1.281 94 P CA 0.010 62.587 63.100 -0.872 0.000 0.792 94 P CB 0.288 31.478 31.700 -0.850 0.000 1.193 95 Q N 0.289 120.071 119.800 -0.029 0.000 2.260 95 Q HA 0.220 4.560 4.340 0.001 0.000 0.238 95 Q C 1.188 177.245 176.000 0.096 0.000 0.948 95 Q CA 0.071 55.927 55.803 0.087 0.000 0.895 95 Q CB 0.915 29.842 28.738 0.314 0.000 1.218 95 Q HN -0.131 nan 8.270 nan 0.000 0.470 96 K N -0.121 120.331 120.400 0.087 0.000 2.054 96 K HA 0.136 4.457 4.320 0.001 0.000 0.207 96 K C 0.466 177.159 176.600 0.155 0.000 1.031 96 K CA 0.781 57.123 56.287 0.092 0.000 0.952 96 K CB -0.172 32.360 32.500 0.052 0.000 0.775 96 K HN 0.636 nan 8.250 nan 0.000 0.447 97 S N 0.012 115.772 115.700 0.101 0.000 2.664 97 S HA 0.288 4.758 4.470 0.001 0.000 0.304 97 S C 0.822 175.320 174.600 -0.170 0.000 1.099 97 S CA -0.826 57.400 58.200 0.042 0.000 1.003 97 S CB 1.357 64.565 63.200 0.013 0.000 1.092 97 S HN 0.100 nan 8.310 nan 0.000 0.525 98 L N 0.868 121.797 121.223 -0.489 0.000 2.079 98 L HA 0.025 4.365 4.340 0.001 0.000 0.210 98 L C 2.350 179.084 176.870 -0.225 0.000 1.081 98 L CA 2.253 56.616 54.840 -0.795 0.000 0.752 98 L CB -1.248 40.425 42.059 -0.643 0.000 0.896 98 L HN 0.977 nan 8.230 nan 0.000 0.433 99 E N -0.170 119.958 120.200 -0.120 0.000 2.204 99 E HA -0.214 4.136 4.350 0.001 0.000 0.195 99 E C 1.989 178.592 176.600 0.005 0.000 0.990 99 E CA 1.609 57.984 56.400 -0.042 0.000 0.821 99 E CB -0.004 29.680 29.700 -0.027 0.000 0.750 99 E HN 0.696 nan 8.360 nan 0.000 0.477 100 E N -0.954 119.256 120.200 0.017 0.000 2.166 100 E HA 0.009 4.359 4.350 0.001 0.000 0.192 100 E C 0.004 176.696 176.600 0.153 0.000 0.967 100 E CA -0.308 56.132 56.400 0.067 0.000 0.840 100 E CB -0.101 29.636 29.700 0.061 0.000 0.795 100 E HN 0.160 nan 8.360 nan 0.000 0.470 101 F N 2.335 122.266 119.950 -0.033 0.000 2.259 101 F HA -0.261 4.266 4.527 0.001 0.000 0.429 101 F C 0.940 176.812 175.800 0.120 0.000 0.880 101 F CA 0.832 58.876 58.000 0.074 0.000 1.107 101 F CB 0.373 39.376 39.000 0.005 0.000 0.851 101 F HN -0.033 nan 8.300 nan 0.000 0.536 102 Q N 2.723 122.460 119.800 -0.104 0.000 2.435 102 Q HA 0.294 4.634 4.340 0.001 0.000 0.180 102 Q C -0.645 174.908 176.000 -0.745 0.000 0.699 102 Q CA 0.780 56.352 55.803 -0.384 0.000 0.805 102 Q CB 0.434 29.100 28.738 -0.120 0.000 1.157 102 Q HN 0.733 nan 8.270 nan 0.000 0.570 103 D N -0.462 119.727 120.400 -0.352 0.000 2.477 103 D HA 0.439 5.079 4.640 0.001 0.000 0.234 103 D C -1.064 175.218 176.300 -0.030 0.000 1.048 103 D CA -0.514 53.275 54.000 -0.352 0.000 0.959 103 D CB 2.469 43.056 40.800 -0.355 0.000 1.408 103 D HN 0.070 nan 8.370 nan 0.000 0.496 104 V N 1.045 120.875 119.914 -0.141 0.000 2.732 104 V HA 0.354 4.475 4.120 0.001 0.000 0.310 104 V C -1.267 174.649 176.094 -0.296 0.000 1.053 104 V CA -0.461 61.844 62.300 0.008 0.000 0.957 104 V CB 1.455 33.309 31.823 0.051 0.000 1.018 104 V HN 0.415 nan 8.190 nan 0.000 0.452 105 Y N 3.799 123.900 120.300 -0.331 0.000 2.326 105 Y HA 0.588 5.138 4.550 0.001 0.000 0.329 105 Y C 0.015 175.599 175.900 -0.525 0.000 0.973 105 Y CA -0.658 57.102 58.100 -0.567 0.000 1.162 105 Y CB 1.453 39.221 38.460 -1.152 0.000 1.147 105 Y HN 0.364 nan 8.280 nan 0.000 0.456 106 I N 4.454 124.895 120.570 -0.215 0.000 2.321 106 I HA 0.402 4.573 4.170 0.001 0.000 0.291 106 I C -0.712 175.331 176.117 -0.123 0.000 0.998 106 I CA -0.988 60.228 61.300 -0.140 0.000 1.227 106 I CB 1.190 39.137 38.000 -0.089 0.000 1.368 106 I HN 0.225 nan 8.210 nan 0.000 0.466 107 V N 7.495 127.353 119.914 -0.094 0.000 2.370 107 V HA 0.449 4.570 4.120 0.001 0.000 0.283 107 V C 0.203 176.286 176.094 -0.019 0.000 1.023 107 V CA -0.401 61.852 62.300 -0.079 0.000 0.857 107 V CB 1.314 33.094 31.823 -0.071 0.000 0.985 107 V HN 0.682 nan 8.190 nan 0.000 0.443 108 M N 3.371 122.960 119.600 -0.020 0.000 2.705 108 M HA 0.542 5.022 4.480 0.001 0.000 0.311 108 M C 0.053 176.360 176.300 0.013 0.000 1.214 108 M CA -0.759 54.545 55.300 0.006 0.000 0.920 108 M CB 1.671 34.274 32.600 0.006 0.000 1.687 108 M HN 0.734 nan 8.290 nan 0.000 0.481 109 E N 1.238 121.451 120.200 0.022 0.000 2.344 109 E HA 0.303 4.653 4.350 0.001 0.000 0.270 109 E C -1.110 175.501 176.600 0.017 0.000 1.021 109 E CA -0.656 55.758 56.400 0.024 0.000 0.887 109 E CB 0.780 30.493 29.700 0.022 0.000 0.997 109 E HN 0.453 nan 8.360 nan 0.000 0.429 110 L N 4.385 125.621 121.223 0.021 0.000 2.319 110 L HA 0.201 4.541 4.340 0.001 0.000 0.280 110 L C -0.476 176.403 176.870 0.014 0.000 1.099 110 L CA 0.107 54.957 54.840 0.017 0.000 0.828 110 L CB 0.674 42.749 42.059 0.027 0.000 1.150 110 L HN 0.688 nan 8.230 nan 0.000 0.442 111 M N 2.769 122.372 119.600 0.004 0.000 2.679 111 M HA 0.262 4.742 4.480 0.001 0.000 0.287 111 M C 0.651 176.951 176.300 -0.000 0.000 1.202 111 M CA -0.408 54.892 55.300 -0.000 0.000 0.911 111 M CB 0.976 33.570 32.600 -0.010 0.000 1.556 111 M HN 0.556 nan 8.290 nan 0.000 0.511 112 D N 0.168 120.567 120.400 -0.002 0.000 2.201 112 D HA 0.293 4.933 4.640 0.001 0.000 0.209 112 D C 0.136 176.432 176.300 -0.006 0.000 0.961 112 D CA 0.800 54.799 54.000 -0.001 0.000 0.861 112 D CB 0.634 41.434 40.800 0.000 0.000 0.997 112 D HN 0.569 nan 8.370 nan 0.000 0.486 113 A N -0.288 122.524 122.820 -0.012 0.000 2.566 113 A HA 0.349 4.669 4.320 0.001 0.000 0.290 113 A C -0.648 176.921 177.584 -0.025 0.000 1.071 113 A CA -0.730 51.297 52.037 -0.016 0.000 0.658 113 A CB 0.431 19.424 19.000 -0.011 0.000 1.285 113 A HN -0.012 nan 8.150 nan 0.000 0.427 114 N N -0.691 117.992 118.700 -0.028 0.000 2.178 114 N HA 0.068 4.808 4.740 0.001 0.000 0.222 114 N C 0.574 176.061 175.510 -0.039 0.000 1.350 114 N CA -0.154 52.873 53.050 -0.039 0.000 0.874 114 N CB 0.214 38.681 38.487 -0.034 0.000 1.086 114 N HN 0.541 nan 8.380 nan 0.000 0.452 115 L N 0.744 121.937 121.223 -0.050 0.000 2.607 115 L HA 0.130 4.470 4.340 0.001 0.000 0.228 115 L C 1.384 178.237 176.870 -0.030 0.000 1.123 115 L CA 0.483 55.295 54.840 -0.046 0.000 0.890 115 L CB -0.854 41.165 42.059 -0.067 0.000 1.103 115 L HN 0.707 nan 8.230 nan 0.000 0.468 116 C N 0.013 119.297 119.300 -0.027 0.000 2.425 116 C HA -0.181 4.280 4.460 0.001 0.000 0.277 116 C C 2.640 177.629 174.990 -0.001 0.000 1.280 116 C CA 1.000 60.011 59.018 -0.012 0.000 1.744 116 C CB -0.439 27.295 27.740 -0.011 0.000 1.989 116 C HN 0.592 nan 8.230 nan 0.000 0.491 117 Q N 0.794 120.591 119.800 -0.004 0.000 1.975 117 Q HA -0.162 4.179 4.340 0.001 0.000 0.205 117 Q C 2.165 178.174 176.000 0.015 0.000 0.990 117 Q CA 2.436 58.241 55.803 0.003 0.000 0.845 117 Q CB -0.491 28.246 28.738 -0.002 0.000 0.913 117 Q HN 0.456 nan 8.270 nan 0.000 0.420 118 V N 0.965 120.885 119.914 0.011 0.000 2.311 118 V HA -0.351 3.769 4.120 0.001 0.000 0.256 118 V C 2.236 178.357 176.094 0.046 0.000 1.077 118 V CA 2.155 64.469 62.300 0.022 0.000 1.067 118 V CB -0.808 31.020 31.823 0.008 0.000 0.659 118 V HN 0.445 nan 8.190 nan 0.000 0.451 119 I N -0.432 120.158 120.570 0.033 0.000 2.335 119 I HA -0.201 3.969 4.170 0.001 0.000 0.251 119 I C 1.649 177.890 176.117 0.207 0.000 1.129 119 I CA 1.190 62.523 61.300 0.055 0.000 1.402 119 I CB -0.326 37.680 38.000 0.010 0.000 1.069 119 I HN 0.396 nan 8.210 nan 0.000 0.424 120 Q N 1.834 121.702 119.800 0.114 0.000 2.412 120 Q HA 0.287 4.627 4.340 0.001 0.000 0.298 120 Q C -0.295 175.716 176.000 0.018 0.000 0.938 120 Q CA 0.202 56.047 55.803 0.070 0.000 0.968 120 Q CB 0.031 28.779 28.738 0.016 0.000 1.187 120 Q HN 0.554 nan 8.270 nan 0.000 0.421 121 M N -2.784 116.858 119.600 0.070 0.000 2.694 121 M HA 0.439 4.919 4.480 0.001 0.000 0.276 121 M C -0.908 175.451 176.300 0.097 0.000 1.167 121 M CA -0.866 54.445 55.300 0.019 0.000 0.849 121 M CB 1.618 34.231 32.600 0.021 0.000 1.705 121 M HN -0.270 nan 8.290 nan 0.000 0.504 122 E N 1.536 121.758 120.200 0.038 0.000 2.416 122 E HA 0.667 5.018 4.350 0.001 0.000 0.254 122 E C -1.060 175.585 176.600 0.074 0.000 1.241 122 E CA -0.178 56.263 56.400 0.068 0.000 0.969 122 E CB 1.002 30.717 29.700 0.024 0.000 0.999 122 E HN 0.614 nan 8.360 nan 0.000 0.481 123 L N 1.018 122.284 121.223 0.072 0.000 2.611 123 L HA 0.129 4.470 4.340 0.001 0.000 0.260 123 L C -0.648 176.272 176.870 0.083 0.000 0.924 123 L CA -0.948 53.938 54.840 0.077 0.000 0.901 123 L CB 2.018 44.129 42.059 0.086 0.000 1.369 123 L HN 0.485 nan 8.230 nan 0.000 0.415 124 D N 1.193 121.654 120.400 0.102 0.000 2.424 124 D HA -0.017 4.623 4.640 0.001 0.000 0.244 124 D C 0.829 177.253 176.300 0.206 0.000 1.134 124 D CA -0.271 53.810 54.000 0.135 0.000 0.881 124 D CB 1.299 42.178 40.800 0.133 0.000 1.191 124 D HN 0.556 nan 8.370 nan 0.000 0.445 125 H N 2.101 121.293 119.070 0.204 0.000 2.330 125 H HA -0.213 4.343 4.556 0.001 0.000 0.290 125 H C 1.485 176.948 175.328 0.225 0.000 1.111 125 H CA 2.270 58.478 56.048 0.268 0.000 1.226 125 H CB 0.282 30.203 29.762 0.265 0.000 1.355 125 H HN 0.644 nan 8.280 nan 0.000 0.485 126 E N 0.129 120.541 120.200 0.353 0.000 2.033 126 E HA -0.223 4.128 4.350 0.001 0.000 0.199 126 E C 2.525 179.336 176.600 0.352 0.000 1.011 126 E CA 0.924 57.542 56.400 0.364 0.000 0.815 126 E CB -0.222 29.679 29.700 0.335 0.000 0.755 126 E HN 0.332 nan 8.360 nan 0.000 0.451 127 R N 0.570 121.213 120.500 0.239 0.000 2.080 127 R HA -0.161 4.179 4.340 0.001 0.000 0.236 127 R C 2.496 178.915 176.300 0.199 0.000 1.137 127 R CA 1.758 57.967 56.100 0.183 0.000 0.943 127 R CB -0.243 30.133 30.300 