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 3c87_1_A DATA FIRST_RESID 4 DATA SEQUENCE LKVGSESWWQ SKHGPEWQRL NDEXFEVTFW WRDPQGSEEY STIKRVWVYI DATA SEQUENCE TGVTDHXXNS QPQSXQRIAG TDVWQWTTQL NANWRGSYCF IPTERDDIFS DATA SEQUENCE APXPDRLELR EGWRKLLPQA IADPLNPQSW KGGLGHAVSA LEXPQAPLQP DATA SEQUENCE GWDCPQAPEI PAKEIIWKSE RLKNSRRVWI FTTGDVTAEE RPLAVLLDGE DATA SEQUENCE FWAQSXPVWP VLTSLTHRQQ LPPAVYVLID AIDTTHRAHE LPCNADFWLA DATA SEQUENCE VQQELLPLVK VIAPFSDRAD RTVVAGQSFG GLSALYAGLH WPERFGCVLS DATA SEQUENCE QSGSYWWPHR XXQQEGVLLE KLKAGEVSAE GLRIVLEAGI REPXIXRANQ DATA SEQUENCE ALYAQLHPIK ESIFWRQVDG GHDALCWRGG LXQGLIDLWQ PLF 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 4 L HA 0.000 nan 4.340 nan 0.000 0.249 4 L C 0.000 176.909 176.870 0.065 0.000 1.165 4 L CA 0.000 54.899 54.840 0.098 0.000 0.813 4 L CB 0.000 42.080 42.059 0.035 0.000 0.961 5 K N 3.143 123.544 120.400 0.001 0.000 2.363 5 K HA 0.297 4.615 4.320 -0.004 0.000 0.289 5 K C 0.051 176.459 176.600 -0.320 0.000 1.063 5 K CA -0.006 56.212 56.287 -0.115 0.000 0.967 5 K CB 0.598 33.047 32.500 -0.085 0.000 0.987 5 K HN 0.247 nan 8.250 nan 0.000 0.473 6 V N 2.346 121.884 119.914 -0.627 0.000 2.584 6 V HA 0.179 4.297 4.120 -0.004 0.000 0.303 6 V C 1.039 176.497 176.094 -1.059 0.000 1.035 6 V CA 0.743 62.177 62.300 -1.444 0.000 1.172 6 V CB 0.187 31.322 31.823 -1.147 0.000 0.896 6 V HN 1.078 nan 8.190 nan 0.000 0.486 7 G N 2.828 110.838 108.800 -1.317 0.000 2.195 7 G HA2 -0.216 3.741 3.960 -0.004 0.000 0.246 7 G HA3 -0.216 3.741 3.960 -0.004 0.000 0.246 7 G C 0.362 175.308 174.900 0.077 0.000 0.984 7 G CA 0.536 45.378 45.100 -0.430 0.000 0.633 7 G HN 1.976 nan 8.290 nan 0.000 0.525 8 S N -0.185 115.529 115.700 0.022 0.000 2.632 8 S HA 0.626 5.094 4.470 -0.004 0.000 0.267 8 S C 1.139 175.926 174.600 0.313 0.000 1.276 8 S CA 0.290 58.580 58.200 0.150 0.000 0.998 8 S CB 1.930 65.169 63.200 0.064 0.000 0.953 8 S HN 0.098 nan 8.310 nan 0.000 0.547 9 E N 1.243 121.586 120.200 0.238 0.000 2.097 9 E HA -0.144 4.204 4.350 -0.004 0.000 0.196 9 E C 2.339 179.062 176.600 0.205 0.000 1.000 9 E CA 1.868 58.409 56.400 0.235 0.000 0.804 9 E CB -0.636 29.138 29.700 0.123 0.000 0.740 9 E HN 0.836 nan 8.360 nan 0.000 0.454 10 S N -0.392 115.393 115.700 0.143 0.000 2.383 10 S HA -0.160 4.308 4.470 -0.004 0.000 0.227 10 S C 1.860 176.504 174.600 0.074 0.000 1.026 10 S CA 0.917 59.171 58.200 0.089 0.000 0.981 10 S CB -0.891 62.346 63.200 0.061 0.000 0.818 10 S HN 0.416 nan 8.310 nan 0.000 0.472 11 W N 1.425 122.656 121.300 -0.116 0.000 2.335 11 W HA -0.070 4.587 4.660 -0.004 0.000 0.311 11 W C 1.755 178.077 176.519 -0.328 0.000 1.213 11 W CA 1.230 58.415 57.345 -0.267 0.000 1.274 11 W CB -0.602 28.636 29.460 -0.371 0.000 1.148 11 W HN 0.293 nan 8.180 nan 0.000 0.498 12 W N 0.101 121.448 121.300 0.079 0.000 2.374 12 W HA -0.200 4.457 4.660 -0.004 0.000 0.288 12 W C 2.592 178.940 176.519 -0.286 0.000 1.218 12 W CA 1.198 58.468 57.345 -0.125 0.000 1.245 12 W CB -0.669 28.814 29.460 0.040 0.000 1.126 12 W HN -0.105 nan 8.180 nan 0.000 0.545 13 Q N -0.012 119.797 119.800 0.016 0.000 2.369 13 Q HA -0.122 4.216 4.340 -0.004 0.000 0.206 13 Q C 2.123 177.993 176.000 -0.217 0.000 0.963 13 Q CA 1.545 57.308 55.803 -0.066 0.000 0.894 13 Q CB -0.270 28.475 28.738 0.012 0.000 0.965 13 Q HN 0.332 nan 8.270 nan 0.000 0.475 14 S N -0.376 115.127 115.700 -0.328 0.000 2.603 14 S HA 0.074 4.542 4.470 -0.004 0.000 0.220 14 S C 0.335 174.609 174.600 -0.545 0.000 0.967 14 S CA -0.137 57.847 58.200 -0.360 0.000 0.920 14 S CB 0.224 63.192 63.200 -0.388 0.000 0.773 14 S HN -0.047 nan 8.310 nan 0.000 0.529 15 K N 2.249 122.226 120.400 -0.705 0.000 2.339 15 K HA 0.293 4.611 4.320 -0.004 0.000 0.264 15 K C -0.765 175.513 176.600 -0.537 0.000 0.986 15 K CA -0.384 55.549 56.287 -0.589 0.000 0.866 15 K CB 0.901 33.055 32.500 -0.578 0.000 1.103 15 K HN 0.390 nan 8.250 nan 0.000 0.441 16 H N 1.137 120.225 119.070 0.031 0.000 2.587 16 H HA 0.270 4.824 4.556 -0.004 0.000 0.245 16 H C 0.792 176.238 175.328 0.196 0.000 1.238 16 H CA -0.096 56.017 56.048 0.109 0.000 0.963 16 H CB 0.972 30.768 29.762 0.058 0.000 1.904 16 H HN 0.986 nan 8.280 nan 0.000 0.584 17 G N 1.538 110.544 108.800 0.343 0.000 2.409 17 G HA2 -0.174 3.784 3.960 -0.004 0.000 0.421 17 G HA3 -0.174 3.784 3.960 -0.004 0.000 0.421 17 G C -2.917 172.245 174.900 0.438 0.000 1.259 17 G CA -1.310 44.055 45.100 0.441 0.000 1.011 17 G HN 0.070 nan 8.290 nan 0.000 0.497 18 P HA 0.437 nan 4.420 nan 0.000 0.272 18 P C -0.343 177.056 177.300 0.164 0.000 1.230 18 P CA 0.187 63.358 63.100 0.118 0.000 0.788 18 P CB 0.623 32.102 31.700 -0.369 0.000 0.949 19 E N 0.176 120.424 120.200 0.080 0.000 2.312 19 E HA 0.585 4.933 4.350 -0.004 0.000 0.267 19 E C -1.182 175.420 176.600 0.003 0.000 0.894 19 E CA -0.610 55.695 56.400 -0.158 0.000 0.773 19 E CB 1.481 31.203 29.700 0.037 0.000 1.241 19 E HN 0.468 nan 8.360 nan 0.000 0.432 20 W N 0.788 122.111 121.300 0.038 0.000 3.083 20 W HA 0.527 5.185 4.660 -0.004 0.000 0.333 20 W C -1.448 175.179 176.519 0.179 0.000 1.217 20 W CA -0.825 56.566 57.345 0.076 0.000 1.170 20 W CB 0.711 30.208 29.460 0.061 0.000 1.437 20 W HN 0.454 nan 8.180 nan 0.000 0.557 21 Q N 0.830 120.906 119.800 0.460 0.000 2.426 21 Q HA 0.459 4.797 4.340 -0.004 0.000 0.278 21 Q C -1.181 174.840 176.000 0.035 0.000 1.007 21 Q CA -1.211 54.766 55.803 0.291 0.000 0.850 21 Q CB 2.281 31.073 28.738 0.091 0.000 1.427 21 Q HN 0.713 nan 8.270 nan 0.000 0.391 22 R N 1.757 122.031 120.500 -0.376 0.000 2.522 22 R HA 0.123 4.461 4.340 -0.004 0.000 0.284 22 R C 0.050 176.099 176.300 -0.418 0.000 1.032 22 R CA 0.245 55.779 56.100 -0.943 0.000 1.049 22 R CB 0.410 30.231 30.300 -0.798 0.000 0.956 22 R HN 0.857 nan 8.270 nan 0.000 0.422 23 L N 3.212 124.210 121.223 -0.374 0.000 2.221 23 L HA 0.071 4.409 4.340 -0.004 0.000 0.202 23 L C 0.282 177.052 176.870 -0.168 0.000 1.074 23 L CA 0.751 55.477 54.840 -0.190 0.000 0.795 23 L CB -0.108 41.879 42.059 -0.120 0.000 0.960 23 L HN 0.798 nan 8.230 nan 0.000 0.458 24 N N -3.906 114.679 118.700 -0.192 0.000 3.449 24 N HA 0.038 4.775 4.740 -0.004 0.000 0.312 24 N C -0.243 175.197 175.510 -0.116 0.000 1.557 24 N CA -0.490 52.485 53.050 -0.124 0.000 0.864 24 N CB -0.004 38.441 38.487 -0.071 0.000 1.799 24 N HN -0.255 nan 8.380 nan 0.000 0.554 25 D N -0.283 120.086 120.400 -0.053 0.000 2.158 25 D HA -0.156 4.482 4.640 -0.004 0.000 0.197 25 D