0.127 0.000 0.846 127 R HN 0.198 nan 8.270 nan 0.000 0.431 128 M N -0.258 119.472 119.600 0.218 0.000 2.082 128 M HA -0.251 4.229 4.480 0.001 0.000 0.258 128 M C 2.323 178.790 176.300 0.279 0.000 1.071 128 M CA 2.383 57.821 55.300 0.230 0.000 1.103 128 M CB -0.299 32.473 32.600 0.286 0.000 1.307 128 M HN 0.236 nan 8.290 nan 0.000 0.409 129 S N -0.622 115.266 115.700 0.313 0.000 2.359 129 S HA -0.273 4.198 4.470 0.001 0.000 0.222 129 S C 1.875 176.686 174.600 0.351 0.000 1.038 129 S CA 1.921 60.248 58.200 0.212 0.000 1.051 129 S CB -0.846 62.274 63.200 -0.133 0.000 0.944 129 S HN 0.678 nan 8.310 nan 0.000 0.433 130 Y N 1.893 122.284 120.300 0.151 0.000 2.114 130 Y HA -0.114 4.436 4.550 0.001 0.000 0.282 130 Y C 2.085 177.934 175.900 -0.085 0.000 1.165 130 Y CA 1.792 59.687 58.100 -0.341 0.000 1.148 130 Y CB -0.804 37.210 38.460 -0.744 0.000 0.972 130 Y HN 0.303 nan 8.280 nan 0.000 0.504 131 L N -1.169 119.994 121.223 -0.100 0.000 1.971 131 L HA -0.294 4.046 4.340 0.001 0.000 0.215 131 L C 2.437 179.246 176.870 -0.102 0.000 1.072 131 L CA 1.222 55.970 54.840 -0.154 0.000 0.758 131 L CB -0.915 41.127 42.059 -0.029 0.000 0.889 131 L HN 0.240 nan 8.230 nan 0.000 0.433 132 L N -1.005 120.237 121.223 0.032 0.000 2.089 132 L HA -0.299 4.041 4.340 0.001 0.000 0.213 132 L C 2.327 179.228 176.870 0.051 0.000 1.079 132 L CA 1.810 56.689 54.840 0.065 0.000 0.758 132 L CB -1.091 41.079 42.059 0.185 0.000 0.891 132 L HN 0.247 nan 8.230 nan 0.000 0.433 133 Y N 0.433 120.707 120.300 -0.043 0.000 2.034 133 Y HA -0.331 4.220 4.550 0.001 0.000 0.269 133 Y C 2.701 178.510 175.900 -0.151 0.000 1.125 133 Y CA 2.131 60.207 58.100 -0.040 0.000 1.097 133 Y CB -0.556 37.916 38.460 0.020 0.000 0.978 133 Y HN 0.290 nan 8.280 nan 0.000 0.480 134 Q N -0.210 119.434 119.800 -0.259 0.000 2.142 134 Q HA -0.360 3.980 4.340 0.001 0.000 0.213 134 Q C 2.439 178.281 176.000 -0.262 0.000 1.004 134 Q CA 2.378 57.990 55.803 -0.317 0.000 0.883 134 Q CB -0.491 28.033 28.738 -0.357 0.000 0.939 134 Q HN 0.652 nan 8.270 nan 0.000 0.413 135 M N 0.420 119.894 119.600 -0.211 0.000 2.088 135 M HA -0.253 4.227 4.480 0.001 0.000 0.256 135 M C 1.997 178.178 176.300 -0.199 0.000 1.071 135 M CA 1.689 56.884 55.300 -0.175 0.000 1.097 135 M CB -0.068 32.453 32.600 -0.132 0.000 1.315 135 M HN 0.212 nan 8.290 nan 0.000 0.406 136 L N -0.794 120.301 121.223 -0.214 0.000 2.017 136 L HA -0.277 4.063 4.340 0.001 0.000 0.208 136 L C 2.584 179.286 176.870 -0.280 0.000 1.073 136 L CA 1.370 56.078 54.840 -0.220 0.000 0.745 136 L CB -0.869 41.082 42.059 -0.181 0.000 0.894 136 L HN 0.485 nan 8.230 nan 0.000 0.432 137 C N 0.079 119.147 119.300 -0.387 0.000 2.393 137 C HA -0.179 4.282 4.460 0.001 0.000 0.276 137 C C 2.950 177.745 174.990 -0.325 0.000 1.215 137 C CA 0.911 59.722 59.018 -0.344 0.000 1.743 137 C CB -1.804 25.745 27.740 -0.318 0.000 2.044 137 C HN 0.731 nan 8.230 nan 0.000 0.464 138 G N 0.458 109.095 108.800 -0.272 0.000 2.469 138 G HA2 -0.222 3.738 3.960 0.001 0.000 0.219 138 G HA3 -0.222 3.738 3.960 0.001 0.000 0.219 138 G C 1.425 176.190 174.900 -0.226 0.000 1.150 138 G CA 1.220 46.162 45.100 -0.264 0.000 0.763 138 G HN 0.585 nan 8.290 nan 0.000 0.561 139 I N 0.537 120.964 120.570 -0.238 0.000 2.193 139 I HA -0.093 4.078 4.170 0.001 0.000 0.240 139 I C 2.629 178.528 176.117 -0.363 0.000 1.084 139 I CA 1.499 62.609 61.300 -0.317 0.000 1.365 139 I CB -0.282 37.483 38.000 -0.391 0.000 1.064 139 I HN 0.151 nan 8.210 nan 0.000 0.410 140 K N 1.190 121.428 120.400 -0.269 0.000 2.077 140 K HA -0.344 3.977 4.320 0.001 0.000 0.213 140 K C 2.122 178.686 176.600 -0.060 0.000 1.051 140 K CA 2.247 58.460 56.287 -0.124 0.000 0.929 140 K CB -0.696 31.752 32.500 -0.087 0.000 0.715 140 K HN 0.398 nan 8.250 nan 0.000 0.451 141 H N -0.779 118.156 119.070 -0.225 0.000 2.352 141 H HA -0.069 4.488 4.556 0.001 0.000 0.299 141 H C 1.587 176.853 175.328 -0.104 0.000 1.097 141 H CA 1.987 57.915 56.048 -0.200 0.000 1.311 141 H CB -0.234 29.268 29.762 -0.433 0.000 1.377 141 H HN 0.211 nan 8.280 nan 0.000 0.504 142 L N -0.028 121.130 121.223 -0.108 0.000 2.141 142 L HA -0.122 4.218 4.340 0.001 0.000 0.209 142 L C 2.019 178.930 176.870 0.069 0.000 1.094 142 L CA 1.778 56.582 54.840 -0.060 0.000 0.763 142 L CB -0.861 41.223 42.059 0.041 0.000 0.908 142 L HN 0.516 nan 8.230 nan 0.000 0.437 143 H N -1.969 117.071 119.070 -0.050 0.000 2.470 143 H HA -0.008 4.548 4.556 0.001 0.000 0.289 143 H C 1.965 177.267 175.328 -0.042 0.000 1.033 143 H CA 0.750 56.785 56.048 -0.021 0.000 1.331 143 H CB 0.295 30.061 29.762 0.007 0.000 1.414 143 H HN 0.377 nan 8.280 nan 0.000 0.545 144 S N 0.290 116.019 115.700 0.048 0.000 2.723 144 S HA 0.105 4.576 4.470 0.001 0.000 0.231 144 S C 1.229 175.798 174.600 -0.051 0.000 0.967 144 S CA 0.410 58.605 58.200 -0.010 0.000 0.958 144 S CB 0.131 63.305 63.200 -0.043 0.000 0.778 144 S HN 0.390 nan 8.310 nan 0.000 0.537 145 A N -0.037 122.753 122.820 -0.049 0.000 2.676 145 A HA 0.697 5.018 4.320 0.001 0.000 0.258 145 A C 1.086 178.658 177.584 -0.021 0.000 0.898 145 A CA -0.149 51.855 52.037 -0.056 0.000 1.087 145 A CB -0.601 18.332 19.000 -0.112 0.000 1.214 145 A HN 1.255 nan 8.150 nan 0.000 0.474 146 G N 0.348 109.144 108.800 -0.007 0.000 2.380 146 G HA2 -0.270 3.691 3.960 0.001 0.000 0.298 146 G HA3 -0.270 3.691 3.960 0.001 0.000 0.298 146 G C 0.079 174.987 174.900 0.014 0.000 0.989 146 G CA 1.140 46.236 45.100 -0.008 0.000 0.836 146 G HN 0.723 nan 8.290 nan 0.000 0.511 147 I N 0.246 120.841 120.570 0.042 0.000 2.339 147 I HA 0.455 4.626 4.170 0.001 0.000 0.290 147 I C 0.418 176.642 176.117 0.179 0.000 0.994 147 I CA -0.893 60.451 61.300 0.075 0.000 1.191 147 I CB 1.403 39.421 38.000 0.030 0.000 1.343 147 I HN -0.063 nan 8.210 nan 0.000 0.458 148 I N 5.213 125.877 120.570 0.156 0.000 2.354 148 I HA 0.189 4.359 4.170 0.001 0.000 0.292 148 I C 1.067 177.293 176.117 0.183 0.000 0.989 148 I CA -0.535 60.893 61.300 0.213 0.000 1.188 148 I CB 1.552 39.632 38.000 0.134 0.000 1.342 148 I HN 0.641 nan 8.210 nan 0.000 0.457 149 H N 6.555 125.732 119.070 0.178 0.000 2.290 149 H HA -0.109 4.448 4.556 0.001 0.000 0.298 149 H C 1.127 176.478 175.328 0.038 0.000 1.087 149 H CA 2.481 58.603 56.048 0.123 0.000 1.291 149 H CB 0.246 30.054 29.762 0.077 0.000 1.369 149 H HN 0.599 nan 8.280 nan 0.000 0.492 150 R N -1.777 118.800 120.500 0.128 0.000 3.884 150 R HA -0.204 4.136 4.340 0.001 0.000 0.464 150 R C -0.283 176.058 176.300 0.069 0.000 0.963 150 R CA 1.254 57.347 56.100 -0.012 0.000 1.408 150 R CB -1.803 28.404 30.300 -0.156 0.000 2.054 150 R HN 0.483 nan 8.270 nan 0.000 0.522 151 D N 0.241 120.824 120.400 0.306 0.000 2.865 151 D HA 0.243 4.883 4.640 0.001 0.000 0.347 151 D C -0.487 175.914 176.300 0.168 0.000 1.498 151 D CA -0.199 53.929 54.000 0.214 0.000 0.787 151 D CB 0.399 41.237 40.800 0.063 0.000 1.190 151 D HN 0.107 nan 8.370 nan 0.000 0.445 152 L N 1.733 122.985 121.223 0.049 0.000 2.453 152 L HA 0.284 4.624 4.340 0.001 0.000 0.272 152 L C 0.459 177.150 176.870 -0.297 0.000 1.182 152 L CA 0.478 55.171 54.840 -0.244 0.000 0.858 152 L CB 0.363 42.294 42.059 -0.213 0.000 1.120 152 L HN 0.114 nan 8.230 nan 0.000 0.474 153 K N 1.708 121.857 120.400 -0.418 0.000 2.639 153 K HA 0.336 4.657 4.320 0.001 0.000 0.279 153 K C -2.887 173.475 176.600 -0.397 0.000 0.976 153 K CA -1.489 54.364 56.287 -0.724 0.000 0.861 153 K CB 1.185 33.079 32.500 -1.010 0.000 1.436 153 K HN -0.069 nan 8.250 nan 0.000 0.400 154 P HA -0.290 nan 4.420 nan 0.000 0.217 154 P C 0.949 178.164 177.300 -0.142 0.000 1.162 154 P CA 2.249 65.260 63.100 -0.148 0.000 0.901 154 P CB 0.040 31.701 31.700 -0.064 0.000 0.793 155 S N -0.852 114.765 115.700 -0.139 0.000 2.399 155 S HA -0.229 4.242 4.470 0.001 0.000 0.235 155 S C 1.479 176.008 174.600 -0.118 0.000 1.063 155 S CA 1.718 59.856 58.200 -0.102 0.000 1.070 155 S CB -1.137 62.011 63.200 -0.086 0.000 0.904 155 S HN 0.280 nan 8.310 nan 0.000 0.456 156 N N 0.661 119.263 118.700 -0.164 0.000 2.322 156 N HA 0.279 5.019 4.740 0.001 0.000 0.194 156 N C -0.261 175.135 175.510 -0.190 0.000 1.126 156 N CA 0.294 53.238 53.050 -0.178 0.000 0.845 156 N CB 0.166 38.528 38.487 -0.208 0.000 0.976 156 N HN 0.443 nan 8.380 nan 0.000 0.475 157 I N 0.917 121.392 120.570 -0.159 0.000 2.465 157 I HA 0.277 4.447 4.170 0.001 0.000 0.291 157 I C -0.040 176.019 176.117 -0.097 0.000 1.014 157 I CA -1.179 60.038 61.300 -0.140 0.000 1.093 157 I CB 2.087 40.000 38.000 -0.145 0.000 1.267 157 I HN -0.287 nan 8.210 nan 0.000 0.431 158 V N 4.758 124.623 119.914 -0.082 0.000 2.850 158 V HA 0.869 4.989 4.120 0.001 0.000 0.315 158 V C -0.185 175.879 176.094 -0.050 0.000 1.064 158 V CA -0.594 61.672 62.300 -0.057 0.000 0.979 158 V CB 1.722 33.518 31.823 -0.046 0.000 1.039 158 V HN 0.581 nan 8.190 nan 0.000 0.452 159 V N 0.090 119.982 119.914 -0.036 0.000 3.102 159 V HA 0.767 4.888 4.120 0.001 0.000 0.312 159 V C -0.572 175.512 176.094 -0.016 0.000 1.135 159 V CA -0.896 61.387 62.300 -0.029 0.000 1.022 159 V CB 1.756 33.564 31.823 -0.025 0.000 1.056 159 V HN 1.202 nan 8.190 nan 0.000 0.436 160 K N 0.313 120.707 120.400 -0.010 0.000 2.350 160 K HA 0.576 4.896 4.320 0.001 0.000 0.241 160 K C 0.877 177.478 176.600 0.003 0.000 0.994 160 K CA -0.193 56.093 56.287 -0.002 0.000 0.839 160 K CB 2.305 34.805 32.500 0.000 0.000 1.244 160 K HN 0.786 nan 8.250 nan 0.000 0.443 161 S N 0.873 116.575 115.700 0.005 0.000 2.469 161 S HA -0.146 4.325 4.470 0.001 0.000 0.238 161 S C 0.873 175.477 174.600 0.007 0.000 0.998 161 S CA 1.422 59.625 58.200 0.006 0.000 0.957 161 S CB -0.305 62.898 63.200 0.005 0.000 0.764 161 S HN 0.767 nan 8.310 nan 0.000 0.514 162 D N 0.136 120.541 120.400 0.008 0.000 2.349 162 D HA 0.031 4.671 4.640 0.001 0.000 0.224 162 D C 0.571 176.884 176.300 0.021 0.000 1.029 162 D CA -0.096 53.908 54.000 0.008 0.000 0.879 162 D CB -0.846 39.958 40.800 0.006 0.000 0.906 162 D HN 0.283 nan 8.370 nan 0.000 0.528 163 C N 0.853 120.171 119.300 0.029 0.000 4.619 163 C HA -0.116 4.344 4.460 0.001 0.000 0.304 163 C C 0.136 175.176 174.990 0.084 0.000 1.281 163 C CA 0.827 59.879 59.018 0.057 0.000 2.101 163 C CB -2.885 24.899 27.740 0.073 0.000 1.221 163 C HN 0.689 nan 8.230 nan 0.000 0.760 164 T N -0.113 114.456 114.554 0.025 0.000 2.847 164 T HA 0.566 4.916 4.350 0.001 0.000 0.291 164 T C -0.423 174.246 174.700 -0.053 0.000 0.998 164 T CA -0.369 61.722 62.100 -0.015 0.000 0.967 164 T CB 1.551 70.424 68.868 0.007 0.000 0.954 164 T HN 1.239 nan 8.240 nan 0.000 0.441 165 L N 2.377 123.538 121.223 -0.103 0.000 2.421 165 L HA 0.786 5.126 4.340 0.001 0.000 0.263 165 L C -0.673 176.149 176.870 -0.079 0.000 1.122 165 L CA -0.693 54.091 54.840 -0.093 0.000 0.804 165 L CB 0.999 42.986 42.059 -0.120 0.000 1.150 165 L HN 0.753 nan 8.230 nan 0.000 0.457 166 K N 3.957 124.317 120.400 -0.067 0.000 2.546 166 K HA 0.499 4.819 4.320 0.001 0.000 0.264 166 K C -1.400 175.161 176.600 -0.065 0.000 0.937 166 K CA -0.665 55.596 56.287 -0.043 0.000 0.833 166 K CB 2.341 34.833 32.500 -0.013 0.000 1.378 166 K HN 0.529 nan 8.250 nan 0.000 0.432 167 I N 3.151 123.689 120.570 -0.053 0.000 2.677 167 I HA 0.478 4.648 4.170 0.001 0.000 0.305 167 I C -0.416 175.631 176.117 -0.117 0.000 0.988 167 I CA -0.965 60.263 61.300 -0.121 0.000 1.260 167 I CB 0.660 38.585 38.000 -0.125 0.000 1.410 167 I HN 0.416 nan 8.210 nan 0.000 0.523 168 L N 0.388 121.429 121.223 -0.303 0.000 2.801 168 L HA 0.659 4.999 4.340 0.001 0.000 0.264 168 L C -0.874 175.618 176.870 -0.630 0.000 1.086 168 L CA -1.029 53.558 54.840 -0.422 0.000 0.920 168 L CB 0.660 42.617 42.059 -0.170 0.000 1.529 168 L HN 0.695 nan 8.230 nan 0.000 0.399 169 D N -0.283 119.772 120.400 -0.574 0.000 6.041 169 D HA -0.192 4.448 4.640 0.001 0.000 0.239 169 D C -1.090 174.790 176.300 -0.700 0.000 1.667 169 D CA 0.720 54.472 54.000 -0.413 0.000 1.478 169 D CB -0.269 40.393 40.800 -0.231 0.000 0.683 169 D HN 0.650 nan 8.370 nan 0.000 0.375 170 F N 1.174 121.072 119.950 -0.086 0.000 2.856 170 F HA 0.296 4.824 4.527 0.001 0.000 0.338 170 F C 2.291 177.985 175.800 -0.176 0.000 1.100 170 F CA 0.189 58.090 58.000 -0.164 0.000 1.150 170 F CB 0.474 39.420 39.000 -0.090 0.000 1.101 170 F HN 0.406 nan 8.300 nan 0.000 0.548 171 G N 0.328 109.110 108.800 -0.030 0.000 2.564 171 G HA2 -0.174 3.786 3.960 0.001 0.000 0.217 171 G HA3 -0.174 3.786 3.960 0.001 0.000 0.217 171 G C 1.253 176.099 174.900 -0.090 0.000 1.120 171 G CA 0.967 46.027 45.100 -0.068 0.000 0.752 171 G HN 0.214 nan 8.290 nan 0.000 0.558 172 L N -0.002 121.147 121.223 -0.124 0.000 2.766 172 L HA 0.476 4.816 4.340 0.001 0.000 0.242 172 L C 1.506 178.310 176.870 -0.111 0.000 1.136 172 L CA -0.725 54.038 54.840 -0.128 0.000 0.933 172 L CB 0.271 42.230 42.059 -0.165 0.000 1.241 172 L HN 0.120 nan 8.230 nan 0.000 0.522 173 A N 0.458 123.229 122.820 -0.080 0.000 2.457 173 A HA 0.608 4.928 4.320 0.001 0.000 0.298 173 A C 0.998 178.598 177.584 0.027 0.000 1.288 173 A CA 0.373 52.400 52.037 -0.016 0.000 0.956 173 A CB -0.378 18.662 19.000 0.067 0.000 1.135 173 A HN 0.309 nan 8.150 nan 0.000 0.535 174 R N 0.825 121.358 120.500 0.055 0.000 2.722 174 R HA 0.786 5.126 4.340 0.001 0.000 0.210 174 R C 1.259 177.618 176.300 0.099 0.000 1.453 174 R CA 0.630 56.780 56.100 0.083 0.000 0.964 174 R CB -0.357 30.013 30.300 0.118 0.000 2.311 174 R HN 1.027 nan 8.270 nan 0.000 0.517 175 T N -3.383 111.231 114.554 0.099 0.000 3.010 175 T HA 0.557 4.908 4.350 0.001 0.000 0.253 175 T C -0.086 174.645 174.700 0.052 0.000 0.939 175 T CA 1.082 63.224 62.100 0.070 0.000 0.910 175 T CB 0.287 69.175 68.868 0.032 0.000 1.226 175 T HN 1.647 nan 8.240 nan 0.000 0.508 176 A N -0.777 122.031 122.820 -0.019 0.000 2.605 176 A HA 0.672 4.993 4.320 0.001 0.000 0.294 176 A C 1.051 178.225 177.584 -0.683 0.000 1.062 176 A CA -0.019 51.886 52.037 -0.220 0.000 0.682 176 A CB 0.254 19.168 19.000 -0.143 0.000 1.278 176 A HN 0.212 nan 8.150 nan 0.000 0.410 177 G N -0.122 108.026 108.800 -1.087 0.000 2.479 177 G HA2 0.157 4.117 3.960 0.001 0.000 0.220 177 G HA3 0.157 4.117 3.960 0.001 0.000 0.220 177 G C 0.962 175.546 174.900 -0.527 0.000 1.115 177 G CA 1.776 46.110 45.100 -1.276 0.000 0.757 177 G HN 1.859 nan 8.290 nan 0.000 0.560 178 T N -1.122 113.250 114.554 -0.303 0.000 8.547 178 T HA -0.346 4.005 4.350 0.001 0.000 0.354 178 T C 1.518 176.249 174.700 0.051 0.000 1.814 178 T CA 2.212 64.258 62.100 -0.090 0.000 2.663 178 T CB -1.562 67.247 68.868 -0.098 0.000 2.776 178 T HN 1.415 nan 8.240 nan 0.000 1.256 179 S N -1.142 114.535 115.700 -0.037 0.000 1.630 179 S HA -0.202 4.269 4.470 0.001 0.000 0.242 179 S C 0.073 174.748 174.600 0.126 0.000 0.845 179 S CA 1.704 59.927 58.200 0.039 0.000 1.337 179 S CB -1.611 61.632 63.200 0.072 0.000 1.633 179 S HN 1.601 nan 8.310 nan 0.000 0.521 180 F N 3.926 123.835 119.950 -0.069 0.000 2.579 180 F HA 0.904 5.432 4.527 0.001 0.000 0.324 180 F C -0.414 175.375 175.800 -0.017 0.000 1.058 180 F CA -0.825 57.155 58.000 -0.034 0.000 0.944 180 F CB 1.258 40.242 39.000 -0.028 0.000 1.245 180 F HN 0.299 nan 8.300 nan 0.000 0.477 181 M N 2.095 121.525 119.600 -0.284 0.000 2.667 181 M HA 0.516 4.996 4.480 0.001 0.000 0.286 181 M C -1.786 174.388 176.300 -0.211 0.000 1.270 181 M CA -0.865 54.225 55.300 -0.349 0.000 0.826 181 M CB 2.117 34.684 32.600 -0.056 0.000 1.743 181 M HN 0.798 nan 8.290 nan 0.000 0.460 182 M N 2.044 121.545 119.600 -0.165 0.000 2.365 182 M HA 0.444 4.924 4.480 0.001 0.000 0.350 182 M C 0.101 176.387 176.300 -0.023 0.000 1.274 182 M CA 0.875 56.144 55.300 -0.051 0.000 1.252 182 M CB 0.144 32.724 32.600 -0.035 0.000 1.297 182 M HN 0.994 nan 8.290 nan 0.000 0.438 183 E N 1.951 122.145 120.200 -0.009 0.000 3.243 183 E HA -0.087 4.264 4.350 0.001 0.000 0.178 183 E C -2.480 174.101 176.600 -0.031 0.000 1.421 183 E CA 0.055 56.441 56.400 -0.024 0.000 0.787 183 E CB -2.598 27.087 29.700 -0.024 0.000 1.099 183 E HN 0.659 nan 8.360 nan 0.000 0.396 184 P HA 0.158 nan 4.420 nan 0.000 0.251 184 P C 0.589 177.872 177.300 -0.029 0.000 1.251 184 P CA 1.496 64.587 63.100 -0.015 0.000 0.763 184 P CB -0.147 31.553 31.700 0.001 0.000 1.067 185 E N -0.095 120.072 120.200 -0.055 0.000 2.496 185 E HA 0.236 4.587 4.350 0.001 0.000 0.202 185 E C 1.116 177.689 176.600 -0.044 0.000 1.021 185 E CA -0.049 56.312 56.400 -0.066 0.000 1.015 185 E CB -0.512 29.114 29.700 -0.124 0.000 1.102 185 E HN 0.142 nan 8.360 nan 0.000 0.452 186 V N -0.984 118.909 119.914 -0.035 0.000 2.490 186 V HA 0.213 4.333 4.120 0.001 0.000 0.238 186 V C 1.245 177.323 176.094 -0.026 0.000 1.056 186 V CA 0.571 62.848 62.300 -0.038 0.000 1.075 186 V CB 0.612 32.406 31.823 -0.048 0.000 0.746 186 V HN 0.336 nan 8.190 nan 0.000 0.479 187 V N 2.676 122.581 119.914 -0.016 0.000 2.788 187 V HA 0.064 4.184 4.120 0.001 0.000 0.307 187 V C 0.669 176.791 176.094 0.046 0.000 1.069 187 V CA 0.872 63.178 62.300 0.010 0.000 1.173 187 V CB 0.905 32.734 31.823 0.011 0.000 0.925 187 V HN 0.780 nan 8.190 nan 0.000 0.492 188 T N 5.974 120.580 114.554 0.086 0.000 2.765 188 T HA 0.110 4.460 4.350 0.001 0.000 0.284 188 T C 1.080 175.888 174.700 0.181 0.000 0.946 188 T CA -0.032 62.150 62.100 0.137 0.000 1.185 188 T CB 0.122 69.109 68.868 0.199 0.000 0.887 188 T HN 0.714 nan 8.240 nan 0.000 0.532 189 R N 2.328 122.840 120.500 0.021 0.000 2.273 189 R HA -0.312 4.029 4.340 0.001 0.000 0.229 189 R C 1.360 177.669 176.300 0.015 0.000 1.104 189 R CA 2.393 58.453 56.100 -0.067 0.000 0.870 189 R CB -0.846 29.264 30.300 -0.316 0.000 0.894 189 R HN 0.748 nan 8.270 nan 0.000 0.421 190 Y N -1.240 119.118 120.300 0.097 0.000 2.265 190 Y HA -0.279 4.272 4.550 0.001 0.000 0.280 190 Y C 1.731 177.473 175.900 -0.263 0.000 1.222 190 Y CA 1.721 59.736 58.100 -0.141 0.000 1.226 190 Y CB -0.603 37.609 38.460 -0.413 0.000 0.968 190 Y HN 0.375 nan 8.280 nan 0.000 0.540 191 Y N -1.142 119.368 120.300 0.351 0.000 2.531 191 Y HA 0.267 4.818 4.550 0.001 0.000 0.249 191 Y C 0.737 176.891 175.900 0.424 0.000 1.168 191 Y CA -1.123 57.195 58.100 0.363 0.000 1.226 191 Y CB -0.027 38.576 38.460 0.238 0.000 1.177 191 Y HN -0.181 nan 8.280 nan 0.000 0.527 192 R N 1.235 121.980 120.500 0.409 0.000 2.643 192 R HA 0.476 4.817 4.340 0.001 0.000 0.270 192 R C 0.282 176.659 176.300 0.127 0.000 1.061 192 R CA 0.042 56.285 56.100 0.237 0.000 1.107 192 R CB 0.565 30.939 30.300 0.124 0.000 0.999 192 R HN 0.172 nan 8.270 nan 0.000 0.460 193 A N 3.892 126.560 122.820 -0.253 0.000 2.271 193 A HA 0.329 4.650 4.320 0.001 0.000 0.288 193 A C -1.663 175.541 177.584 -0.634 0.000 1.094 193 A CA -1.631 49.750 52.037 -1.093 0.000 0.828 193 A CB 0.308 18.892 19.000 -0.693 0.000 1.091 193 A HN 0.457 nan 8.150 nan 0.000 0.493 194 P HA -0.187 nan 4.420 nan 0.000 0.216 194 P C 0.972 178.223 177.300 -0.082 