C -0.185 176.131 176.300 0.027 0.000 0.995 25 D CA 1.706 55.700 54.000 -0.010 0.000 0.846 25 D CB -0.084 40.718 40.800 0.002 0.000 0.941 25 D HN 0.671 nan 8.370 nan 0.000 0.456 29 E N 2.222 122.508 120.200 0.144 0.000 2.283 29 E HA 0.658 5.006 4.350 -0.004 0.000 0.278 29 E C -1.588 175.087 176.600 0.125 0.000 1.027 29 E CA -0.290 56.149 56.400 0.064 0.000 0.843 29 E CB 1.524 31.228 29.700 0.007 0.000 1.062 29 E HN 0.448 nan 8.360 nan 0.000 0.401 30 V N 3.371 123.294 119.914 0.015 0.000 2.638 30 V HA 0.333 4.451 4.120 -0.004 0.000 0.306 30 V C -0.299 175.684 176.094 -0.186 0.000 1.052 30 V CA -0.858 61.420 62.300 -0.037 0.000 0.885 30 V CB 1.997 33.759 31.823 -0.101 0.000 0.999 30 V HN 0.685 nan 8.190 nan 0.000 0.424 31 T N 4.777 119.151 114.554 -0.300 0.000 2.829 31 T HA 0.751 5.098 4.350 -0.004 0.000 0.280 31 T C -0.817 173.460 174.700 -0.705 0.000 0.999 31 T CA -0.154 61.668 62.100 -0.463 0.000 0.983 31 T CB 1.020 69.545 68.868 -0.571 0.000 0.968 31 T HN 0.336 nan 8.240 nan 0.000 0.446 32 F N 1.362 121.059 119.950 -0.421 0.000 2.522 32 F HA 0.627 5.152 4.527 -0.004 0.000 0.324 32 F C -0.271 175.365 175.800 -0.273 0.000 1.077 32 F CA -1.008 56.933 58.000 -0.099 0.000 0.944 32 F CB 1.700 40.885 39.000 0.309 0.000 1.175 32 F HN 0.333 nan 8.300 nan 0.000 0.468 33 W N 1.857 123.524 121.300 0.612 0.000 2.819 33 W HA 0.269 4.927 4.660 -0.004 0.000 0.337 33 W C -1.526 175.375 176.519 0.636 0.000 1.077 33 W CA -1.347 56.346 57.345 0.581 0.000 1.226 33 W CB 1.987 31.770 29.460 0.538 0.000 1.419 33 W HN 0.565 nan 8.180 nan 0.000 0.502 34 W N 4.247 125.864 121.300 0.528 0.000 2.785 34 W HA 0.520 5.178 4.660 -0.004 0.000 0.333 34 W C -0.848 175.958 176.519 0.477 0.000 1.062 34 W CA -1.278 56.265 57.345 0.329 0.000 1.233 34 W CB 1.214 30.558 29.460 -0.193 0.000 1.413 34 W HN 0.236 nan 8.180 nan 0.000 0.489 35 R N 4.533 124.692 120.500 -0.568 0.000 2.207 35 R HA 0.125 4.463 4.340 -0.004 0.000 0.334 35 R C -0.534 175.006 176.300 -1.268 0.000 1.013 35 R CA -0.482 55.112 56.100 -0.843 0.000 0.858 35 R CB 0.666 30.026 30.300 -1.567 0.000 1.094 35 R HN 0.436 nan 8.270 nan 0.000 0.457 36 D N 6.188 126.114 120.400 -0.791 0.000 2.346 36 D HA 0.052 4.689 4.640 -0.004 0.000 0.260 36 D C -1.548 174.505 176.300 -0.412 0.000 1.252 36 D CA -2.041 51.515 54.000 -0.740 0.000 0.895 36 D CB 1.646 42.454 40.800 0.014 0.000 1.097 36 D HN 0.365 nan 8.370 nan 0.000 0.489 37 P HA -0.170 nan 4.420 nan 0.000 0.217 37 P C 0.761 178.011 177.300 -0.083 0.000 1.148 37 P CA 1.285 64.279 63.100 -0.177 0.000 0.834 37 P CB 0.212 31.875 31.700 -0.061 0.000 0.783 38 Q N -1.337 118.455 119.800 -0.015 0.000 2.444 38 Q HA 0.245 4.583 4.340 -0.004 0.000 0.206 38 Q C 1.153 177.199 176.000 0.078 0.000 0.948 38 Q CA 0.365 56.199 55.803 0.052 0.000 0.946 38 Q CB -0.083 28.724 28.738 0.116 0.000 1.027 38 Q HN 0.211 nan 8.270 nan 0.000 0.513 39 G N 1.208 110.032 108.800 0.041 0.000 2.499 39 G HA2 -0.297 3.661 3.960 -0.004 0.000 0.232 39 G HA3 -0.297 3.661 3.960 -0.004 0.000 0.232 39 G C -0.044 174.956 174.900 0.167 0.000 1.251 39 G CA -0.230 44.917 45.100 0.078 0.000 0.917 39 G HN 0.448 nan 8.290 nan 0.000 0.580 40 S N -0.371 115.471 115.700 0.236 0.000 2.686 40 S HA 0.553 5.021 4.470 -0.004 0.000 0.270 40 S C 1.414 176.095 174.600 0.135 0.000 1.194 40 S CA 1.112 59.413 58.200 0.168 0.000 0.990 40 S CB 1.668 64.948 63.200 0.133 0.000 1.029 40 S HN 1.723 nan 8.310 nan 0.000 0.560 41 E N 0.859 121.077 120.200 0.031 0.000 2.095 41 E HA -0.292 4.056 4.350 -0.004 0.000 0.212 41 E C 1.692 178.260 176.600 -0.054 0.000 1.044 41 E CA 2.640 59.037 56.400 -0.004 0.000 0.857 41 E CB -0.930 28.738 29.700 -0.054 0.000 0.764 41 E HN 0.798 nan 8.360 nan 0.000 0.462 42 E N -1.323 118.759 120.200 -0.197 0.000 2.086 42 E HA -0.243 4.105 4.350 -0.004 0.000 0.205 42 E C 2.076 178.430 176.600 -0.410 0.000 1.027 42 E CA 1.912 58.059 56.400 -0.421 0.000 0.830 42 E CB -0.386 28.832 29.700 -0.803 0.000 0.751 42 E HN 0.507 nan 8.360 nan 0.000 0.456 43 Y N -0.342 119.977 120.300 0.032 0.000 2.544 43 Y HA 0.150 4.698 4.550 -0.004 0.000 0.286 43 Y C 1.022 176.954 175.900 0.053 0.000 1.141 43 Y CA 0.074 58.194 58.100 0.034 0.000 1.299 43 Y CB 0.424 38.899 38.460 0.025 0.000 1.030 43 Y HN -0.176 nan 8.280 nan 0.000 0.543 44 S N 0.020 115.817 115.700 0.162 0.000 2.451 44 S HA 0.189 4.656 4.470 -0.004 0.000 0.301 44 S C 1.181 175.864 174.600 0.138 0.000 1.116 44 S CA -0.291 58.014 58.200 0.174 0.000 1.093 44 S CB 0.717 64.061 63.200 0.240 0.000 1.017 44 S HN 0.424 nan 8.310 nan 0.000 0.482 45 T N 2.506 117.134 114.554 0.123 0.000 3.118 45 T HA 0.185 4.533 4.350 -0.004 0.000 0.260 45 T C 0.819 175.580 174.700 0.101 0.000 1.139 45 T CA 0.111 62.267 62.100 0.093 0.000 1.085 45 T CB -0.285 68.624 68.868 0.069 0.000 0.934 45 T HN 0.487 nan 8.240 nan 0.000 0.518 46 I N 2.128 122.788 120.570 0.150 0.000 2.618 46 I HA 0.235 4.403 4.170 -0.004 0.000 0.284 46 I C 1.110 177.322 176.117 0.158 0.000 1.146 46 I CA 0.245 61.609 61.300 0.106 0.000 1.425 46 I CB 1.061 39.128 38.000 0.113 0.000 1.383 46 I HN 0.244 nan 8.210 nan 0.000 0.562 47 K N 4.628 125.057 120.400 0.048 0.000 2.387 47 K HA 0.220 4.537 4.320 -0.004 0.000 0.197 47 K C 0.161 176.783 176.600 0.037 0.000 1.127 47 K CA 0.172 56.516 56.287 0.096 0.000 0.950 47 K CB 0.686 33.215 32.500 0.048 0.000 1.017 47 K HN 0.406 nan 8.250 nan 0.000 0.519 48 R N 0.548 120.911 120.500 -0.229 0.000 2.698 48 R HA 0.410 4.748 4.340 -0.004 0.000 0.275 48 R C -1.383 174.397 176.300 -0.867 0.000 1.001 48 R CA -0.757 55.026 56.100 -0.529 0.000 0.896 48 R CB 2.144 32.109 30.300 -0.557 0.000 1.218 48 R HN -0.209 nan 8.270 nan 0.000 0.462 49 V N 1.969 121.239 119.914 -1.073 0.000 2.409 49 V HA 0.421 4.538 4.120 -0.004 0.000 0.290 49 V C -0.852 174.750 176.094 -0.820 0.000 1.017 49 V CA -1.057 60.663 62.300 -0.966 0.000 0.841 49 V CB 1.313 32.491 31.823 -1.075 0.000 1.003 49 V HN 0.590 nan 8.190 nan 0.000 0.426 50 W N 3.160 124.309 121.300 -0.252 0.000 2.315 50 W HA 0.634 5.292 4.660 -0.004 0.000 0.316 50 W C -0.189 176.251 176.519 -0.131 0.000 1.211 50 W CA -0.738 56.533 57.345 -0.123 0.000 1.201 50 W CB 1.265 30.818 29.460 0.155 0.000 1.184 50 W HN 0.313 nan 8.180 nan 0.000 0.544 51 V N 4.121 123.967 119.914 -0.112 0.000 2.350 51 V HA 0.158 4.276 4.120 -0.004 0.000 0.276 51 V C -1.000 175.011 176.094 -0.138 0.000 1.028 51 V CA -1.025 61.175 62.300 -0.166 0.000 0.860 51 V CB 0.276 31.725 