0.000 1.150 194 P CA 1.551 64.537 63.100 -0.190 0.000 0.837 194 P CB 0.078 31.748 31.700 -0.050 0.000 0.786 195 E N -0.281 119.872 120.200 -0.079 0.000 2.520 195 E HA -0.045 4.305 4.350 0.001 0.000 0.201 195 E C 0.859 177.465 176.600 0.009 0.000 1.122 195 E CA 0.731 57.140 56.400 0.016 0.000 0.896 195 E CB -0.589 29.152 29.700 0.069 0.000 0.891 195 E HN 0.162 nan 8.360 nan 0.000 0.533 196 V N 0.541 120.432 119.914 -0.038 0.000 3.473 196 V HA 0.032 4.152 4.120 0.001 0.000 0.253 196 V C 2.053 178.149 176.094 0.003 0.000 1.340 196 V CA 0.214 62.510 62.300 -0.006 0.000 1.103 196 V CB 0.017 31.821 31.823 -0.032 0.000 0.881 196 V HN 0.262 nan 8.190 nan 0.000 0.451 197 I N -0.834 119.730 120.570 -0.009 0.000 3.059 197 I HA 0.061 4.231 4.170 0.001 0.000 0.270 197 I C 1.574 177.666 176.117 -0.042 0.000 1.238 197 I CA 1.297 62.610 61.300 0.022 0.000 1.478 197 I CB -0.176 37.868 38.000 0.075 0.000 1.097 197 I HN 0.202 nan 8.210 nan 0.000 0.455 198 L N 1.188 122.353 121.223 -0.096 0.000 2.766 198 L HA 0.440 4.781 4.340 0.001 0.000 0.242 198 L C 1.333 178.156 176.870 -0.079 0.000 1.136 198 L CA 0.263 55.016 54.840 -0.146 0.000 0.933 198 L CB 0.327 42.227 42.059 -0.264 0.000 1.241 198 L HN 0.420 nan 8.230 nan 0.000 0.522 199 G N 0.868 109.652 108.800 -0.025 0.000 2.176 199 G HA2 -0.328 3.632 3.960 0.001 0.000 0.252 199 G HA3 -0.328 3.632 3.960 0.001 0.000 0.252 199 G C 0.576 175.476 174.900 0.000 0.000 1.024 199 G CA 0.292 45.394 45.100 0.004 0.000 0.755 199 G HN 0.354 nan 8.290 nan 0.000 0.507 200 M N 0.815 120.413 119.600 -0.004 0.000 2.704 200 M HA 0.327 4.807 4.480 0.001 0.000 0.215 200 M C 1.699 178.016 176.300 0.028 0.000 1.156 200 M CA 0.980 56.275 55.300 -0.008 0.000 1.002 200 M CB -0.413 32.181 32.600 -0.009 0.000 1.781 200 M HN 1.175 nan 8.290 nan 0.000 0.486 201 G N 1.197 110.024 108.800 0.044 0.000 2.801 201 G HA2 -0.277 3.683 3.960 0.001 0.000 0.244 201 G HA3 -0.277 3.683 3.960 0.001 0.000 0.244 201 G C -0.974 173.980 174.900 0.089 0.000 1.385 201 G CA -0.028 45.061 45.100 -0.019 0.000 0.894 201 G HN 0.684 nan 8.290 nan 0.000 0.562 202 Y N -3.265 117.032 120.300 -0.005 0.000 2.565 202 Y HA 0.798 5.348 4.550 0.001 0.000 0.330 202 Y C -0.238 175.659 175.900 -0.005 0.000 1.150 202 Y CA -1.245 56.854 58.100 -0.001 0.000 1.055 202 Y CB 0.508 38.967 38.460 -0.001 0.000 1.337 202 Y HN 0.745 nan 8.280 nan 0.000 0.457 203 K N 1.099 121.630 120.400 0.218 0.000 2.720 203 K HA 0.268 4.588 4.320 0.001 0.000 0.281 203 K C 0.738 177.422 176.600 0.140 0.000 1.019 203 K CA -0.199 56.160 56.287 0.121 0.000 1.088 203 K CB 0.675 33.215 32.500 0.066 0.000 1.449 203 K HN 0.939 nan 8.250 nan 0.000 0.542 204 E N 0.197 120.389 120.200 -0.013 0.000 2.371 204 E HA -0.105 4.246 4.350 0.001 0.000 0.194 204 E C 0.974 177.569 176.600 -0.008 0.000 1.012 204 E CA 0.757 57.050 56.400 -0.179 0.000 0.860 204 E CB -0.188 29.106 29.700 -0.677 0.000 0.811 204 E HN 0.387 nan 8.360 nan 0.000 0.502 205 N N 1.555 120.295 118.700 0.067 0.000 2.184 205 N HA -0.196 4.545 4.740 0.001 0.000 0.190 205 N C 1.854 177.475 175.510 0.184 0.000 1.011 205 N CA 1.244 54.378 53.050 0.140 0.000 0.867 205 N CB -0.390 38.175 38.487 0.129 0.000 0.993 205 N HN 0.108 nan 8.380 nan 0.000 0.433 206 V N 1.526 121.529 119.914 0.148 0.000 2.233 206 V HA -0.348 3.772 4.120 0.001 0.000 0.252 206 V C 1.427 177.649 176.094 0.214 0.000 1.063 206 V CA 2.205 64.587 62.300 0.137 0.000 1.032 206 V CB -0.542 31.282 31.823 0.000 0.000 0.645 206 V HN 0.310 nan 8.190 nan 0.000 0.446 207 D N -0.494 120.036 120.400 0.217 0.000 2.203 207 D HA -0.209 4.432 4.640 0.001 0.000 0.199 207 D C 2.009 178.432 176.300 0.204 0.000 0.997 207 D CA 1.940 56.077 54.000 0.230 0.000 0.863 207 D CB -0.270 40.709 40.800 0.298 0.000 0.928 207 D HN 0.500 nan 8.370 nan 0.000 0.458 208 L N 0.084 121.444 121.223 0.229 0.000 2.056 208 L HA -0.113 4.227 4.340 0.001 0.000 0.207 208 L C 2.420 179.417 176.870 0.211 0.000 1.078 208 L CA 0.883 55.831 54.840 0.180 0.000 0.749 208 L CB -0.261 41.901 42.059 0.173 0.000 0.901 208 L HN 0.248 nan 8.230 nan 0.000 0.433 209 W N 0.138 121.499 121.300 0.101 0.000 2.342 209 W HA -0.201 4.459 4.660 0.001 0.000 0.297 209 W C 2.216 178.823 176.519 0.148 0.000 1.213 209 W CA 1.644 59.061 57.345 0.121 0.000 1.251 209 W CB -0.368 29.165 29.460 0.122 0.000 1.136 209 W HN 0.129 nan 8.180 nan 0.000 0.526 210 S N 1.171 117.095 115.700 0.373 0.000 2.354 210 S HA -0.211 4.259 4.470 0.001 0.000 0.219 210 S C 1.974 176.639 174.600 0.108 0.000 1.035 210 S CA 2.142 60.512 58.200 0.283 0.000 1.037 210 S CB -0.953 62.386 63.200 0.233 0.000 0.956 210 S HN 0.116 nan 8.310 nan 0.000 0.428 211 V N 1.907 121.856 119.914 0.059 0.000 2.250 211 V HA -0.285 3.835 4.120 0.001 0.000 0.253 211 V C 2.652 178.720 176.094 -0.044 0.000 1.065 211 V CA 2.180 64.477 62.300 -0.005 0.000 1.039 211 V CB -1.732 30.084 31.823 -0.012 0.000 0.647 211 V HN 0.629 nan 8.190 nan 0.000 0.446 212 G N -1.519 107.237 108.800 -0.072 0.000 2.505 212 G HA2 -0.353 3.607 3.960 0.001 0.000 0.220 212 G HA3 -0.353 3.607 3.960 0.001 0.000 0.220 212 G C 1.715 176.486 174.900 -0.215 0.000 1.145 212 G CA 1.490 46.493 45.100 -0.162 0.000 0.761 212 G HN 0.554 nan 8.290 nan 0.000 0.571 213 C N 0.059 119.224 119.300 -0.225 0.000 2.435 213 C HA 0.116 4.576 4.460 0.001 0.000 0.279 213 C C 2.861 177.813 174.990 -0.063 0.000 1.321 213 C CA 0.409 59.324 59.018 -0.173 0.000 1.752 213 C CB -0.885 26.831 27.740 -0.041 0.000 1.959 213 C HN 0.486 nan 8.230 nan 0.000 0.500 214 I N 0.147 120.729 120.570 0.020 0.000 2.233 214 I HA -0.235 3.935 4.170 0.001 0.000 0.243 214 I C 2.630 178.707 176.117 -0.068 0.000 1.093 214 I CA 1.516 62.833 61.300 0.028 0.000 1.380 214 I CB -0.524 37.481 38.000 0.009 0.000 1.067 214 I HN 0.346 nan 8.210 nan 0.000 0.413 215 M N 0.942 120.482 119.600 -0.100 0.000 2.106 215 M HA -0.183 4.297 4.480 0.001 0.000 0.259 215 M C 2.108 178.286 176.300 -0.204 0.000 1.068 215 M CA 2.407 57.633 55.300 -0.124 0.000 1.100 215 M CB -0.485 32.039 32.600 -0.125 0.000 1.351 215 M HN 0.266 nan 8.290 nan 0.000 0.404 216 G N -0.675 107.962 108.800 -0.272 0.000 2.443 216 G HA2 -0.207 3.754 3.960 0.001 0.000 0.219 216 G HA3 -0.207 3.754 3.960 0.001 0.000 0.219 216 G C 1.329 176.077 174.900 -0.252 0.000 1.131 216 G CA 0.634 45.528 45.100 -0.344 0.000 0.775 216 G HN 0.638 nan 8.290 nan 0.000 0.547 217 E N -0.640 119.436 120.200 -0.207 0.000 2.482 217 E HA 0.138 4.488 4.350 0.001 0.000 0.196 217 E C 2.068 178.540 176.600 -0.213 0.000 1.047 217 E CA 0.014 56.303 56.400 -0.185 0.000 0.869 217 E CB -0.031 29.611 29.700 -0.097 0.000 0.836 217 E HN 0.433 nan 8.360 nan 0.000 0.520 218 M N -0.778 118.685 119.600 -0.229 0.000 2.501 218 M HA -0.019 4.461 4.480 0.001 0.000 0.261 218 M C 1.530 177.570 176.300 -0.434 0.000 1.129 218 M CA 0.332 55.483 55.300 -0.249 0.000 1.126 218 M CB 0.902 33.422 32.600 -0.134 0.000 1.359 218 M HN -0.011 nan 8.290 nan 0.000 0.471 219 V N -2.042 117.617 119.914 -0.426 0.000 3.307 219 V HA -0.078 4.042 4.120 0.001 0.000 0.253 219 V C 1.568 177.351 176.094 -0.519 0.000 1.149 219 V CA 0.837 62.846 62.300 -0.484 0.000 1.112 219 V CB 0.224 31.758 31.823 -0.482 0.000 0.777 219 V HN 0.503 nan 8.190 nan 0.000 0.464 220 C N -0.865 118.172 119.300 -0.439 0.000 2.791 220 C HA 0.272 4.733 4.460 0.001 0.000 0.288 220 C C 1.338 176.227 174.990 -0.168 0.000 1.271 220 C CA -0.000 58.867 59.018 -0.251 0.000 1.726 220 C CB -0.636 27.007 27.740 -0.161 0.000 2.145 220 C HN 0.751 nan 8.230 nan 0.000 0.572 221 H N 0.448 119.457 119.070 -0.102 0.000 3.109 221 H HA -0.123 4.433 4.556 0.001 0.000 0.245 221 H C -0.200 175.072 175.328 -0.093 0.000 1.187 221 H CA 1.279 57.276 56.048 -0.085 0.000 1.136 221 H CB -1.820 27.897 29.762 -0.075 0.000 1.243 221 H HN 0.609 nan 8.280 nan 0.000 0.328 222 K N 0.050 120.404 120.400 -0.076 0.000 2.546 222 K HA 0.466 4.787 4.320 0.001 0.000 0.264 222 K C 0.136 176.628 176.600 -0.180 0.000 0.937 222 K CA -0.994 55.227 56.287 -0.110 0.000 0.833 222 K CB 2.403 34.842 32.500 -0.102 0.000 1.378 222 K HN -0.079 nan 8.250 nan 0.000 0.432 223 I N 2.863 123.298 120.570 -0.225 0.000 2.906 223 I HA -0.222 3.949 4.170 0.001 0.000 0.301 223 I C 1.485 177.401 176.117 -0.335 0.000 1.221 223 I CA 0.106 61.215 61.300 -0.318 0.000 1.435 223 I CB 0.259 37.978 38.000 -0.469 0.000 1.345 223 I HN 0.538 nan 8.210 nan 0.000 0.558 224 L N 8.749 129.718 121.223 -0.424 0.000 2.093 224 L HA -0.012 4.328 4.340 0.001 0.000 0.208 224 L C 0.178 176.546 176.870 -0.837 0.000 1.085 224 L CA 1.865 56.297 54.840 -0.681 0.000 0.755 224 L CB -0.278 41.245 42.059 -0.893 0.000 0.904 224 L HN 0.389 nan 8.230 nan 0.000 0.435 225 F N -0.607 119.257 119.950 -0.144 0.000 2.646 225 F HA 0.417 4.945 4.527 0.001 0.000 0.364 225 F C -1.717 174.088 175.800 0.007 0.000 1.137 225 F CA -2.426 55.530 58.000 -0.074 0.000 1.085 225 F CB 0.522 39.517 39.000 -0.008 0.000 1.331 225 F HN -0.144 nan 8.300 nan 0.000 0.472 226 P HA -0.004 nan 4.420 nan 0.000 0.207 226 P C 0.297 177.820 177.300 0.372 0.000 0.938 226 P CA 1.650 64.835 63.100 0.142 0.000 0.948 226 P CB 0.008 31.734 31.700 0.043 0.000 0.643 227 G N -1.137 107.785 108.800 0.204 0.000 3.399 227 G HA2 -0.191 3.770 3.960 0.001 0.000 0.685 227 G HA3 -0.191 3.770 3.960 0.001 0.000 0.685 227 G C 0.373 175.355 174.900 0.136 0.000 0.952 227 G CA -0.511 44.678 45.100 0.149 0.000 0.793 227 G HN 0.169 nan 8.290 nan 0.000 0.492 228 R N 1.050 121.597 120.500 0.078 0.000 2.275 228 R HA 0.112 4.452 4.340 0.001 0.000 0.199 228 R C 0.633 176.953 176.300 0.035 0.000 0.989 228 R CA 1.628 57.766 56.100 0.064 0.000 1.016 228 R CB 0.087 30.417 30.300 0.049 0.000 0.918 228 R HN 0.928 nan 8.270 nan 0.000 0.473 229 D N -3.307 117.101 120.400 0.014 0.000 2.742 229 D HA -0.089 4.551 4.640 0.001 0.000 0.262 229 D C 0.526 176.836 176.300 0.017 0.000 1.240 229 D CA -0.795 53.220 54.000 0.024 0.000 0.752 229 D CB -0.192 40.619 40.800 0.019 0.000 1.290 229 D HN -0.055 nan 8.370 nan 0.000 0.420 230 Y N -0.080 120.214 120.300 -0.011 0.000 2.387 230 Y HA -0.158 4.393 4.550 0.001 0.000 0.280 230 Y C 0.824 176.746 175.900 0.037 0.000 1.196 230 Y CA 1.311 59.411 58.100 -0.000 0.000 1.322 230 Y CB -0.539 37.915 38.460 -0.010 0.000 0.970 230 Y HN 0.447 nan 8.280 nan 0.000 0.564 231 I N -0.530 119.742 120.570 -0.497 0.000 3.172 231 I HA -0.052 4.118 4.170 0.001 0.000 0.278 231 I C 1.687 177.783 176.117 -0.036 0.000 1.174 231 I CA 0.839 61.914 61.300 -0.373 0.000 1.445 231 I CB -0.076 37.587 38.000 -0.562 0.000 1.175 231 I HN 0.097 nan 8.210 nan 0.000 0.447 232 D N 0.635 121.013 120.400 -0.036 0.000 2.269 232 D HA -0.233 4.408 4.640 0.001 0.000 0.208 232 D C 2.005 178.341 176.300 0.059 0.000 0.963 232 D CA 0.840 54.860 54.000 0.032 0.000 0.864 232 D CB 0.181 40.992 40.800 0.019 0.000 0.936 232 D HN 0.072 nan 8.370 nan 0.000 0.505 233 Q N -0.702 119.141 119.800 0.072 0.000 2.297 233 Q HA -0.137 4.204 4.340 0.001 0.000 0.208 233 Q C 1.622 177.693 176.000 0.117 0.000 0.981 233 Q CA 1.130 56.989 55.803 0.093 0.000 0.876 233 Q CB -0.465 28.331 28.738 0.097 0.000 0.921 233 Q HN 0.606 nan 8.270 nan 0.000 0.446 234 W N -0.410 120.865 121.300 -0.041 0.000 2.539 234 W HA 0.024 4.684 4.660 0.001 0.000 0.281 234 W C 0.961 177.420 176.519 -0.101 0.000 1.220 234 W CA 0.593 57.901 57.345 -0.062 0.000 1.332 234 W CB -0.070 29.385 29.460 -0.008 0.000 1.095 234 W HN 0.155 nan 8.180 nan 0.000 0.571 235 N N 1.118 119.791 118.700 -0.044 0.000 2.519 235 N HA -0.141 4.599 4.740 0.001 0.000 0.186 235 N C 1.374 176.688 175.510 -0.327 0.000 1.062 235 N CA 1.021 53.947 53.050 -0.207 0.000 0.910 235 N CB 0.067 38.531 38.487 -0.038 0.000 0.958 235 N HN 0.152 nan 8.380 nan 0.000 0.445 236 K N 0.297 120.555 120.400 -0.236 0.000 2.141 236 K HA 0.120 4.440 4.320 0.001 0.000 0.202 236 K C 2.150 178.575 176.600 -0.292 0.000 1.045 236 K CA 0.254 56.429 56.287 -0.186 0.000 0.971 236 K CB -0.700 31.802 32.500 0.004 0.000 0.795 236 K HN -0.085 nan 8.250 nan 0.000 0.459 237 V N 3.670 123.304 119.914 -0.468 0.000 2.233 237 V HA -0.250 3.870 4.120 0.001 0.000 0.247 237 V C 2.496 178.234 176.094 -0.593 0.000 1.050 237 V CA 2.130 64.013 62.300 -0.695 0.000 1.010 237 V CB -0.772 30.657 31.823 -0.656 0.000 0.637 237 V HN 0.350 nan 8.190 nan 0.000 0.444 238 I N -0.862 119.201 120.570 -0.846 0.000 2.454 238 I HA -0.211 3.960 4.170 0.001 0.000 0.254 238 I C 2.241 178.014 176.117 -0.572 0.000 1.156 238 I CA 2.221 63.082 61.300 -0.732 0.000 1.433 238 I CB -0.504 36.949 38.000 -0.912 0.000 1.082 238 I HN 0.431 nan 8.210 nan 0.000 0.432 239 E N 0.265 120.006 120.200 -0.764 0.000 2.358 239 E HA -0.145 4.205 4.350 0.001 0.000 0.195 239 E C 1.971 178.364 176.600 -0.345 0.000 1.010 239 E CA 0.449 56.406 56.400 -0.739 0.000 0.856 239 E CB 0.224 29.451 29.700 -0.788 0.000 0.795 239 E HN 0.606 nan 8.360 nan 0.000 0.504 240 Q N -0.281 119.338 119.800 -0.302 0.000 2.263 240 Q HA 0.071 4.412 4.340 0.001 0.000 0.196 240 Q C 2.246 178.146 176.000 -0.166 0.000 0.965 240 Q CA 0.563 56.207 55.803 -0.266 0.000 0.851 240 Q CB 0.076 28.785 28.738 -0.048 0.000 0.948 240 Q HN 0.332 nan 8.270 nan 0.000 0.516 241 L N 0.002 121.156 121.223 -0.115 0.000 2.492 241 L HA 0.216 4.556 4.340 0.001 0.000 0.223 241 L C 0.806 177.672 176.870 -0.007 0.000 1.132 241 L CA 0.432 55.242 54.840 -0.049 0.000 0.850 241 L CB -0.327 41.762 42.059 0.049 0.000 0.966 241 L HN 0.240 nan 8.230 nan 0.000 0.454 242 G N 0.141 108.921 108.800 -0.033 0.000 2.692 242 G HA2 -0.190 3.770 3.960 0.001 0.000 0.686 242 G HA3 -0.190 3.770 3.960 0.001 0.000 0.686 242 G C -0.246 174.659 174.900 0.009 0.000 1.243 242 G CA -0.784 44.343 45.100 0.044 0.000 0.782 242 G HN -0.048 nan 8.290 nan 0.000 0.625 243 T N 4.257 118.867 114.554 0.094 0.000 2.871 243 T HA 0.420 4.771 4.350 0.001 0.000 0.296 243 T C -0.979 173.785 174.700 0.107 0.000 0.998 243 T CA 0.574 62.738 62.100 0.106 0.000 1.162 243 T CB 0.828 69.782 68.868 0.143 0.000 0.947 243 T HN 0.711 nan 8.240 nan 0.000 0.536 244 P HA 0.148 nan 4.420 nan 0.000 0.271 244 P C 0.424 177.841 177.300 0.195 0.000 1.218 244 P CA -0.622 62.561 63.100 0.138 0.000 0.780 244 P CB 0.305 32.105 31.700 0.166 0.000 0.901 245 C N 2.036 121.429 119.300 0.156 0.000 2.700 245 C HA 0.216 4.677 4.460 0.001 0.000 0.397 245 C C -0.973 174.140 174.990 0.205 0.000 1.301 245 C CA -1.270 57.841 59.018 0.155 0.000 2.219 245 C CB -0.642 27.169 27.740 0.118 0.000 2.699 245 C HN 0.414 nan 8.230 nan 0.000 0.669 246 P HA -0.194 nan 4.420 nan 0.000 0.216 246 P C 1.663 179.037 177.300 0.123 0.000 1.157 246 P CA 2.072 65.243 63.100 0.118 0.000 0.880 246 P CB -0.165 31.582 31.700 0.078 0.000 0.791 247 E N -1.938 118.337 120.200 0.125 0.000 2.208 247 E HA -0.258 4.092 4.350 0.001 0.000 0.202 247 E C 1.675 178.373 176.600 0.165 0.000 1.014 247 E CA 0.980 57.452 56.400 0.119 0.000 0.819 247 E CB -0.398 29.373 29.700 0.118 0.000 0.735 247 E HN 0.144 nan 8.360 nan 0.000 0.469 248 F N 0.736 120.715 119.950 0.049 0.000 2.059 248 F HA -0.159 4.369 4.527 0.001 0.000 0.289 248 F C 2.215 178.035 175.800 0.033 0.000 1.128 248 F CA 1.284 59.314 58.000 0.049 0.000 1.181 248 F CB -0.521 38.525 39.000 0.077 0.000 1.012 248 F HN -0.041 nan 8.300 nan 0.000 0.473 249 M N 0.659 120.256 119.600 -0.005 0.000 2.146 249 M HA -0.328 4.153 4.480 0.001 0.000 0.251 249 M C 1.862 178.054 176.300 -0.180 0.000 1.083 249 M CA 1.682 56.903 55.300 -0.133 0.000 1.076 249 M CB -1.695 30.917 32.600 0.021 0.000 1.332 249 M HN 0.139 nan 8.290 nan 0.000 0.400 250 K N 0.729 121.072 120.400 -0.096 0.000 2.362 250 K HA -0.120 4.200 4.320 0.001 0.000 0.202 250 K C 1.707 178.233 176.600 -0.123 0.000 1.045 250 K CA 1.035 57.274 56.287 -0.080 0.000 0.936 250 K CB -0.257 32.226 32.500 -0.029 0.000 0.747 250 K HN 0.564 nan 8.250 nan 0.000 0.467 251 K N 0.063 120.335 120.400 -0.215 0.000 2.393 251 K HA 0.136 4.457 4.320 0.001 0.000 0.193 251 K C 0.700 177.156 176.600 -0.240 0.000 1.026 251 K CA -0.001 56.159 56.287 -0.212 0.000 1.064 251 K CB 0.290 32.653 32.500 -0.229 0.000 0.833 251 K HN 0.012 nan 8.250 nan 0.000 0.521 252 L N 1.938 122.988 121.223 -0.288 0.000 2.399 252 L HA 0.125 4.465 4.340 0.001 0.000 0.266 252 L C 0.567 177.352 176.870 -0.141 0.000 1.114 252 L CA -0.594 54.103 54.840 -0.239 0.000 0.804 252 L CB 0.666 42.556 42.059 -0.281 0.000 1.146 252 L HN 0.081 nan 8.230 nan 0.000 0.451 253 Q N 2.304 122.039 119.800 -0.109 0.000 2.333 253 Q HA -0.073 4.267 4.340 0.001 0.000 0.299 253 Q C -1.533 174.429 176.000 -0.063 0.000 1.067 253 Q CA -0.978 54.782 55.803 -0.071 0.000 0.943 253 Q CB 0.395 29.101 28.738 -0.053 0.000 1.233 253 Q HN 0.351 nan 8.270 nan 0.000 0.401 254 P HA -0.205 nan 4.420 nan 0.000 0.216 254 P C 0.962 178.247 177.300 -0.024 0.000 1.153 254 P CA 1.509 64.588 63.100 -0.035 0.000 0.858 254 P CB 0.213 31.896 31.700 -0.028 0.000 0.789 255 T N -0.759 113.782 114.554 -0.021 0.000 2.643 255 T HA -0.113 4.237 4.350 0.001 0.000 0.264 255 T C 1.831 176.533 174.700 0.004 0.000 1.045 255 T CA 1.455 63.550 62.100 -0.008 0.000 1.155 255 T CB -1.158 67.702 68.868 -0.013 0.000 0.863 255 T HN -0.155 nan 8.240 nan 0.000 0.420 256 V N 1.904 121.809 119.914 -0.015 0.000 2.215 256 V HA -0.297 3.824 4.120 0.001 0.000 0.249 256 V C 2.583 178.675 176.094 -0.002 0.000 1.054 256 V CA 2.392 64.685 62.300 -0.013 0.000 1.012 256 V CB -0.757 31.022 31.823 -0.073 0.000 0.639 256 V HN 0.421 nan 8.190 nan 0.000 0.448 257 R N -0.253 120.211 120.500 -0.060 0.000 2.222 257 R HA -0.308 4.032 4.340 0.001 0.000 0.235 257 R C 2.296 178.592 176.300 -0.007 0.000 1.112 257 R CA 3.093 59.154 56.100 -0.065 0.000 0.897 257 R CB -1.185 29.071 30.300 -0.073 0.000 0.882 257 R HN 0.598 nan 8.270 nan 0.000 0.429 258 T N 0.191 114.753 114.554 0.014 0.000 2.572 258 T HA -0.337 4.013 4.350 0.001 0.000 0.258 258 T C 1.426 176.178 174.700 0.085 0.000 1.154 258 T CA 2.217 64.342 62.100 0.042 0.000 1.157 258 T CB -0.940 67.956 68.868 0.046 0.000 0.856 258 T HN 0.510 nan 8.240 nan 0.000 0.443 259 Y N 2.506 122.792 120.300 -0.023 0.000 2.014 259 Y HA -0.236 4.314 4.550 0.001 0.000 0.270 259 Y C 2.450 178.358 175.900 0.014 0.000 1.145 259 Y CA 1.218 59.312 58.100 -0.009 0.000 1.106 259 Y CB -1.104 37.337 38.460 -0.032 0.000 0.968 259 Y HN 0.052 nan 8.280 nan 0.000 0.484 260 V N 0.955 120.751 119.914 -0.197 0.000 2.280 260 V HA -0.431 3.689 4.120 0.001 0.000 0.258 260 V C 2.295 178.339 176.094 -0.083 0.000 1.081 260 V CA 2.532 64.685 62.300 -0.245 0.000 1.070 260 V CB -0.928 30.796 31.823 -0.165 0.000 0.666 260 V HN 0.522 nan 8.190 nan 0.000 0.450 261 E N -0.230 119.950 120.200 -0.034 0.000 2.208 261 E HA -0.131 4.219 4.350 0.001 0.000 0.193 261 E C 1.929 178.526 176.600 -0.005 0.000 0.988 261 E CA 0.781 57.187 56.400 0.009 0.000 0.828 261 E CB -0.184 29.526 29.700 