31.823 -0.622 0.000 0.990 51 V HN 0.389 nan 8.190 nan 0.000 0.453 52 Y N 6.131 126.332 120.300 -0.164 0.000 2.331 52 Y HA 0.668 5.216 4.550 -0.004 0.000 0.338 52 Y C -0.250 175.540 175.900 -0.184 0.000 0.976 52 Y CA -0.823 57.059 58.100 -0.363 0.000 1.137 52 Y CB 1.230 39.401 38.460 -0.482 0.000 1.172 52 Y HN 0.543 nan 8.280 nan 0.000 0.478 53 I N 6.028 126.207 120.570 -0.653 0.000 2.389 53 I HA 0.211 4.379 4.170 -0.004 0.000 0.288 53 I C -0.033 175.833 176.117 -0.418 0.000 0.999 53 I CA -0.783 60.350 61.300 -0.279 0.000 1.129 53 I CB 1.730 39.626 38.000 -0.174 0.000 1.288 53 I HN 0.566 nan 8.210 nan 0.000 0.444 54 T N 4.729 119.218 114.554 -0.109 0.000 2.908 54 T HA 0.141 4.488 4.350 -0.004 0.000 0.301 54 T C 1.246 175.945 174.700 -0.001 0.000 1.019 54 T CA 1.101 63.172 62.100 -0.047 0.000 1.152 54 T CB 0.688 69.588 68.868 0.052 0.000 0.966 54 T HN 1.090 nan 8.240 nan 0.000 0.540 55 G N 1.948 110.725 108.800 -0.039 0.000 2.175 55 G HA2 -0.273 3.685 3.960 -0.004 0.000 0.265 55 G HA3 -0.273 3.685 3.960 -0.004 0.000 0.265 55 G C 0.667 175.346 174.900 -0.368 0.000 0.979 55 G CA 0.526 45.553 45.100 -0.122 0.000 0.663 55 G HN 0.659 nan 8.290 nan 0.000 0.533 56 V N -1.246 118.513 119.914 -0.258 0.000 3.161 56 V HA 0.064 4.182 4.120 -0.004 0.000 0.221 56 V C 2.550 178.523 176.094 -0.201 0.000 1.296 56 V CA 1.925 64.054 62.300 -0.285 0.000 1.306 56 V CB -0.573 31.019 31.823 -0.386 0.000 1.171 56 V HN 0.258 nan 8.190 nan 0.000 0.513 57 T N 0.630 114.963 114.554 -0.368 0.000 2.699 57 T HA -0.229 4.118 4.350 -0.004 0.000 0.268 57 T C 1.516 176.083 174.700 -0.221 0.000 1.036 57 T CA 2.201 64.062 62.100 -0.400 0.000 1.147 57 T CB -0.358 67.966 68.868 -0.907 0.000 0.862 57 T HN 0.401 nan 8.240 nan 0.000 0.446 58 D N 0.164 120.448 120.400 -0.192 0.000 2.123 58 D HA -0.039 4.599 4.640 -0.004 0.000 0.196 58 D C 0.960 177.273 176.300 0.022 0.000 0.992 58 D CA 1.140 55.137 54.000 -0.004 0.000 0.833 58 D CB -0.284 40.529 40.800 0.021 0.000 0.954 58 D HN 0.508 nan 8.370 nan 0.000 0.455 63 S N -1.091 114.606 115.700 -0.004 0.000 2.739 63 S HA 0.433 4.901 4.470 -0.004 0.000 0.306 63 S C -0.147 174.432 174.600 -0.037 0.000 1.115 63 S CA -0.705 57.492 58.200 -0.006 0.000 0.985 63 S CB 1.987 65.194 63.200 0.012 0.000 1.133 63 S HN 0.141 nan 8.310 nan 0.000 0.541 64 Q N 1.288 121.071 119.800 -0.028 0.000 2.286 64 Q HA 0.261 4.598 4.340 -0.004 0.000 0.267 64 Q C -2.325 173.640 176.000 -0.058 0.000 1.028 64 Q CA -1.650 54.114 55.803 -0.065 0.000 0.901 64 Q CB 0.021 28.757 28.738 -0.003 0.000 1.183 64 Q HN 0.392 nan 8.270 nan 0.000 0.392 65 P HA -0.034 nan 4.420 nan 0.000 0.266 65 P C -1.315 176.116 177.300 0.218 0.000 1.195 65 P CA 0.374 63.404 63.100 -0.117 0.000 0.768 65 P CB 0.503 31.768 31.700 -0.726 0.000 0.838 66 Q N 0.732 120.723 119.800 0.319 0.000 2.333 66 Q HA 0.450 4.788 4.340 -0.004 0.000 0.267 66 Q C 0.063 176.122 176.000 0.098 0.000 1.012 66 Q CA -0.628 55.361 55.803 0.310 0.000 0.824 66 Q CB 2.071 31.043 28.738 0.390 0.000 1.290 66 Q HN 0.411 nan 8.270 nan 0.000 0.449 70 R N 2.849 122.903 120.500 -0.743 0.000 2.347 70 R HA 0.348 4.686 4.340 -0.004 0.000 0.304 70 R C -0.033 176.008 176.300 -0.432 0.000 1.072 70 R CA -0.200 55.293 56.100 -1.012 0.000 0.980 70 R CB 0.291 29.782 30.300 -1.348 0.000 0.986 70 R HN 0.595 nan 8.270 nan 0.000 0.448 71 I N 4.696 125.096 120.570 -0.284 0.000 2.578 71 I HA 0.021 4.189 4.170 -0.004 0.000 0.286 71 I C 0.880 176.881 176.117 -0.195 0.000 1.126 71 I CA -0.078 61.111 61.300 -0.185 0.000 1.380 71 I CB 0.687 38.596 38.000 -0.151 0.000 1.408 71 I HN 0.706 nan 8.210 nan 0.000 0.532 72 A N 5.443 128.166 122.820 -0.162 0.000 2.591 72 A HA 0.293 4.610 4.320 -0.004 0.000 0.244 72 A C 1.448 178.965 177.584 -0.111 0.000 1.031 72 A CA 0.765 52.722 52.037 -0.133 0.000 0.767 72 A CB -0.450 18.489 19.000 -0.101 0.000 0.942 72 A HN 1.294 nan 8.150 nan 0.000 0.514 73 G N 1.627 110.372 108.800 -0.091 0.000 2.176 73 G HA2 -0.135 3.823 3.960 -0.004 0.000 0.253 73 G HA3 -0.135 3.823 3.960 -0.004 0.000 0.253 73 G C 0.579 175.453 174.900 -0.043 0.000 0.979 73 G CA 1.175 46.241 45.100 -0.056 0.000 0.641 73 G HN 2.382 nan 8.290 nan 0.000 0.530 74 T N -2.397 112.114 114.554 -0.071 0.000 2.910 74 T HA 0.580 4.928 4.350 -0.004 0.000 0.287 74 T C 0.537 175.238 174.700 0.003 0.000 1.050 74 T CA 0.499 62.573 62.100 -0.043 0.000 1.011 74 T CB 1.940 70.741 68.868 -0.112 0.000 1.195 74 T HN 0.252 nan 8.240 nan 0.000 0.540 75 D N -0.196 120.261 120.400 0.095 0.000 2.325 75 D HA 0.130 4.768 4.640 -0.004 0.000 0.225 75 D C 0.182 176.656 176.300 0.290 0.000 1.096 75 D CA -0.288 53.801 54.000 0.149 0.000 0.844 75 D CB -0.539 40.319 40.800 0.096 0.000 0.925 75 D HN 0.348 nan 8.370 nan 0.000 0.513 76 V N 0.854 120.920 119.914 0.254 0.000 2.432 76 V HA 0.311 4.429 4.120 -0.004 0.000 0.275 76 V C -0.494 175.732 176.094 0.220 0.000 1.043 76 V CA -0.801 61.756 62.300 0.429 0.000 0.925 76 V CB 0.462 32.385 31.823 0.166 0.000 0.985 76 V HN 0.052 nan 8.190 nan 0.000 0.466 77 W N 3.203 124.751 121.300 0.414 0.000 2.520 77 W HA 0.707 5.365 4.660 -0.004 0.000 0.323 77 W C 0.071 176.790 176.519 0.333 0.000 1.062 77 W CA -0.309 57.226 57.345 0.316 0.000 1.215 77 W CB 1.351 31.014 29.460 0.338 0.000 1.340 77 W HN 0.538 nan 8.180 nan 0.000 0.516 78 Q N 2.402 122.448 119.800 0.411 0.000 2.345 78 Q HA 0.497 4.835 4.340 -0.004 0.000 0.275 78 Q C -2.075 174.086 176.000 0.269 0.000 1.063 78 Q CA -0.738 55.200 55.803 0.226 0.000 0.819 78 Q CB 2.431 31.274 28.738 0.175 0.000 1.356 78 Q HN 0.595 nan 8.270 nan 0.000 0.418 79 W N 1.921 123.197 121.300 -0.040 0.000 3.425 79 W HA 0.556 5.214 4.660 -0.004 0.000 0.318 79 W C -1.747 174.799 176.519 0.046 0.000 1.201 79 W CA -0.105 57.249 57.345 0.015 0.000 1.212 79 W CB 2.220 31.688 29.460 0.015 0.000 1.355 79 W HN 0.546 nan 8.180 nan 0.000 0.515 80 T N 3.859 118.031 114.554 -0.637 0.000 2.861 80 T HA 0.668 5.016 4.350 -0.004 0.000 0.287 80 T C -0.765 173.370 174.700 -0.942 0.000 1.003 80 T CA -0.331 61.437 62.100 -0.553 0.000 0.977 80 T CB 2.018 70.694 68.868 -0.320 0.000 0.996 80 T HN 0.393 nan 8.240 nan 0.000 0.448 81 T N 1.498 115.661 114.554 -0.651 0.000 2.654 81 T HA 0.521 4.869 4.350 -0.004 0.000 0.289 81 T C -1.701 172.852 174.700 -0.245 0.000 1.062 81 T CA -0.592 61.172 62.100 -0.561 0.000 1.041 81 T CB 1.717 70.153 68.868 -0.720 0.000 1.417 81 T HN 0.525 nan 8.240 nan 0.000 0.510 82 Q N 0.931 120.622 