0.017 0.000 0.763 261 E HN 0.665 nan 8.360 nan 0.000 0.478 262 N N 0.792 119.475 118.700 -0.028 0.000 2.494 262 N HA -0.031 4.709 4.740 0.001 0.000 0.182 262 N C 0.491 175.984 175.510 -0.028 0.000 1.076 262 N CA 0.397 53.444 53.050 -0.005 0.000 0.908 262 N CB 0.201 38.716 38.487 0.047 0.000 0.967 262 N HN 0.010 nan 8.380 nan 0.000 0.449 263 R N 1.523 121.970 120.500 -0.088 0.000 2.827 263 R HA 0.199 4.539 4.340 0.001 0.000 0.269 263 R C -1.949 174.352 176.300 0.002 0.000 1.048 263 R CA -1.269 54.806 56.100 -0.041 0.000 1.173 263 R CB -1.098 29.198 30.300 -0.007 0.000 1.070 263 R HN 0.034 nan 8.270 nan 0.000 0.498 264 P HA 0.126 nan 4.420 nan 0.000 0.274 264 P C -0.586 176.580 177.300 -0.223 0.000 1.237 264 P CA -0.200 62.815 63.100 -0.142 0.000 0.793 264 P CB 0.575 32.136 31.700 -0.232 0.000 0.977 265 K N 1.972 122.226 120.400 -0.244 0.000 2.276 265 K HA 0.250 4.570 4.320 0.001 0.000 0.283 265 K C -0.658 175.709 176.600 -0.388 0.000 1.044 265 K CA 0.078 56.257 56.287 -0.180 0.000 0.944 265 K CB 0.060 32.503 32.500 -0.095 0.000 1.012 265 K HN 0.451 nan 8.250 nan 0.000 0.472 266 Y N 0.328 120.622 120.300 -0.009 0.000 2.334 266 Y HA 0.218 4.769 4.550 0.001 0.000 0.336 266 Y C 1.131 177.034 175.900 0.005 0.000 0.960 266 Y CA -0.499 57.597 58.100 -0.007 0.000 1.164 266 Y CB 1.732 40.165 38.460 -0.045 0.000 1.155 266 Y HN 0.731 nan 8.280 nan 0.000 0.478 267 A N 3.143 126.029 122.820 0.111 0.000 1.933 267 A HA 0.308 4.628 4.320 0.001 0.000 0.218 267 A C 1.396 179.038 177.584 0.096 0.000 1.175 267 A CA 1.444 53.518 52.037 0.062 0.000 0.628 267 A CB -1.006 17.990 19.000 -0.007 0.000 0.814 267 A HN 1.357 nan 8.150 nan 0.000 0.444 268 G N -3.203 105.711 108.800 0.189 0.000 2.707 268 G HA2 0.043 4.003 3.960 0.001 0.000 0.686 268 G HA3 0.043 4.003 3.960 0.001 0.000 0.686 268 G C -0.841 174.221 174.900 0.270 0.000 1.315 268 G CA -0.284 44.946 45.100 0.217 0.000 0.832 268 G HN 0.629 nan 8.290 nan 0.000 0.573 269 Y N 0.431 120.653 120.300 -0.131 0.000 2.425 269 Y HA 0.659 5.210 4.550 0.001 0.000 0.344 269 Y C 1.059 176.836 175.900 -0.205 0.000 0.969 269 Y CA -0.745 57.262 58.100 -0.155 0.000 1.052 269 Y CB 1.993 40.332 38.460 -0.202 0.000 1.215 269 Y HN 1.117 nan 8.280 nan 0.000 0.451 270 S N 1.193 116.898 115.700 0.009 0.000 2.558 270 S HA 0.021 4.492 4.470 0.001 0.000 0.288 270 S C 0.403 174.998 174.600 -0.009 0.000 1.318 270 S CA -0.325 57.905 58.200 0.050 0.000 1.056 270 S CB 0.075 63.319 63.200 0.072 0.000 0.853 270 S HN 0.485 nan 8.310 nan 0.000 0.505 271 F N 1.062 121.056 119.950 0.072 0.000 2.788 271 F HA 0.066 4.594 4.527 0.001 0.000 0.300 271 F C 1.934 177.810 175.800 0.126 0.000 1.229 271 F CA 0.306 58.369 58.000 0.106 0.000 1.446 271 F CB -0.394 38.746 39.000 0.233 0.000 1.118 271 F HN 0.612 nan 8.300 nan 0.000 0.579 272 E N -0.105 120.201 120.200 0.177 0.000 2.251 272 E HA 0.010 4.360 4.350 0.001 0.000 0.194 272 E C 1.812 178.454 176.600 0.069 0.000 0.964 272 E CA 0.511 57.002 56.400 0.152 0.000 0.868 272 E CB -0.122 29.649 29.700 0.118 0.000 0.828 272 E HN 0.408 nan 8.360 nan 0.000 0.481 273 K N 0.643 121.042 120.400 -0.002 0.000 2.262 273 K HA 0.192 4.512 4.320 0.001 0.000 0.200 273 K C 2.275 178.767 176.600 -0.180 0.000 1.049 273 K CA 0.184 56.449 56.287 -0.037 0.000 0.979 273 K CB 0.209 32.721 32.500 0.021 0.000 0.773 273 K HN 0.017 nan 8.250 nan 0.000 0.474 274 L N -0.085 120.917 121.223 -0.368 0.000 2.141 274 L HA -0.059 4.281 4.340 0.001 0.000 0.209 274 L C 0.346 176.515 176.870 -1.169 0.000 1.094 274 L CA 1.079 55.385 54.840 -0.891 0.000 0.763 274 L CB 0.047 41.319 42.059 -1.311 0.000 0.908 274 L HN 0.063 nan 8.230 nan 0.000 0.437 275 F N -0.684 119.281 119.950 0.025 0.000 2.627 275 F HA 0.322 4.849 4.527 0.001 0.000 0.344 275 F C -2.325 173.566 175.800 0.151 0.000 1.505 275 F CA -2.718 55.296 58.000 0.023 0.000 1.111 275 F CB -0.194 38.911 39.000 0.174 0.000 1.585 275 F HN -0.195 nan 8.300 nan 0.000 0.582 276 P HA -0.002 nan 4.420 nan 0.000 0.266 276 P C 0.602 178.038 177.300 0.226 0.000 1.195 276 P CA 0.293 63.493 63.100 0.167 0.000 0.768 276 P CB 1.390 33.127 31.700 0.062 0.000 0.838 277 D N 1.837 122.418 120.400 0.301 0.000 2.248 277 D HA -0.190 4.450 4.640 0.001 0.000 0.189 277 D C 1.915 178.360 176.300 0.242 0.000 1.011 277 D CA 1.757 55.974 54.000 0.362 0.000 0.868 277 D CB -0.793 40.139 40.800 0.221 0.000 0.931 277 D HN 0.175 nan 8.370 nan 0.000 0.449 278 V N 1.574 121.559 119.914 0.119 0.000 2.357 278 V HA -0.295 3.826 4.120 0.001 0.000 0.257 278 V C 2.677 178.780 176.094 0.015 0.000 1.082 278 V CA 1.635 63.971 62.300 0.060 0.000 1.078 278 V CB -0.877 30.962 31.823 0.027 0.000 0.663 278 V HN 0.238 nan 8.190 nan 0.000 0.455 279 L N -2.169 119.010 121.223 -0.073 0.000 2.109 279 L HA 0.026 4.367 4.340 0.001 0.000 0.207 279 L C 1.191 177.904 176.870 -0.261 0.000 1.086 279 L CA 0.739 55.453 54.840 -0.210 0.000 0.760 279 L CB -0.438 41.392 42.059 -0.380 0.000 0.910 279 L HN 0.236 nan 8.230 nan 0.000 0.437 280 F N 0.251 120.199 119.950 -0.003 0.000 2.450 280 F HA 0.244 4.771 4.527 0.001 0.000 0.339 280 F C -1.631 174.099 175.800 -0.116 0.000 1.146 280 F CA -2.621 55.328 58.000 -0.085 0.000 1.267 280 F CB -0.772 38.203 39.000 -0.042 0.000 1.178 280 F HN -0.289 nan 8.300 nan 0.000 0.585 281 P HA 0.051 nan 4.420 nan 0.000 0.267 281 P C -0.920 176.419 177.300 0.066 0.000 1.201 281 P CA -0.196 62.846 63.100 -0.097 0.000 0.775 281 P CB 0.322 31.854 31.700 -0.280 0.000 0.854 282 A N 2.483 125.373 122.820 0.116 0.000 2.584 282 A HA -0.021 4.299 4.320 0.001 0.000 0.239 282 A C -0.088 177.643 177.584 0.245 0.000 1.043 282 A CA 0.319 52.445 52.037 0.148 0.000 0.756 282 A CB -0.768 18.290 19.000 0.098 0.000 0.963 282 A HN 0.530 nan 8.150 nan 0.000 0.511 283 D N 1.959 122.490 120.400 0.218 0.000 2.390 283 D HA 0.382 5.022 4.640 0.001 0.000 0.249 283 D C 0.541 176.900 176.300 0.099 0.000 1.144 283 D CA 0.534 54.656 54.000 0.204 0.000 0.880 283 D CB 0.832 41.719 40.800 0.145 0.000 1.182 283 D HN 0.511 nan 8.370 nan 0.000 0.451 284 S N 1.411 117.140 115.700 0.048 0.000 2.652 284 S HA 0.071 4.541 4.470 0.001 0.000 0.267 284 S C 1.145 175.689 174.600 -0.092 0.000 1.201 284 S CA -0.830 57.285 58.200 -0.142 0.000 0.996 284 S CB 0.566 63.404 63.200 -0.604 0.000 1.054 284 S HN 0.678 nan 8.310 nan 0.000 0.561 285 E N 0.879 120.982 120.200 -0.161 0.000 2.419 285 E HA 0.025 4.376 4.350 0.001 0.000 0.190 285 E C 0.054 176.667 176.600 0.023 0.000 1.040 285 E CA -0.146 56.225 56.400 -0.048 0.000 0.900 285 E CB -0.671 29.000 29.700 -0.048 0.000 1.054 285 E HN 0.895 nan 8.360 nan 0.000 0.462 286 H N -0.621 118.429 119.070 -0.033 0.000 2.676 286 H HA 0.436 4.992 4.556 0.001 0.000 0.352 286 H C 0.288 175.576 175.328 -0.066 0.000 1.193 286 H CA -0.900 55.118 56.048 -0.050 0.000 1.243 286 H CB 0.724 30.451 29.762 -0.060 0.000 1.751 286 H HN -0.062 nan 8.280 nan 0.000 0.567 287 N N 1.023 119.719 118.700 -0.008 0.000 2.378 287 N HA 0.044 4.784 4.740 0.001 0.000 0.243 287 N C -0.078 175.273 175.510 -0.264 0.000 1.137 287 N CA -0.392 52.595 53.050 -0.106 0.000 0.862 287 N CB 0.420 38.859 38.487 -0.080 0.000 1.116 287 N HN 0.542 nan 8.380 nan 0.000 0.499 288 K N 0.279 120.337 120.400 -0.569 0.000 2.103 288 K HA 0.251 4.572 4.320 0.001 0.000 0.215 288 K C 0.319 176.649 176.600 -0.449 0.000 1.027 288 K CA 0.407 56.302 56.287 -0.654 0.000 0.953 288 K CB 0.110 31.955 32.500 -1.092 0.000 0.904 288 K HN 0.058 nan 8.250 nan 0.000 0.454 289 L N 2.673 123.618 121.223 -0.462 0.000 2.314 289 L HA 0.241 4.582 4.340 0.001 0.000 0.275 289 L C -0.588 176.027 176.870 -0.424 0.000 1.068 289 L CA -0.324 54.330 54.840 -0.310 0.000 0.894 289 L CB 0.731 42.621 42.059 -0.280 0.000 1.275 289 L HN 0.120 nan 8.230 nan 0.000 0.432 290 K N 0.903 121.157 120.400 -0.244 0.000 2.123 290 K HA 0.533 4.854 4.320 0.001 0.000 0.259 290 K C 0.907 177.399 176.600 -0.180 0.000 0.960 290 K CA -0.372 55.786 56.287 -0.214 0.000 0.872 290 K CB 2.176 34.627 32.500 -0.082 0.000 1.079 290 K HN 0.473 nan 8.250 nan 0.000 0.440 291 A N 1.460 124.287 122.820 0.013 0.000 1.908 291 A HA -0.205 4.116 4.320 0.001 0.000 0.218 291 A C 2.095 179.397 177.584 -0.471 0.000 1.181 291 A CA 2.312 54.282 52.037 -0.113 0.000 0.627 291 A CB -0.838 18.225 19.000 0.104 0.000 0.818 291 A HN 0.832 nan 8.150 nan 0.000 0.445 292 S N -0.496 115.081 115.700 -0.205 0.000 2.400 292 S HA -0.267 4.203 4.470 0.001 0.000 0.232 292 S C 1.913 176.408 174.600 -0.175 0.000 1.025 292 S CA 1.589 59.693 58.200 -0.160 0.000 0.993 292 S CB -0.476 62.691 63.200 -0.055 0.000 0.808 292 S HN 0.721 nan 8.310 nan 0.000 0.478 293 Q N 1.157 120.860 119.800 -0.162 0.000 2.036 293 Q HA 0.197 4.537 4.340 0.001 0.000 0.195 293 Q C 2.775 178.698 176.000 -0.130 0.000 0.971 293 Q CA 0.979 56.743 55.803 -0.065 0.000 0.826 293 Q CB -0.609 28.137 28.738 0.013 0.000 0.896 293 Q HN 0.669 nan 8.270 nan 0.000 0.449 294 A N 2.047 124.572 122.820 -0.492 0.000 1.940 294 A HA -0.332 3.988 4.320 0.001 0.000 0.221 294 A C 2.073 179.337 177.584 -0.533 0.000 1.190 294 A CA 2.153 53.595 52.037 -0.992 0.000 0.647 294 A CB -0.826 17.227 19.000 -1.578 0.000 0.821 294 A HN 0.348 nan 8.150 nan 0.000 0.457 295 R N -0.380 119.797 120.500 -0.538 0.000 2.096 295 R HA -0.253 4.087 4.340 0.001 0.000 0.240 295 R C 1.914 178.132 176.300 -0.136 0.000 1.139 295 R CA 2.319 58.275 56.100 -0.240 0.000 0.952 295 R CB -0.610 29.596 