119.800 -0.182 0.000 2.337 82 Q HA 0.734 5.071 4.340 -0.004 0.000 0.266 82 Q C -1.256 174.665 176.000 -0.132 0.000 1.023 82 Q CA -0.658 55.080 55.803 -0.108 0.000 0.829 82 Q CB 2.238 30.924 28.738 -0.087 0.000 1.306 82 Q HN 0.463 nan 8.270 nan 0.000 0.449 83 L N 1.399 122.567 121.223 -0.091 0.000 2.409 83 L HA 0.427 4.764 4.340 -0.004 0.000 0.262 83 L C -0.238 176.616 176.870 -0.027 0.000 0.992 83 L CA -1.012 53.722 54.840 -0.177 0.000 0.817 83 L CB 2.035 43.924 42.059 -0.284 0.000 1.350 83 L HN 0.606 nan 8.230 nan 0.000 0.411 84 N N 1.026 119.700 118.700 -0.043 0.000 2.458 84 N HA 0.026 4.764 4.740 -0.004 0.000 0.258 84 N C 0.799 176.383 175.510 0.124 0.000 1.219 84 N CA 0.623 53.712 53.050 0.066 0.000 0.902 84 N CB 1.869 40.394 38.487 0.063 0.000 1.076 84 N HN 0.835 nan 8.380 nan 0.000 0.455 85 A N 4.274 127.205 122.820 0.185 0.000 2.024 85 A HA -0.163 4.155 4.320 -0.004 0.000 0.220 85 A C 1.510 179.098 177.584 0.007 0.000 1.164 85 A CA 1.227 53.355 52.037 0.151 0.000 0.643 85 A CB -0.189 19.022 19.000 0.353 0.000 0.806 85 A HN 0.812 nan 8.150 nan 0.000 0.451 86 N N -2.256 116.477 118.700 0.055 0.000 2.398 86 N HA 0.006 4.744 4.740 -0.004 0.000 0.188 86 N C -0.133 175.387 175.510 0.016 0.000 1.122 86 N CA 0.021 53.082 53.050 0.018 0.000 0.866 86 N CB 0.058 38.564 38.487 0.031 0.000 0.970 86 N HN 0.732 nan 8.380 nan 0.000 0.462 87 W N 2.156 123.369 121.300 -0.145 0.000 2.313 87 W HA 0.284 4.942 4.660 -0.004 0.000 0.328 87 W C 0.220 176.630 176.519 -0.182 0.000 1.197 87 W CA -0.652 56.605 57.345 -0.146 0.000 1.235 87 W CB 0.747 30.130 29.460 -0.127 0.000 1.158 87 W HN -0.228 nan 8.180 nan 0.000 0.578 88 R N 4.403 124.183 120.500 -1.199 0.000 2.651 88 R HA 0.747 5.084 4.340 -0.004 0.000 0.278 88 R C -0.921 174.231 176.300 -1.913 0.000 1.010 88 R CA -0.384 54.961 56.100 -1.259 0.000 0.896 88 R CB 1.522 31.441 30.300 -0.635 0.000 1.211 88 R HN 0.811 nan 8.270 nan 0.000 0.456 89 G N 0.724 108.619 108.800 -1.509 0.000 2.441 89 G HA2 0.291 4.249 3.960 -0.004 0.000 0.294 89 G HA3 0.291 4.249 3.960 -0.004 0.000 0.294 89 G C -1.559 173.286 174.900 -0.092 0.000 1.393 89 G CA -0.350 44.271 45.100 -0.799 0.000 0.796 89 G HN 0.717 nan 8.290 nan 0.000 0.494 90 S N -1.197 114.556 115.700 0.088 0.000 2.638 90 S HA 0.911 5.379 4.470 -0.004 0.000 0.298 90 S C -0.613 174.125 174.600 0.231 0.000 1.111 90 S CA -0.502 57.791 58.200 0.155 0.000 1.027 90 S CB 1.667 64.900 63.200 0.055 0.000 1.064 90 S HN 1.901 nan 8.310 nan 0.000 0.525 91 Y N -1.890 118.416 120.300 0.010 0.000 2.655 91 Y HA 0.809 5.357 4.550 -0.004 0.000 0.336 91 Y C -0.705 175.115 175.900 -0.132 0.000 1.154 91 Y CA -1.459 56.634 58.100 -0.011 0.000 1.055 91 Y CB 0.636 39.139 38.460 0.071 0.000 1.295 91 Y HN 1.152 nan 8.280 nan 0.000 0.465 92 C N -0.246 118.970 119.300 -0.139 0.000 3.241 92 C HA 0.824 5.282 4.460 -0.004 0.000 0.312 92 C C -1.533 173.404 174.990 -0.088 0.000 1.350 92 C CA -1.010 57.818 59.018 -0.318 0.000 1.415 92 C CB 0.977 28.603 27.740 -0.190 0.000 1.770 92 C HN 0.743 nan 8.230 nan 0.000 0.466 93 F N 0.969 120.873 119.950 -0.077 0.000 2.425 93 F HA 0.753 5.278 4.527 -0.004 0.000 0.331 93 F C 0.445 176.102 175.800 -0.238 0.000 1.085 93 F CA -1.935 55.965 58.000 -0.167 0.000 1.028 93 F CB 1.141 39.963 39.000 -0.297 0.000 1.177 93 F HN 0.477 nan 8.300 nan 0.000 0.487 94 I N 4.208 124.773 120.570 -0.009 0.000 2.595 94 I HA 0.249 4.417 4.170 -0.004 0.000 0.275 94 I C -2.704 173.263 176.117 -0.250 0.000 1.092 94 I CA -1.931 59.327 61.300 -0.070 0.000 1.145 94 I CB 1.247 39.330 38.000 0.138 0.000 1.276 94 I HN 0.205 nan 8.210 nan 0.000 0.497 95 P HA 0.205 nan 4.420 nan 0.000 0.282 95 P C -0.276 176.837 177.300 -0.310 0.000 1.262 95 P CA 0.072 62.787 63.100 -0.642 0.000 0.773 95 P CB 1.564 32.676 31.700 -0.980 0.000 0.879 96 T N 0.934 115.338 114.554 -0.250 0.000 2.900 96 T HA 0.241 4.589 4.350 -0.004 0.000 0.303 96 T C 0.506 175.156 174.700 -0.083 0.000 1.142 96 T CA -0.469 61.567 62.100 -0.107 0.000 1.007 96 T CB 1.207 70.068 68.868 -0.011 0.000 1.156 96 T HN 0.263 nan 8.240 nan 0.000 0.490 97 E N 1.176 121.352 120.200 -0.040 0.000 2.489 97 E HA 0.120 4.467 4.350 -0.004 0.000 0.193 97 E C 0.269 176.865 176.600 -0.007 0.000 1.057 97 E CA 0.161 56.553 56.400 -0.014 0.000 0.866 97 E CB 0.396 30.094 29.700 -0.002 0.000 0.916 97 E HN 0.383 nan 8.360 nan 0.000 0.500 98 R N 0.300 120.795 120.500 -0.009 0.000 2.486 98 R HA 0.239 4.577 4.340 -0.004 0.000 0.286 98 R C -0.005 176.311 176.300 0.028 0.000 0.999 98 R CA -0.375 55.721 56.100 -0.007 0.000 0.993 98 R CB 0.821 31.098 30.300 -0.040 0.000 1.084 98 R HN -0.157 nan 8.270 nan 0.000 0.487 99 D N -0.204 120.207 120.400 0.018 0.000 2.556 99 D HA -0.029 4.608 4.640 -0.004 0.000 0.237 99 D C 0.142 176.455 176.300 0.022 0.000 1.296 99 D CA 0.179 54.207 54.000 0.047 0.000 0.807 99 D CB 0.456 41.277 40.800 0.035 0.000 1.084 99 D HN 0.625 nan 8.370 nan 0.000 0.510 100 D N -0.335 120.045 120.400 -0.034 0.000 2.301 100 D HA -0.050 4.588 4.640 -0.004 0.000 0.206 100 D C 0.837 177.049 176.300 -0.147 0.000 0.979 100 D CA 0.036 53.992 54.000 -0.073 0.000 0.874 100 D CB 0.448 41.196 40.800 -0.087 0.000 0.968 100 D HN 0.126 nan 8.370 nan 0.000 0.510 101 I N 1.331 121.750 120.570 -0.250 0.000 2.529 101 I HA 0.058 4.225 4.170 -0.004 0.000 0.284 101 I C 0.102 175.925 176.117 -0.490 0.000 1.082 101 I CA -0.337 60.615 61.300 -0.580 0.000 1.406 101 I CB -0.562 36.858 38.000 -0.968 0.000 1.405 101 I HN -0.102 nan 8.210 nan 0.000 0.548 102 F N 3.140 122.907 119.950 -0.306 0.000 3.040 102 F HA -0.213 4.312 4.527 -0.004 0.000 0.298 102 F C 1.433 177.185 175.800 -0.081 0.000 0.948 102 F CA 0.479 58.318 58.000 -0.270 0.000 1.022 102 F CB -2.536 36.172 39.000 -0.486 0.000 1.023 102 F HN 0.509 nan 8.300 nan 0.000 0.742 103 S N -1.366 114.377 115.700 0.072 0.000 2.456 103 S HA 0.453 4.921 4.470 -0.004 0.000 0.224 103 S C 1.386 176.019 174.600 0.056 0.000 1.035 103 S CA 0.388 58.630 58.200 0.069 0.000 0.940 103 S CB 0.193 63.410 63.200 0.028 0.000 0.799 103 S HN 0.645 nan 8.310 nan 0.000 0.508 104 A N 3.232 126.076 122.820 0.039 0.000 2.371 104 A HA 0.564 4.881 4.320 -0.004 0.000 0.257 104 A C -2.135 175.468 177.584 0.032 0.000 1.089 104 A CA -1.139 50.914 52.037 0.027 0.000 0.794 104 A CB -0.221 18.786 19.000 0.011 0.000 1.029 104 A HN 0.187 nan 8.150 nan 0.000 0.488 108 D N 0.937 121.338 120.400 0.001 0.000 2.478 108 D HA -0.064 4.574 4.640 -0.004 0.000 0.234 108 D C 1.279 177.581 176.300 0.004 0.000 1.154 108 D CA 0.168 54.167 54.000 -0.001 0.000 0.874 108 D CB 1.278 42.076 40.800 -0.004 0.000 1.198 108 D HN 0.402 nan 8.370 nan 0.000 0.455 109 R N 2.718 123.218 120.500 -0.000 0.000 2.117 109 R HA -0.208 4.130 4.340 -0.004 0.000 0.243 109 R C 1.996 178.304 176.300 0.014 0.000 1.143 109 R CA 1.125 57.227 56.100 0.003 0.000 0.968 109 R CB -0.279 30.013 30.300 -0.013 0.000 0.863 109 R HN 0.500 nan 8.270 nan 0.000 0.444 110 L N 1.313 122.538 121.223 0.003 0.000 2.095 110 L HA -0.043 4.295 4.340 -0.004 0.000 0.204 110 L C 1.808 178.681 176.870 0.005 0.000 1.080 110 L CA 1.625 56.465 54.840 0.001 0.000 0.759 110 L CB -0.320 41.731 42.059 -0.013 0.000 0.914 110 L HN 0.137 nan 8.230 nan 0.000 0.439 111 E N -0.280 119.920 120.200 0.001 0.000 2.108 111 E HA -0.311 4.037 4.350 -0.004 0.000 0.203 111 E C 2.171 178.797 176.600 0.043 0.000 1.022 111 E CA 2.118 58.518 56.400 0.001 0.000 0.823 111 E CB -0.487 29.217 29.700 0.006 0.000 0.744 111 E HN 0.493 nan 8.360 nan 0.000 0.456 112 L N 0.457 121.730 121.223 0.083 0.000 1.994 112 L HA -0.205 4.132 4.340 -0.004 0.000 0.208 112 L C 2.673 179.685 176.870 0.237 0.000 1.071 112 L CA 1.166 56.106 54.840 0.167 0.000 0.745 112 L CB -0.428 41.711 42.059 0.132 0.000 0.892 112 L HN 0.074 nan 8.230 nan 0.000 0.431 113 R N -0.037 120.571 120.500 0.180 0.000 2.083 113 R HA -0.158 4.180 4.340 -0.004 0.000 0.237 113 R C 2.158 178.516 176.300 0.096 0.000 1.137 113 R CA 1.243 57.448 56.100 0.176 0.000 0.951 113 R CB -0.668 29.677 30.300 0.075 0.000 0.851 113 R HN 0.428 nan 8.270 nan 0.000 0.434 114 E N -0.034 120.171 120.200 0.010 0.000 2.049 114 E HA -0.151 4.197 4.350 -0.004 0.000 0.198 114 E C 2.060 178.562 176.600 -0.163 0.000 1.007 114 E CA 1.540 57.900 56.400 -0.067 0.000 0.809 114 E CB -0.506 29.143 29.700 -0.084 0.000 0.749 114 E HN 0.472 nan 8.360 nan 0.000 0.450 115 G N 0.367 109.013 108.800 -0.257 0.000 2.553 115 G HA2 -0.279 3.678 3.960 -0.004 0.000 0.218 115 G HA3 -0.279 3.678 3.960 -0.004 0.000 0.218 115 G C 1.423 175.948 174.900 -0.625 0.000 1.195 115 G CA 1.128 45.803 45.100 -0.708 0.000 0.779 115 G HN 0.335 nan 8.290 nan 0.000 0.577 116 W N 0.324 121.570 121.300 -0.089 0.000 2.402 116 W HA 0.094 4.752 4.660 -0.004 0.000 0.286 116 W C 2.837 179.216 176.519 -0.233 0.000 1.221 116 W CA 0.641 57.897 57.345 -0.150 0.000 1.257 116 W CB -0.062 29.351 29.460 -0.079 0.000 1.120 116 W HN 0.089 nan 8.180 nan 0.000 0.551 117 R N 1.470 121.987 120.500 0.029 0.000 2.091 117 R HA -0.192 4.146 4.340 -0.004 0.000 0.238 117 R C 1.866 178.107 176.300 -0.098 0.000 1.136 117 R CA 1.717 57.792 56.100 -0.042 0.000 0.959 117 R CB -0.302 29.974 30.300 -0.041 0.000 0.856 117 R HN 0.142 nan 8.270 nan 0.000 0.437 118 K N 0.062 120.367 120.400 -0.158 0.000 2.097 118 K HA -0.111 4.207 4.320 -0.004 0.000 0.206 118 K C 2.080 178.569 176.600 -0.184 0.000 1.049 118 K CA 1.327 57.502 56.287 -0.186 0.000 0.933 118 K CB -0.014 32.332 32.500 -0.257 0.000 0.717 118 K HN 0.251 nan 8.250 nan 0.000 0.442 119 L N 0.296 121.393 121.223 -0.210 0.000 2.249 119 L HA -0.016 4.322 4.340 -0.004 0.000 0.207 119 L C 2.094 178.890 176.870 -0.124 0.000 1.090 119 L CA 0.291 55.028 54.840 -0.172 0.000 0.802 119 L CB -0.153 41.767 42.059 -0.233 0.000 0.947 119 L HN 0.102 nan 8.230 nan 0.000 0.453 120 L N 0.207 121.345 121.223 -0.141 0.000 2.127 120 L HA -0.153 4.185 4.340 -0.004 0.000 0.211 120 L C -0.309 176.415 176.870 -0.243 0.000 1.089 120 L CA 1.185 55.866 54.840 -0.266 0.000 0.757 120 L CB -1.503 40.360 42.059 -0.327 0.000 0.899 120 L HN 0.200 nan 8.230 nan 0.000 0.434 121 P HA -0.215 nan 4.420 nan 0.000 0.218 121 P C 0.880 178.127 177.300 -0.089 0.000 1.146 121 P CA 1.343 64.393 63.100 -0.084 0.000 0.820 121 P CB -0.032 31.629 31.700 -0.065 0.000 0.778 122 Q N -1.306 118.428 119.800 -0.111 0.000 2.280 122 Q HA 0.315 4.652 4.340 -0.004 0.000 0.202 122 Q C 0.518 176.439 176.000 -0.131 0.000 0.903 122 Q CA -0.433 55.310 55.803 -0.099 0.000 0.948 122 Q CB 0.143 28.830 28.738 -0.086 0.000 1.058 122 Q HN 0.128 nan 8.270 nan 0.000 0.493 123 A N 2.052 124.746 122.820 -0.210 0.000 2.462 123 A HA 0.442 4.760 4.320 -0.004 0.000 0.243 123 A C 0.199 177.693 177.584 -0.149 0.000 1.076 123 A CA -0.159 51.716 52.037 -0.269 0.000 0.773 123 A CB -0.022 18.583 19.000 -0.659 0.000 1.010 123 A HN 0.490 nan 8.150 nan 0.000 0.493 124 I N -1.723 118.772 120.570 -0.125 0.000 3.074 124 I HA 0.824 4.991 4.170 -0.004 0.000 0.310 124 I C 0.097 176.116 176.117 -0.162 0.000 1.153 124 I CA -1.245 60.005 61.300 -0.084 0.000 0.993 124 I CB 2.007 39.996 38.000 -0.018 0.000 1.237 124 I HN 0.689 nan 8.210 nan 0.000 0.443 125 A N 1.852 124.569 122.820 -0.172 0.000 2.332 125 A HA 0.249 4.567 4.320 -0.004 0.000 0.258 125 A C -0.249 177.204 177.584 -0.219 0.000 1.087 125 A CA -0.180 51.678 52.037 -0.298 0.000 0.802 125 A CB 0.256 19.107 19.000 -0.248 0.000 1.042 125 A HN 0.833 nan 8.150 nan 0.000 0.489 126 D N 1.518 121.695 120.400 -0.373 0.000 2.389 126 D HA 0.123 4.761 4.640 -0.004 0.000 0.263 126 D C -1.381 175.026 176.300 0.178 0.000 1.255 126 D CA -1.548 52.430 54.000 -0.036 0.000 0.914 126 D CB 0.850 41.664 40.800 0.023 0.000 1.116 126 D HN 0.158 nan 8.370 nan 0.000 0.502 127 P HA -0.071 nan 4.420 nan 0.000 0.226 127 P C 1.255 178.674 177.300 0.198 0.000 1.153 127 P CA 0.649 63.873 63.100 0.206 0.000 0.777 127 P CB 0.309 32.128 31.700 0.199 0.000 0.794 128 L N -1.742 119.648 121.223 0.278 0.000 2.607 128 L HA 0.173 4.510 4.340 -0.004 0.000 0.228 128 L C 0.964 177.999 176.870 0.275 0.000 1.123 128 L CA -0.066 54.927 54.840 0.255 0.000 0.890 128 L CB -0.410 41.819 42.059 0.283 0.000 1.103 128 L HN -0.070 nan 8.230 nan 0.000 0.468 129 N N 1.231 120.094 118.700 0.273 0.000 2.420 129 N HA 0.140 4.877 4.740 -0.004 0.000 0.249 129 N C -1.786 173.836 175.510 0.188 0.000 1.033 129 N CA -1.718 51.488 53.050 0.260 0.000 0.944 129 N CB 1.708 40.362 38.487 0.279 0.000 1.113 129 N HN -0.150 nan 8.380 nan 0.000 0.502 130 P HA -0.074 nan 4.420 nan 0.000 0.220 130 P C -0.125 177.261 177.300 0.143 0.000 1.148 130 P CA 1.095 64.281 63.100 0.145 0.000 0.803 130 P CB 0.301 32.079 31.700 0.131 0.000 0.782 131 Q N 0.396 120.298 119.800 0.170 0.000 3.026 131 Q HA 0.246 4.584 4.340 -0.004 0.000 0.258 131 Q C -0.297 175.864 176.000 0.267 0.000 1.388 131 Q CA 0.362 56.289 55.803 0.207 0.000 1.000 131 Q CB -0.442 28.418 28.738 0.203 