30.300 -0.155 0.000 0.854 295 R HN 0.538 nan 8.270 nan 0.000 0.436 296 D N 0.012 120.354 120.400 -0.097 0.000 2.104 296 D HA -0.198 4.442 4.640 0.001 0.000 0.194 296 D C 1.891 178.111 176.300 -0.134 0.000 0.994 296 D CA 1.138 55.117 54.000 -0.034 0.000 0.830 296 D CB -0.092 40.777 40.800 0.116 0.000 0.959 296 D HN 0.218 nan 8.370 nan 0.000 0.452 297 L N 0.132 121.171 121.223 -0.307 0.000 2.189 297 L HA -0.113 4.227 4.340 0.001 0.000 0.214 297 L C 1.850 178.515 176.870 -0.342 0.000 1.097 297 L CA 1.385 55.842 54.840 -0.639 0.000 0.764 297 L CB -0.273 41.347 42.059 -0.731 0.000 0.900 297 L HN 0.228 nan 8.230 nan 0.000 0.436 298 L N -1.444 119.610 121.223 -0.282 0.000 2.049 298 L HA -0.107 4.233 4.340 0.001 0.000 0.203 298 L C 2.600 179.300 176.870 -0.284 0.000 1.074 298 L CA 1.159 55.854 54.840 -0.242 0.000 0.749 298 L CB -0.875 41.018 42.059 -0.277 0.000 0.907 298 L HN 0.436 nan 8.230 nan 0.000 0.439 299 S N -0.256 115.173 115.700 -0.452 0.000 2.440 299 S HA -0.228 4.242 4.470 0.001 0.000 0.240 299 S C 1.799 176.128 174.600 -0.452 0.000 1.014 299 S CA 1.248 58.927 58.200 -0.869 0.000 0.980 299 S CB -0.297 62.533 63.200 -0.615 0.000 0.775 299 S HN 0.411 nan 8.310 nan 0.000 0.499 300 K N -0.171 120.082 120.400 -0.244 0.000 2.308 300 K HA 0.322 4.642 4.320 0.001 0.000 0.197 300 K C 2.012 178.583 176.600 -0.048 0.000 1.049 300 K CA 0.635 56.855 56.287 -0.112 0.000 0.991 300 K CB -0.082 32.381 32.500 -0.063 0.000 0.836 300 K HN 0.420 nan 8.250 nan 0.000 0.500 301 M N 0.577 120.136 119.600 -0.069 0.000 2.357 301 M HA 0.037 4.518 4.480 0.001 0.000 0.266 301 M C 0.688 177.035 176.300 0.079 0.000 1.095 301 M CA 0.892 56.196 55.300 0.007 0.000 1.156 301 M CB 0.259 32.830 32.600 -0.048 0.000 1.365 301 M HN -0.057 nan 8.290 nan 0.000 0.447 302 L N 1.938 123.183 121.223 0.037 0.000 2.480 302 L HA 0.203 4.544 4.340 0.001 0.000 0.243 302 L C -0.926 176.151 176.870 0.346 0.000 1.315 302 L CA -0.591 54.306 54.840 0.096 0.000 1.231 302 L CB -0.638 41.536 42.059 0.191 0.000 1.444 302 L HN -0.053 nan 8.230 nan 0.000 0.409 303 V N 1.342 121.504 119.914 0.414 0.000 2.417 303 V HA 0.243 4.363 4.120 0.001 0.000 0.291 303 V C 1.337 177.615 176.094 0.307 0.000 1.024 303 V CA -0.501 61.982 62.300 0.305 0.000 0.861 303 V CB 2.227 34.148 31.823 0.164 0.000 0.985 303 V HN 0.432 nan 8.190 nan 0.000 0.436 304 I N 0.990 121.644 120.570 0.140 0.000 2.286 304 I HA -0.107 4.063 4.170 0.001 0.000 0.248 304 I C 1.168 177.098 176.117 -0.312 0.000 1.115 304 I CA 1.283 62.497 61.300 -0.143 0.000 1.392 304 I CB 0.062 37.894 38.000 -0.279 0.000 1.065 304 I HN 0.675 nan 8.210 nan 0.000 0.418 305 D N 1.689 121.942 120.400 -0.246 0.000 2.416 305 D HA 0.186 4.826 4.640 0.001 0.000 0.240 305 D C 1.299 177.639 176.300 0.067 0.000 1.250 305 D CA 0.300 54.233 54.000 -0.113 0.000 0.967 305 D CB 1.108 41.894 40.800 -0.023 0.000 1.059 305 D HN 0.195 nan 8.370 nan 0.000 0.512 306 A N 3.144 126.033 122.820 0.114 0.000 2.030 306 A HA -0.356 3.964 4.320 0.001 0.000 0.226 306 A C 2.186 179.841 177.584 0.118 0.000 1.282 306 A CA 2.786 54.896 52.037 0.121 0.000 0.691 306 A CB -0.444 18.639 19.000 0.139 0.000 0.829 306 A HN 0.610 nan 8.150 nan 0.000 0.497 307 S N -0.584 115.188 115.700 0.120 0.000 2.315 307 S HA -0.050 4.420 4.470 0.001 0.000 0.211 307 S C 1.556 176.210 174.600 0.090 0.000 1.029 307 S CA 0.916 59.176 58.200 0.100 0.000 0.956 307 S CB -0.573 62.687 63.200 0.100 0.000 0.918 307 S HN 0.556 nan 8.310 nan 0.000 0.470 308 K N 1.437 121.888 120.400 0.086 0.000 2.641 308 K HA -0.020 4.300 4.320 0.001 0.000 0.195 308 K C 1.193 177.838 176.600 0.075 0.000 1.041 308 K CA 0.295 56.626 56.287 0.073 0.000 0.937 308 K CB -0.236 32.303 32.500 0.066 0.000 0.779 308 K HN 0.332 nan 8.250 nan 0.000 0.492 309 R N 0.898 121.452 120.500 0.091 0.000 2.697 309 R HA 0.314 4.654 4.340 0.001 0.000 0.262 309 R C -0.015 176.337 176.300 0.087 0.000 1.255 309 R CA -0.374 55.788 56.100 0.103 0.000 1.136 309 R CB 0.428 30.813 30.300 0.142 0.000 1.169 309 R HN 0.091 nan 8.270 nan 0.000 0.594 310 I N 1.236 121.858 120.570 0.087 0.000 2.377 310 I HA 0.228 4.399 4.170 0.001 0.000 0.293 310 I C 0.040 176.214 176.117 0.095 0.000 0.987 310 I CA -0.388 60.960 61.300 0.079 0.000 1.185 310 I CB 1.593 39.626 38.000 0.055 0.000 1.341 310 I HN 0.831 nan 8.210 nan 0.000 0.455 311 S N 5.592 121.350 115.700 0.097 0.000 2.633 311 S HA 0.165 4.636 4.470 0.001 0.000 0.257 311 S C 1.189 175.861 174.600 0.120 0.000 1.265 311 S CA -0.191 58.075 58.200 0.112 0.000 0.980 311 S CB 1.209 64.470 63.200 0.102 0.000 1.017 311 S HN 0.566 nan 8.310 nan 0.000 0.577 312 V N 1.159 121.159 119.914 0.144 0.000 2.255 312 V HA -0.113 4.007 4.120 0.001 0.000 0.243 312 V C 2.242 178.399 176.094 0.105 0.000 1.038 312 V CA 2.163 64.535 62.300 0.120 0.000 1.008 312 V CB -1.669 30.241 31.823 0.144 0.000 0.645 312 V HN 0.861 nan 8.190 nan 0.000 0.449 313 D N 0.617 121.089 120.400 0.120 0.000 2.116 313 D HA -0.204 4.437 4.640 0.001 0.000 0.193 313 D C 2.094 178.484 176.300 0.149 0.000 0.998 313 D CA 1.656 55.739 54.000 0.139 0.000 0.836 313 D CB -0.349 40.530 40.800 0.131 0.000 0.951 313 D HN 0.577 nan 8.370 nan 0.000 0.449 314 E N 0.343 120.619 120.200 0.126 0.000 2.204 314 E HA -0.131 4.219 4.350 0.001 0.000 0.195 314 E C 2.049 178.742 176.600 0.155 0.000 0.990 314 E CA 0.903 57.379 56.400 0.127 0.000 0.821 314 E CB -0.118 29.645 29.700 0.105 0.000 0.750 314 E HN 0.342 nan 8.360 nan 0.000 0.477 315 A N 1.071 123.973 122.820 0.137 0.000 1.930 315 A HA -0.041 4.279 4.320 0.001 0.000 0.215 315 A C 2.102 179.803 177.584 0.196 0.000 1.176 315 A CA 0.595 52.710 52.037 0.129 0.000 0.632 315 A CB -0.301 18.742 19.000 0.071 0.000 0.819 315 A HN 0.123 nan 8.150 nan 0.000 0.445 316 L N -0.452 120.888 121.223 0.195 0.000 2.478 316 L HA -0.084 4.256 4.340 0.001 0.000 0.223 316 L C 1.990 179.078 176.870 0.363 0.000 1.140 316 L CA 0.511 55.516 54.840 0.276 0.000 0.842 316 L CB -0.221 41.970 42.059 0.221 0.000 0.953 316 L HN 0.396 nan 8.230 nan 0.000 0.452 317 Q N -1.449 118.511 119.800 0.266 0.000 2.392 317 Q HA 0.030 4.370 4.340 0.001 0.000 0.203 317 Q C 0.276 176.372 176.000 0.160 0.000 0.917 317 Q CA 0.165 56.081 55.803 0.188 0.000 0.939 317 Q CB -0.115 28.694 28.738 0.120 0.000 1.063 317 Q HN 0.449 nan 8.270 nan 0.000 0.516 318 H N 3.192 122.331 119.070 0.114 0.000 2.848 318 H HA 0.009 4.565 4.556 0.001 0.000 0.341 318 H C -1.236 174.141 175.328 0.082 0.000 1.060 318 H CA -0.985 55.116 56.048 0.089 0.000 1.444 318 H CB 1.127 30.953 29.762 0.106 0.000 1.446 318 H HN -0.126 nan 8.280 nan 0.000 0.583 319 P HA -0.296 nan 4.420 nan 0.000 0.216 319 P C 1.086 178.385 177.300 -0.003 0.000 1.157 319 P CA 1.579 64.582 63.100 -0.163 0.000 0.880 319 P CB -0.135 31.407 31.700 -0.263 0.000 0.791 320 Y N -0.041 120.315 120.300 0.094 0.000 2.716 320 Y HA -0.062 4.488 4.550 0.001 0.000 0.302 320 Y C 1.926 177.925 175.900 0.165 0.000 1.160 320 Y CA 0.797 58.982 58.100 0.141 0.000 1.362 320 Y CB -0.323 38.282 38.460 0.241 0.000 0.988 320 Y HN -0.105 nan 8.280 nan 0.000 0.546 321 I N -2.052 118.621 120.570 0.171 0.000 4.193 321 I HA -0.108 4.062 4.170 0.001 0.000 0.287 321 I C 1.954 178.158 176.117 0.146 0.000 1.175 321 I CA 0.240 61.676 61.300 0.227 0.000 1.320 321 I CB -0.930 37.309 38.000 0.399 0.000 1.523 321 I HN 0.053 nan 8.210 nan 0.000 0.450 322 N N 2.497 121.284 118.700 0.145 0.000 2.182 322 N HA -0.170 4.571 4.740 0.001 0.000 0.192 322 N C 1.848 177.327 175.510 -0.052 0.000 1.007 322 N CA 1.850 54.988 53.050 0.146 0.000 0.873 322 N CB 0.063 38.596 38.487 0.076 0.000 0.998 322 N HN 0.344 nan 8.380 nan 0.000 0.436 323 V N -2.601 117.119 119.914 -0.324 0.000 3.244 323 V HA -0.135 3.985 4.120 0.001 0.000 0.273 323 V C 0.981 176.662 176.094 -0.688 0.000 1.180 323 V CA 1.252 63.191 62.300 -0.602 0.000 1.182 323 V CB -1.319 29.931 31.823 -0.956 0.000 0.796 323 V HN 0.358 nan 8.190 nan 0.000 0.543 324 W N -2.904 118.232 121.300 -0.273 0.000 2.555 324 W HA 0.419 5.079 4.660 0.001 0.000 0.324 324 W C 0.795 177.048 176.519 -0.444 0.000 0.973 324 W CA -1.045 56.007 57.345 -0.487 0.000 1.481 324 W CB 0.050 28.953 29.460 -0.928 0.000 1.064 324 W HN 0.134 nan 8.180 nan 0.000 0.543 325 Y N 3.594 123.865 120.300 -0.048 0.000 2.993 325 Y HA -0.089 4.462 4.550 0.001 0.000 0.340 325 Y C 0.359 176.370 175.900 0.184 0.000 1.273 325 Y CA 1.236 59.461 58.100 0.209 0.000 1.545 325 Y CB 0.393 38.956 38.460 0.171 0.000 1.275 325 Y HN -0.155 nan 8.280 nan 0.000 0.617 326 D N 7.137 127.676 120.400 0.231 0.000 2.548 326 D HA 0.168 4.809 4.640 0.001 0.000 0.214 326 D C -2.362 174.034 176.300 0.160 0.000 1.345 326 D CA -1.486 52.659 54.000 0.243 0.000 0.945 326 D CB 2.042 42.944 40.800 0.170 0.000 1.499 326 D HN 0.189 nan 8.370 nan 0.000 0.579 327 P HA -0.197 nan 4.420 nan 0.000 0.218 327 P C 1.388 178.766 177.300 0.130 0.000 1.152 327 P CA 1.561 64.812 63.100 0.252 0.000 0.857 327 P CB 0.215 32.048 31.700 0.222 0.000 0.787 328 S N -0.876 114.882 115.700 0.096 0.000 2.474 328 S HA -0.151 4.319 4.470 0.001 0.000 0.235 328 S C 1.543 176.159 174.600 0.027 0.000 0.997 328 S CA 1.149 59.383 58.200 0.055 0.000 0.949 328 S CB -0.926 62.295 63.200 0.036 0.000 0.766 328 S HN 0.435 nan 8.310 nan 0.000 0.517 329 E N 0.087 120.307 120.200 0.034 0.000 2.485 329 E HA 0.510 4.860 4.350 0.001 0.000 0.213 329 E C 1.711 178.380 176.600 0.116 0.000 