0.000 1.634 131 Q HN 0.128 nan 8.270 nan 0.000 0.571 132 S N 1.252 117.083 115.700 0.219 0.000 2.542 132 S HA 0.785 5.253 4.470 -0.004 0.000 0.293 132 S C -0.773 173.966 174.600 0.231 0.000 1.089 132 S CA -0.906 57.348 58.200 0.090 0.000 0.961 132 S CB 1.362 64.525 63.200 -0.061 0.000 1.062 132 S HN 0.548 nan 8.310 nan 0.000 0.483 133 W N 0.382 121.613 121.300 -0.115 0.000 3.042 133 W HA 0.648 5.306 4.660 -0.004 0.000 0.342 133 W C -1.536 174.906 176.519 -0.129 0.000 1.240 133 W CA -1.200 56.062 57.345 -0.139 0.000 1.166 133 W CB 0.502 29.842 29.460 -0.200 0.000 1.469 133 W HN 0.314 nan 8.180 nan 0.000 0.579 134 K N 2.166 122.557 120.400 -0.016 0.000 2.382 134 K HA 0.309 4.627 4.320 -0.004 0.000 0.286 134 K C 0.756 177.352 176.600 -0.008 0.000 1.062 134 K CA 0.195 56.430 56.287 -0.085 0.000 1.000 134 K CB 0.484 32.963 32.500 -0.036 0.000 0.954 134 K HN 0.716 nan 8.250 nan 0.000 0.470 135 G N 1.544 110.207 108.800 -0.228 0.000 2.712 135 G HA2 0.035 3.993 3.960 -0.004 0.000 0.258 135 G HA3 0.035 3.993 3.960 -0.004 0.000 0.258 135 G C 0.963 175.894 174.900 0.052 0.000 1.241 135 G CA -0.318 44.701 45.100 -0.135 0.000 0.923 135 G HN 0.724 nan 8.290 nan 0.000 0.548 136 G N -1.548 107.247 108.800 -0.009 0.000 2.920 136 G HA2 0.197 4.154 3.960 -0.004 0.000 0.208 136 G HA3 0.197 4.154 3.960 -0.004 0.000 0.208 136 G C 0.674 175.519 174.900 -0.092 0.000 1.159 136 G CA 0.128 45.195 45.100 -0.055 0.000 0.784 136 G HN 0.296 nan 8.290 nan 0.000 0.535 137 L N 0.239 121.348 121.223 -0.191 0.000 3.202 137 L HA 0.382 4.720 4.340 -0.004 0.000 0.278 137 L C 1.440 178.220 176.870 -0.150 0.000 1.268 137 L CA -0.174 54.565 54.840 -0.167 0.000 1.034 137 L CB -0.254 41.704 42.059 -0.168 0.000 1.407 137 L HN 0.259 nan 8.230 nan 0.000 0.581 138 G N 1.136 109.856 108.800 -0.134 0.000 2.198 138 G HA2 -0.245 3.713 3.960 -0.004 0.000 0.257 138 G HA3 -0.245 3.713 3.960 -0.004 0.000 0.257 138 G C 0.176 175.074 174.900 -0.002 0.000 1.042 138 G CA 0.677 45.746 45.100 -0.051 0.000 0.791 138 G HN 0.677 nan 8.290 nan 0.000 0.502 139 H N -2.323 116.694 119.070 -0.090 0.000 2.996 139 H HA 0.774 5.328 4.556 -0.004 0.000 0.368 139 H C 0.165 175.382 175.328 -0.184 0.000 1.185 139 H CA -0.602 55.372 56.048 -0.124 0.000 1.160 139 H CB 1.170 30.852 29.762 -0.134 0.000 1.820 139 H HN 0.833 nan 8.280 nan 0.000 0.547 140 A N 1.948 124.712 122.820 -0.093 0.000 2.406 140 A HA 0.507 4.824 4.320 -0.004 0.000 0.243 140 A C 0.512 177.898 177.584 -0.329 0.000 1.082 140 A CA 0.324 52.210 52.037 -0.252 0.000 0.786 140 A CB 0.154 19.041 19.000 -0.188 0.000 1.029 140 A HN 0.899 nan 8.150 nan 0.000 0.495 141 V N -1.707 117.800 119.914 -0.680 0.000 3.181 141 V HA 0.913 5.031 4.120 -0.004 0.000 0.308 141 V C -0.214 175.258 176.094 -1.036 0.000 1.214 141 V CA -0.559 61.242 62.300 -0.832 0.000 1.053 141 V CB 1.579 32.859 31.823 -0.905 0.000 1.069 141 V HN 0.928 nan 8.190 nan 0.000 0.441 142 S N 0.230 115.352 115.700 -0.963 0.000 2.570 142 S HA 0.904 5.372 4.470 -0.004 0.000 0.286 142 S C -0.172 174.285 174.600 -0.238 0.000 1.099 142 S CA -0.141 57.663 58.200 -0.659 0.000 0.913 142 S CB 1.748 64.490 63.200 -0.762 0.000 1.085 142 S HN 1.589 nan 8.310 nan 0.000 0.480 143 A N 1.498 124.450 122.820 0.220 0.000 2.331 143 A HA 0.770 5.088 4.320 -0.004 0.000 0.283 143 A C -1.045 176.757 177.584 0.362 0.000 1.142 143 A CA -0.301 51.941 52.037 0.342 0.000 0.812 143 A CB 0.191 19.366 19.000 0.290 0.000 1.074 143 A HN 0.597 nan 8.150 nan 0.000 0.497 144 L N 2.051 123.435 121.223 0.268 0.000 2.438 144 L HA 0.594 4.932 4.340 -0.004 0.000 0.270 144 L C -0.395 176.424 176.870 -0.086 0.000 0.972 144 L CA 0.052 54.989 54.840 0.161 0.000 0.831 144 L CB 1.733 43.994 42.059 0.336 0.000 1.273 144 L HN 0.927 nan 8.230 nan 0.000 0.405 148 Q N 0.422 120.138 119.800 -0.140 0.000 2.319 148 Q HA 0.495 4.832 4.340 -0.004 0.000 0.202 148 Q C 0.618 176.579 176.000 -0.065 0.000 0.896 148 Q CA 0.105 55.879 55.803 -0.048 0.000 0.942 148 Q CB 0.604 29.354 28.738 0.021 0.000 1.083 148 Q HN 0.346 nan 8.270 nan 0.000 0.510 149 A N 3.348 126.098 122.820 -0.117 0.000 2.565 149 A HA 0.154 4.472 4.320 -0.004 0.000 0.237 149 A C -2.035 175.491 177.584 -0.095 0.000 1.053 149 A CA -0.910 51.052 52.037 -0.126 0.000 0.755 149 A CB -0.273 18.609 19.000 -0.196 0.000 0.980 149 A HN 0.047 nan 8.150 nan 0.000 0.506 150 P HA 0.215 nan 4.420 nan 0.000 0.271 150 P C -0.372 176.896 177.300 -0.054 0.000 1.218 150 P CA -0.194 62.872 63.100 -0.057 0.000 0.780 150 P CB 0.440 32.107 31.700 -0.055 0.000 0.901 151 L N 2.234 123.439 121.223 -0.029 0.000 2.490 151 L HA 0.016 4.354 4.340 -0.004 0.000 0.274 151 L C 1.175 178.046 176.870 0.001 0.000 1.201 151 L CA 0.443 55.277 54.840 -0.010 0.000 0.869 151 L CB -0.221 41.840 42.059 0.004 0.000 1.123 151 L HN 0.287 nan 8.230 nan 0.000 0.484 152 Q N 4.930 124.751 119.800 0.033 0.000 2.368 152 Q HA 0.299 4.636 4.340 -0.004 0.000 0.256 152 Q C -2.254 173.850 176.000 0.173 0.000 0.980 152 Q CA -2.103 53.756 55.803 0.094 0.000 0.887 152 Q CB 1.162 29.945 28.738 0.074 0.000 1.221 152 Q HN 0.326 nan 8.270 nan 0.000 0.458 153 P HA -0.112 nan 4.420 nan 0.000 0.261 153 P C 0.808 178.105 177.300 -0.004 0.000 1.183 153 P CA 1.226 64.352 63.100 0.042 0.000 0.761 153 P CB 0.499 32.202 31.700 0.005 0.000 0.785 154 G N 1.958 110.728 108.800 -0.051 0.000 2.320 154 G HA2 -0.301 3.657 3.960 -0.004 0.000 0.242 154 G HA3 -0.301 3.657 3.960 -0.004 0.000 0.242 154 G C 0.942 175.715 174.900 -0.211 0.000 1.033 154 G CA 0.064 45.060 45.100 -0.173 0.000 0.620 154 G HN 0.471 nan 8.290 nan 0.000 0.517 155 W N 1.419 122.686 121.300 -0.056 0.000 2.519 155 W HA 0.217 4.875 4.660 -0.003 0.000 0.266 155 W C 1.974 178.466 176.519 -0.045 0.000 1.253 155 W CA 1.116 58.423 57.345 -0.063 0.000 1.274 155 W CB 0.148 29.559 29.460 -0.082 0.000 1.114 155 W HN 0.222 nan 8.180 nan 0.000 0.596 156 D N -0.918 119.571 120.400 0.148 0.000 2.349 156 D HA -0.002 4.635 4.640 -0.004 0.000 0.215 156 D C 0.628 176.957 176.300 0.048 0.000 1.016 156 D CA 0.783 54.836 54.000 0.090 0.000 0.870 156 D CB -0.069 40.772 40.800 0.068 0.000 0.917 156 D HN 0.204 nan 8.370 nan 0.000 0.524 157 C N 0.827 120.136 119.300 0.017 0.000 3.471 157 C HA 0.400 4.858 4.460 -0.004 0.000 0.191 157 C C -2.643 172.331 174.990 -0.026 0.000 1.480 157 C CA -1.992 57.028 59.018 0.003 0.000 1.281 157 C CB 0.053 27.797 27.740 0.007 0.000 1.898 157 C HN -0.110 nan 8.230 nan 0.000 0.533 158 P HA 0.252 nan 4.420 nan 0.000 0.269 158 P C -0.775 176.514 177.300 -0.018 0.000 1.215 158 P CA 1.089 64.143 63.100 -0.077 0.000 0.780 158 P CB 0.846 32.502 31.700 -0.074 0.000 0.898 159 Q N 0.191 119.987 119.800 -0.008 0.000 2.372 159 Q HA 0.572 4.910 4.340 -0.004 0.000 0.273 159 Q C -0.584 175.453 176.000 0.061 0.000 1.078 159 Q CA -1.052 54.784 55.803 0.054 0.000 0.806 159 Q CB 2.429 31.248 28.738 0.134 0.000 1.332 159 Q HN 0.531 nan 8.270 nan 0.000 0.435 160 A N 3.290 126.156 122.820 0.077 0.000 2.566 160 A HA 0.222 4.540 4.320 -0.004 0.000 0.245 160 A C -2.139 175.512 177.584 0.110 0.000 1.056 160 A CA -0.593 51.493 52.037 0.081 0.000 0.757 160 A CB -0.687 18.356 19.000 0.072 0.000 0.979 160 A HN 0.333 nan 8.150 nan 0.000 0.508 161 P HA 0.064 nan 4.420 nan 0.000 0.265 161 P C 0.555 177.935 177.300 0.134 0.000 1.193 161 P CA 0.038 63.249 63.100 0.185 0.000 0.765 161 P CB 0.548 32.409 31.700 0.268 0.000 0.823 162 E N 1.566 121.834 120.200 0.114 0.000 2.072 162 E HA -0.039 4.308 4.350 -0.004 0.000 0.190 162 E C 0.346 176.973 176.600 0.044 0.000 0.982 162 E CA 0.996 57.444 56.400 0.079 0.000 0.803 162 E CB 0.033 29.780 29.700 0.078 0.000 0.755 162 E HN 0.448 nan 8.360 nan 0.000 0.453 163 I N 1.992 122.576 120.570 0.024 0.000 2.439 163 I HA 0.226 4.393 4.170 -0.004 0.000 0.283 163 I C -2.480 173.675 176.117 0.062 0.000 1.023 163 I CA -2.427 58.875 61.300 0.003 0.000 1.100 163 I CB 1.807 39.775 38.000 -0.054 0.000 1.238 163 I HN -0.216 nan 8.210 nan 0.000 0.445 164 P HA 0.075 nan 4.420 nan 0.000 0.268 164 P C -0.239 177.046 177.300 -0.026 0.000 1.208 164 P CA -0.218 62.875 63.100 -0.010 0.000 0.777 164 P CB 0.563 32.238 31.700 -0.042 0.000 0.875 165 A N 2.574 125.247 122.820 -0.245 0.000 2.466 165 A HA 0.140 4.458 4.320 -0.004 0.000 0.238 165 A C 0.333 177.875 177.584 -0.070 0.000 1.074 165 A CA 0.164 52.059 52.037 -0.236 0.000 0.774 165 A CB -0.131 18.245 19.000 -1.041 0.000 1.015 165 A HN 0.454 nan 8.150 nan 0.000 0.498 166 K N 1.056 121.473 120.400 0.027 0.000 2.213 166 K HA 0.238 4.556 4.320 -0.004 0.000 0.270 166 K C -0.607 176.017 176.600 0.039 0.000 1.002 166 K CA -0.193 56.114 56.287 0.033 0.000 0.868 166 K CB 0.952 33.467 32.500 0.025 0.000 1.093 166 K HN 0.844 nan 8.250 nan 0.000 0.454 167 E N 5.216 125.396 120.200 -0.034 0.000 2.134 167 E HA 0.243 4.591 4.350 -0.004 0.000 0.278 167 E C -0.599 175.885 176.600 -0.194 0.000 0.959 167 E CA -0.605 55.630 56.400 -0.273 0.000 0.783 167 E CB 0.713 30.203 29.700 -0.351 0.000 1.095 167 E HN 0.527 nan 8.360 nan 0.000 0.399 168 I N 0.895 121.345 120.570 -0.201 0.000 2.910 168 I HA 0.508 4.675 4.170 -0.004 0.000 0.310 168 I C -0.660 175.385 176.117 -0.120 0.000 1.043 168 I CA -1.167 60.068 61.300 -0.108 0.000 1.053 168 I CB 1.519 39.496 38.000 -0.039 0.000 1.242 168 I HN 0.278 nan 8.210 nan 0.000 0.452 169 I N 2.838 123.380 120.570 -0.048 0.000 2.331 169 I HA 0.165 4.332 4.170 -0.004 0.000 0.292 169 I C -1.082 175.101 176.117 0.110 0.000 0.998 169 I CA -0.122 61.172 61.300 -0.009 0.000 1.267 169 I CB 1.030 39.016 38.000 -0.025 0.000 1.386 169 I HN 0.770 nan 8.210 nan 0.000 0.476 170 W N 8.319 129.572 121.300 -0.078 0.000 2.283 170 W HA 0.339 4.996 4.660 -0.004 0.000 0.317 170 W C -0.072 176.422 176.519 -0.043 0.000 1.042 170 W CA -1.330 55.984 57.345 -0.051 0.000 1.348 170 W CB 0.555 29.989 29.460 -0.044 0.000 1.216 170 W HN 0.442 nan 8.180 nan 0.000 0.404 171 K N 5.135 125.536 120.400 0.002 0.000 2.263 171 K HA 0.258 4.575 4.320 -0.004 0.000 0.282 171 K C -0.210 176.251 176.600 -0.231 0.000 1.089 171 K CA -0.120 56.074 56.287 -0.155 0.000 0.907 171 K CB 0.656 33.130 32.500 -0.044 0.000 1.148 171 K HN 0.325 nan 8.250 nan 0.000 0.470 172 S N 3.277 118.677 115.700 -0.501 0.000 2.430 172 S HA 0.030 4.498 4.470 -0.004 0.000 0.289 172 S C 0.981 175.484 174.600 -0.162 0.000 1.143 172 S CA -0.460 57.494 58.200 -0.411 0.000 1.067 172 S CB 1.225 63.969 63.200 -0.760 0.000 0.964 172 S HN 0.826 nan 8.310 nan 0.000 0.485 173 E N 4.478 124.656 120.200 -0.036 0.000 2.047 173 E HA -0.167 4.180 4.350 -0.004 0.000 0.191 173 E C 2.057 178.645 176.600 -0.020 0.000 0.987 173 E CA 0.827 57.218 56.400 -0.016 0.000 0.799 173 E CB -0.074 29.638 29.700 0.020 0.000 0.752 173 E HN 0.784 nan 8.360 nan 0.000 0.449 174 R N 0.212 120.710 120.500 -0.003 0.000 2.081 174 R HA -0.096 4.242 4.340 -0.004 0.000 0.235 174 R C 2.327 178.610 176.300 -0.029 0.000 1.131 174 R CA 1.327 57.427 56.100 -0.001 0.000 0.960 174 R CB -0.098 30.218 30.300 0.026 0.000 0.856 174 R HN 0.250 nan 8.270 nan 0.000 0.436 175 L N 0.231 121.407 121.223 -0.078 0.000 2.509 175 L HA 0.122 4.460 4.340 -0.004 0.000 0.222 175 L C 0.479 177.298 176.870 -0.085 0.000 1.123 175 L CA 0.249 55.037 54.840 -0.087 0.000 0.856 175 L CB 0.009 41.982 42.059 -0.143 0.000 0.985 175 L HN 0.122 nan 8.230 nan 0.000 0.456 176 K N 1.669 122.012 120.400 -0.096 0.000 3.035 176 K HA -0.213 4.105 4.320 -0.004 0.000 0.262 176 K C -0.569 175.983 176.600 -0.081 0.000 1.024 176 K CA 0.726 56.968 56.287 -0.074 0.000 0.748 176 K CB -1.619 30.857 32.500 -0.041 0.000 1.247 176 K HN 0.685 nan 8.250 nan 0.000 0.482 177 N N -2.137 116.474 118.700 -0.148 0.000 2.732 177 N HA 0.496 5.234 4.740 -0.004 0.000 0.259 177 N C -1.257 174.100 175.510 -0.255 0.000 1.402 177 N CA -0.982 51.976 53.050 -0.154 0.000 0.829 177 N CB 1.715 40.140 38.487 -0.103 0.000 1.495 177 N HN -0.088 nan 8.380 nan 0.000 0.511 178 S N -0.930 114.644 115.700 -0.211 0.000 2.503 178 S HA 0.806 5.274 4.470 -0.004 0.000 0.301 178 S C -0.668 173.819 174.600 -0.188 0.000 1.087 178 S CA -0.958 57.117 58.200 -0.209 0.000 1.042 178 S CB 1.014 64.139 63.200 -0.124 0.000 1.043 178 S HN 0.776 nan 8.310 nan 0.000 0.489 179 R N 0.839 121.251 120.500 -0.146 0.000 2.799 179 R HA 0.633 4.971 4.340 -0.004 0.000 0.270 179 R C -1.454 174.828 176.300 -0.029 0.000 1.010 179 R CA -1.201 54.857 56.100 -0.069 0.000 0.916 179 R CB 1.020 31.308 30.300 -0.020 0.000 1.228 179 R HN 0.367 nan 8.270 nan 0.000 0.469 180 R N 0.531 120.974 120.500 -0.096 0.000 2.543 180 R HA 0.384 4.722 4.340 -0.004 0.000 0.277 180 R C -0.639 175.503 176.300 -0.262 0.000 1.074 180 R CA -0.161 55.742 56.100 -0.329 0.000 1.076 180 R CB 1.235 31.105 30.300 -0.717 0.000 0.993 180 R HN 0.350 nan 8.270 nan 0.000 0.459 181 V N 3.146 122.875 119.914 -0.308 0.000 2.709 181 V HA 0.396 4.514 4.120 -0.004 0.000 0.308 181 V C -0.757 175.261 176.094 -0.126 0.000 