0.923 329 E CA 0.383 56.812 56.400 0.049 0.000 1.054 329 E CB -0.064 29.648 29.700 0.021 0.000 1.077 329 E HN 0.456 nan 8.360 nan 0.000 0.509 330 A N 2.232 125.033 122.820 -0.031 0.000 1.896 330 A HA 0.042 4.363 4.320 0.001 0.000 0.213 330 A C 1.723 179.325 177.584 0.030 0.000 1.306 330 A CA 0.429 52.395 52.037 -0.119 0.000 0.626 330 A CB -0.294 18.434 19.000 -0.454 0.000 0.994 330 A HN 0.094 nan 8.150 nan 0.000 0.475 331 E N 0.996 121.250 120.200 0.091 0.000 2.438 331 E HA 0.314 4.665 4.350 0.001 0.000 0.192 331 E C 0.454 177.132 176.600 0.129 0.000 1.110 331 E CA -0.085 56.398 56.400 0.138 0.000 0.893 331 E CB -0.273 29.536 29.700 0.181 0.000 0.990 331 E HN 0.563 nan 8.360 nan 0.000 0.490 332 A N 3.291 126.199 122.820 0.145 0.000 2.520 332 A HA 0.067 4.387 4.320 0.001 0.000 0.235 332 A C -1.906 175.804 177.584 0.210 0.000 1.065 332 A CA -1.034 51.109 52.037 0.178 0.000 0.764 332 A CB -0.206 18.945 19.000 0.252 0.000 1.002 332 A HN 0.021 nan 8.150 nan 0.000 0.502 333 P HA 0.107 nan 4.420 nan 0.000 0.260 333 P C -2.440 174.979 177.300 0.200 0.000 1.207 333 P CA -0.654 62.537 63.100 0.150 0.000 0.780 333 P CB -0.224 31.544 31.700 0.113 0.000 0.789 334 P HA 0.052 nan 4.420 nan 0.000 0.266 334 P C -2.212 175.054 177.300 -0.056 0.000 1.193 334 P CA -0.893 62.139 63.100 -0.114 0.000 0.770 334 P CB -0.677 30.968 31.700 -0.091 0.000 0.836 335 P HA 0.235 nan 4.420 nan 0.000 0.275 335 P C -0.476 176.801 177.300 -0.040 0.000 1.228 335 P CA -0.144 62.936 63.100 -0.034 0.000 0.786 335 P CB 1.010 32.676 31.700 -0.057 0.000 0.927 336 K N 2.232 122.627 120.400 -0.008 0.000 2.156 336 K HA 0.497 4.817 4.320 0.001 0.000 0.271 336 K C -0.151 176.443 176.600 -0.011 0.000 0.995 336 K CA -0.654 55.628 56.287 -0.007 0.000 0.890 336 K CB 0.805 33.309 32.500 0.007 0.000 1.073 336 K HN 0.411 nan 8.250 nan 0.000 0.454 337 I N 4.016 124.581 120.570 -0.008 0.000 2.608 337 I HA 0.217 4.387 4.170 0.001 0.000 0.295 337 I C -1.122 175.006 176.117 0.017 0.000 1.049 337 I CA -2.292 59.008 61.300 0.000 0.000 1.063 337 I CB 0.950 38.949 38.000 -0.003 0.000 1.248 337 I HN 0.536 nan 8.210 nan 0.000 0.424 338 P HA -0.099 nan 4.420 nan 0.000 0.211 338 P C -0.236 177.090 177.300 0.043 0.000 1.179 338 P CA 1.928 65.051 63.100 0.038 0.000 0.910 338 P CB 0.338 32.069 31.700 0.052 0.000 0.785 339 D N -3.754 116.681 120.400 0.059 0.000 4.365 339 D HA -0.064 4.577 4.640 0.001 0.000 0.141 339 D C 0.024 176.378 176.300 0.090 0.000 0.466 339 D CA -0.271 53.766 54.000 0.060 0.000 0.609 339 D CB -1.653 39.176 40.800 0.048 0.000 1.660 339 D HN 0.344 nan 8.370 nan 0.000 0.093 340 K N 1.685 122.161 120.400 0.126 0.000 3.141 340 K HA 0.339 4.660 4.320 0.001 0.000 0.248 340 K C 0.322 177.062 176.600 0.233 0.000 1.282 340 K CA -0.307 56.100 56.287 0.200 0.000 1.251 340 K CB -0.095 32.568 32.500 0.272 0.000 1.533 340 K HN 0.439 nan 8.250 nan 0.000 0.409 341 Q N -0.741 119.157 119.800 0.163 0.000 1.215 341 Q HA 0.062 4.403 4.340 0.001 0.000 0.124 341 Q C -0.438 175.618 176.000 0.094 0.000 0.623 341 Q CA -0.349 55.545 55.803 0.151 0.000 0.593 341 Q CB -0.692 28.126 28.738 0.134 0.000 1.044 341 Q HN 0.224 nan 8.270 nan 0.000 0.319 342 L N 4.104 125.370 121.223 0.071 0.000 2.565 342 L HA 0.174 4.515 4.340 0.001 0.000 0.275 342 L C -0.360 176.535 176.870 0.041 0.000 1.137 342 L CA 0.813 55.679 54.840 0.045 0.000 0.915 342 L CB -0.262 41.817 42.059 0.034 0.000 1.232 342 L HN 0.257 nan 8.230 nan 0.000 0.473 343 D N 1.060 121.479 120.400 0.032 0.000 4.510 343 D HA -0.224 4.417 4.640 0.001 0.000 0.134 343 D C -0.001 176.318 176.300 0.032 0.000 0.756 343 D CA 1.278 55.290 54.000 0.021 0.000 1.077 343 D CB -0.364 40.446 40.800 0.016 0.000 0.597 343 D HN 0.634 nan 8.370 nan 0.000 0.579 344 E N 1.145 121.364 120.200 0.032 0.000 2.354 344 E HA 0.573 4.923 4.350 0.001 0.000 0.269 344 E C -0.112 176.517 176.600 0.050 0.000 1.036 344 E CA 0.084 56.507 56.400 0.038 0.000 0.876 344 E CB 1.335 31.052 29.700 0.027 0.000 1.009 344 E HN 0.274 nan 8.360 nan 0.000 0.416 345 R N 1.944 122.484 120.500 0.066 0.000 2.736 345 R HA 0.177 4.517 4.340 0.001 0.000 0.250 345 R C -2.203 174.173 176.300 0.127 0.000 1.098 345 R CA -0.374 55.783 56.100 0.094 0.000 0.978 345 R CB 1.038 31.462 30.300 0.207 0.000 1.263 345 R HN 0.790 nan 8.270 nan 0.000 0.460 346 E N 1.564 121.752 120.200 -0.021 0.000 2.412 346 E HA 0.336 4.687 4.350 0.001 0.000 0.283 346 E C -1.501 174.795 176.600 -0.506 0.000 1.160 346 E CA -0.773 55.660 56.400 0.055 0.000 0.918 346 E CB 0.744 30.494 29.700 0.084 0.000 1.194 346 E HN 0.689 nan 8.360 nan 0.000 0.428 347 H N 0.012 118.821 119.070 -0.435 0.000 4.181 347 H HA 0.764 5.321 4.556 0.001 0.000 0.406 347 H C -0.822 174.264 175.328 -0.405 0.000 1.526 347 H CA 0.115 55.793 56.048 -0.615 0.000 1.012 347 H CB 1.334 30.396 29.762 -1.166 0.000 1.221 347 H HN 0.731 nan 8.280 nan 0.000 0.765 348 T N -0.066 114.329 114.554 -0.265 0.000 3.109 348 T HA 0.452 4.802 4.350 0.001 0.000 0.311 348 T C 0.857 175.520 174.700 -0.060 0.000 1.011 348 T CA -0.317 61.727 62.100 -0.093 0.000 1.026 348 T CB 0.367 69.198 68.868 -0.063 0.000 1.047 348 T HN 0.909 nan 8.240 nan 0.000 0.448 349 I N -0.432 120.189 120.570 0.085 0.000 4.900 349 I HA -0.442 3.728 4.170 0.001 0.000 0.039 349 I C 1.914 178.013 176.117 -0.030 0.000 0.635 349 I CA 1.739 63.078 61.300 0.065 0.000 0.242 349 I CB -1.408 36.588 38.000 -0.007 0.000 0.337 349 I HN 0.605 nan 8.210 nan 0.000 0.152 350 E N 1.088 121.223 120.200 -0.108 0.000 2.197 350 E HA -0.277 4.073 4.350 0.001 0.000 0.205 350 E C 1.963 178.500 176.600 -0.105 0.000 1.029 350 E CA 2.479 58.793 56.400 -0.144 0.000 0.828 350 E CB -0.489 29.145 29.700 -0.110 0.000 0.737 350 E HN 0.731 nan 8.360 nan 0.000 0.464 351 E N -0.446 119.681 120.200 -0.120 0.000 2.023 351 E HA -0.202 4.148 4.350 0.001 0.000 0.196 351 E C 2.140 178.650 176.600 -0.149 0.000 1.003 351 E CA 1.292 57.587 56.400 -0.176 0.000 0.809 351 E CB -0.421 29.112 29.700 -0.279 0.000 0.755 351 E HN 0.395 nan 8.360 nan 0.000 0.449 352 W N 1.444 122.649 121.300 -0.158 0.000 2.298 352 W HA -0.275 4.386 4.660 0.001 0.000 0.328 352 W C 2.626 179.136 176.519 -0.016 0.000 1.259 352 W CA 1.212 58.457 57.345 -0.167 0.000 1.251 352 W CB -0.287 29.134 29.460 -0.065 0.000 1.161 352 W HN 0.076 nan 8.180 nan 0.000 0.466 353 K N 0.605 121.145 120.400 0.232 0.000 2.148 353 K HA -0.370 3.950 4.320 0.001 0.000 0.213 353 K C 1.862 178.675 176.600 0.355 0.000 1.050 353 K CA 2.385 58.758 56.287 0.142 0.000 0.932 353 K CB -0.382 31.820 32.500 -0.498 0.000 0.717 353 K HN 0.315 nan 8.250 nan 0.000 0.462 354 E N 0.111 120.422 120.200 0.185 0.000 2.030 354 E HA -0.088 4.262 4.350 0.001 0.000 0.189 354 E C 2.143 178.866 176.600 0.206 0.000 0.974 354 E CA 0.658 57.172 56.400 0.191 0.000 0.807 354 E CB -0.084 29.661 29.700 0.075 0.000 0.771 354 E HN 0.328 nan 8.360 nan 0.000 0.451 355 L N 0.996 122.287 121.223 0.112 0.000 2.137 355 L HA -0.253 4.087 4.340 0.001 0.000 0.213 355 L C 2.466 179.525 176.870 0.315 0.000 1.085 355 L CA 1.096 55.991 54.840 0.091 0.000 0.760 355 L CB -0.494 41.446 42.059 -0.199 0.000 0.893 355 L HN 0.328 nan 8.230 nan 0.000 0.434 356 I N -1.711 119.104 120.570 0.408 0.000 2.260 356 I HA -0.280 3.891 4.170 0.001 0.000 0.237 356 I C 2.463 178.779 176.117 0.331 0.000 1.075 356 I CA 0.955 62.558 61.300 0.505 0.000 1.376 356 I CB -0.361 37.999 38.000 0.600 0.000 1.107 356 I HN 0.098 nan 8.210 nan 0.000 0.420 357 Y N 2.433 122.844 120.300 0.185 0.000 2.446 357 Y HA -0.354 4.196 4.550 0.001 0.000 0.287 357 Y C 2.400 178.218 175.900 -0.137 0.000 1.159 357 Y CA 2.261 60.190 58.100 -0.285 0.000 1.297 357 Y CB -0.490 37.748 38.460 -0.369 0.000 0.974 357 Y HN 0.083 nan 8.280 nan 0.000 0.557 358 K N 0.232 120.654 120.400 0.036 0.000 2.099 358 K HA 0.027 4.347 4.320 0.001 0.000 0.203 358 K C 1.826 178.419 176.600 -0.012 0.000 1.047 358 K CA 1.169 57.450 56.287 -0.009 0.000 0.963 358 K CB -0.885 31.668 32.500 0.088 0.000 0.759 358 K HN 0.356 nan 8.250 nan 0.000 0.451 359 E N 0.529 120.784 120.200 0.092 0.000 2.463 359 E HA -0.055 4.296 4.350 0.001 0.000 0.201 359 E C 1.312 177.913 176.600 0.001 0.000 1.045 359 E CA 0.933 57.377 56.400 0.075 0.000 0.872 359 E CB -0.273 29.511 29.700 0.140 0.000 0.797 359 E HN 0.281 nan 8.360 nan 0.000 0.538 360 V N -0.034 119.846 119.914 -0.056 0.000 3.307 360 V HA -0.035 4.085 4.120 0.001 0.000 0.253 360 V C 1.774 177.795 176.094 -0.122 0.000 1.149 360 V CA 0.525 62.775 62.300 -0.082 0.000 1.112 360 V CB -0.126 31.627 31.823 -0.116 0.000 0.777 360 V HN 0.297 nan 8.190 nan 0.000 0.464 361 M N 1.180 120.667 119.600 -0.189 0.000 2.111 361 M HA -0.067 4.413 4.480 0.001 0.000 0.257 361 M C 2.010 178.271 176.300 -0.065 0.000 1.096 361 M CA 1.769 56.971 55.300 -0.163 0.000 1.117 361 M CB -1.571 30.908 32.600 -0.201 0.000 1.265 361 M HN 0.514 nan 8.290 nan 0.000 0.427 362 D N 0.537 120.910 120.400 -0.045 0.000 2.429 362 D HA -0.094 4.547 4.640 0.001 0.000 0.230 362 D C 0.532 176.830 176.300 -0.003 0.000 1.005 362 D CA 0.606 54.596 54.000 -0.016 0.000 0.963 362 D CB -0.146 40.650 40.800 -0.008 0.000 0.872 362 D HN 0.149 nan 8.370 nan 0.000 0.524 363 L N 0.000 121.222 121.223 -0.002 0.000 2.949 363 L HA 0.000 4.340 4.340 0.001 0.000 0.249 363 L CA 0.000 54.850 54.840 0.017 0.000 0.813 363 L CB 0.000 42.066 42.059 0.011 0.000 0.961 363 L HN 0.000 nan 8.230 nan 0.000 0.502