1.062 181 V CA -0.907 61.367 62.300 -0.043 0.000 0.901 181 V CB 1.766 33.636 31.823 0.078 0.000 1.003 181 V HN 0.661 nan 8.190 nan 0.000 0.425 182 W N 4.891 126.325 121.300 0.224 0.000 2.529 182 W HA 0.660 5.318 4.660 -0.003 0.000 0.321 182 W C -0.752 175.913 176.519 0.243 0.000 1.047 182 W CA -0.608 56.880 57.345 0.240 0.000 1.216 182 W CB 1.919 31.627 29.460 0.413 0.000 1.357 182 W HN 0.390 nan 8.180 nan 0.000 0.489 183 I N 4.096 124.876 120.570 0.350 0.000 2.362 183 I HA 0.342 4.510 4.170 -0.004 0.000 0.289 183 I C -0.868 175.427 176.117 0.297 0.000 0.994 183 I CA -0.682 60.789 61.300 0.284 0.000 1.158 183 I CB 1.179 39.275 38.000 0.160 0.000 1.315 183 I HN 0.126 nan 8.210 nan 0.000 0.451 184 F N 5.893 125.953 119.950 0.184 0.000 2.569 184 F HA 0.631 5.156 4.527 -0.004 0.000 0.312 184 F C -0.375 175.562 175.800 0.229 0.000 1.109 184 F CA -0.352 57.712 58.000 0.106 0.000 0.919 184 F CB 1.968 41.029 39.000 0.102 0.000 1.211 184 F HN 0.450 nan 8.300 nan 0.000 0.446 185 T N 1.606 115.858 114.554 -0.502 0.000 2.863 185 T HA 0.803 5.151 4.350 -0.004 0.000 0.285 185 T C -0.396 173.940 174.700 -0.607 0.000 1.009 185 T CA -0.338 61.549 62.100 -0.355 0.000 0.989 185 T CB 1.652 70.418 68.868 -0.171 0.000 1.004 185 T HN 0.802 nan 8.240 nan 0.000 0.455 186 T N -0.757 113.613 114.554 -0.308 0.000 2.910 186 T HA 0.847 5.195 4.350 -0.004 0.000 0.287 186 T C 0.896 175.517 174.700 -0.131 0.000 1.050 186 T CA -0.170 61.782 62.100 -0.247 0.000 1.011 186 T CB 0.986 69.828 68.868 -0.044 0.000 1.195 186 T HN 1.986 nan 8.240 nan 0.000 0.540 187 G N 1.174 109.923 108.800 -0.084 0.000 2.633 187 G HA2 -0.166 3.792 3.960 -0.004 0.000 0.263 187 G HA3 -0.166 3.792 3.960 -0.004 0.000 0.263 187 G C -0.947 173.932 174.900 -0.034 0.000 1.310 187 G CA 0.053 45.136 45.100 -0.028 0.000 0.914 187 G HN 1.128 nan 8.290 nan 0.000 0.569 188 D N 0.520 120.907 120.400 -0.022 0.000 2.383 188 D HA 0.346 4.984 4.640 -0.004 0.000 0.252 188 D C 1.845 178.121 176.300 -0.041 0.000 1.166 188 D CA 0.259 54.247 54.000 -0.021 0.000 0.879 188 D CB 1.344 42.136 40.800 -0.014 0.000 1.164 188 D HN 0.915 nan 8.370 nan 0.000 0.462 189 V N 1.339 121.230 119.914 -0.037 0.000 2.250 189 V HA -0.339 3.779 4.120 -0.004 0.000 0.250 189 V C 2.141 178.207 176.094 -0.046 0.000 1.060 189 V CA 2.225 64.498 62.300 -0.045 0.000 1.030 189 V CB -1.832 29.970 31.823 -0.036 0.000 0.643 189 V HN 0.776 nan 8.190 nan 0.000 0.445 190 T N -0.606 113.924 114.554 -0.040 0.000 3.077 190 T HA 0.212 4.560 4.350 -0.004 0.000 0.269 190 T C 0.938 175.607 174.700 -0.051 0.000 1.146 190 T CA 0.522 62.597 62.100 -0.042 0.000 1.091 190 T CB -0.973 67.874 68.868 -0.034 0.000 0.892 190 T HN 1.185 nan 8.240 nan 0.000 0.533 191 A N 1.480 124.265 122.820 -0.058 0.000 2.566 191 A HA 0.233 4.550 4.320 -0.004 0.000 0.245 191 A C 0.435 177.973 177.584 -0.078 0.000 1.056 191 A CA 0.048 52.041 52.037 -0.073 0.000 0.757 191 A CB -0.000 18.947 19.000 -0.089 0.000 0.979 191 A HN 0.600 nan 8.150 nan 0.000 0.508 192 E N 1.225 121.376 120.200 -0.081 0.000 2.212 192 E HA 0.305 4.653 4.350 -0.004 0.000 0.270 192 E C -0.359 176.186 176.600 -0.093 0.000 0.956 192 E CA -0.730 55.623 56.400 -0.080 0.000 0.825 192 E CB 0.832 30.489 29.700 -0.070 0.000 1.167 192 E HN 0.681 nan 8.360 nan 0.000 0.400 193 E N 0.880 121.029 120.200 -0.086 0.000 2.476 193 E HA -0.229 4.118 4.350 -0.004 0.000 0.251 193 E C -0.703 175.831 176.600 -0.109 0.000 1.130 193 E CA 0.710 57.059 56.400 -0.084 0.000 0.736 193 E CB -1.278 28.372 29.700 -0.084 0.000 1.298 193 E HN 0.474 nan 8.360 nan 0.000 0.400 194 R N 1.164 121.599 120.500 -0.108 0.000 2.538 194 R HA 0.066 4.403 4.340 -0.004 0.000 0.282 194 R C -1.882 174.328 176.300 -0.150 0.000 1.009 194 R CA -0.829 55.169 56.100 -0.169 0.000 1.063 194 R CB 0.091 30.312 30.300 -0.131 0.000 0.945 194 R HN -0.004 nan 8.270 nan 0.000 0.414 195 P HA -0.051 nan 4.420 nan 0.000 0.269 195 P C -0.737 176.460 177.300 -0.171 0.000 1.209 195 P CA -0.232 62.724 63.100 -0.240 0.000 0.776 195 P CB 0.617 31.947 31.700 -0.616 0.000 0.876 196 L N 2.434 123.623 121.223 -0.057 0.000 2.307 196 L HA 0.635 4.972 4.340 -0.004 0.000 0.282 196 L C -0.565 176.335 176.870 0.049 0.000 1.051 196 L CA -0.501 54.217 54.840 -0.203 0.000 0.804 196 L CB 0.767 42.443 42.059 -0.638 0.000 1.197 196 L HN 0.455 nan 8.230 nan 0.000 0.431 197 A N 5.177 128.005 122.820 0.013 0.000 2.330 197 A HA 0.716 5.034 4.320 -0.004 0.000 0.313 197 A C -1.160 176.491 177.584 0.111 0.000 1.124 197 A CA -0.582 51.513 52.037 0.098 0.000 0.774 197 A CB 1.258 20.337 19.000 0.132 0.000 1.198 197 A HN 0.514 nan 8.150 nan 0.000 0.465 198 V N 3.533 123.525 119.914 0.131 0.000 2.407 198 V HA 0.369 4.487 4.120 -0.004 0.000 0.278 198 V C -0.650 175.552 176.094 0.181 0.000 1.037 198 V CA -0.290 62.115 62.300 0.174 0.000 0.900 198 V CB 0.981 32.937 31.823 0.223 0.000 0.983 198 V HN 0.710 nan 8.190 nan 0.000 0.459 199 L N 6.246 127.600 121.223 0.217 0.000 2.305 199 L HA 0.536 4.874 4.340 -0.004 0.000 0.284 199 L C -0.063 176.960 176.870 0.256 0.000 1.013 199 L CA 0.180 55.136 54.840 0.193 0.000 0.819 199 L CB 1.475 43.628 42.059 0.156 0.000 1.227 199 L HN 0.459 nan 8.230 nan 0.000 0.417 200 L N 2.773 124.136 121.223 0.234 0.000 2.466 200 L HA 0.321 4.658 4.340 -0.004 0.000 0.257 200 L C 0.337 177.367 176.870 0.265 0.000 1.189 200 L CA -0.607 54.373 54.840 0.233 0.000 0.813 200 L CB 0.228 42.393 42.059 0.177 0.000 1.118 200 L HN 0.629 nan 8.230 nan 0.000 0.471 201 D N 1.175 121.697 120.400 0.204 0.000 2.708 201 D HA -0.173 4.465 4.640 -0.004 0.000 0.236 201 D C 1.247 177.707 176.300 0.266 0.000 1.146 201 D CA 0.942 55.053 54.000 0.186 0.000 0.662 201 D CB -0.961 39.898 40.800 0.097 0.000 1.059 201 D HN 0.981 nan 8.370 nan 0.000 0.428 202 G N 1.160 110.152 108.800 0.320 0.000 2.450 202 G HA2 -0.315 3.643 3.960 -0.004 0.000 0.220 202 G HA3 -0.315 3.643 3.960 -0.004 0.000 0.220 202 G C 1.488 176.443 174.900 0.092 0.000 1.130 202 G CA 1.193 46.495 45.100 0.336 0.000 0.760 202 G HN 0.480 nan 8.290 nan 0.000 0.557 203 E N 0.408 120.705 120.200 0.161 0.000 2.204 203 E HA -0.123 4.224 4.350 -0.004 0.000 0.194 203 E C 2.070 178.541 176.600 -0.214 0.000 0.989 203 E CA 0.580 56.954 56.400 -0.043 0.000 0.824 203 E CB -0.752 29.105 29.700 0.261 0.000 0.756 203 E HN 0.441 nan 8.360 nan 0.000 0.477 204 F N 0.478 120.258 119.950 -0.284 0.000 2.098 204 F HA -0.006 4.519 4.527 -0.004 0.000 0.294 204 F C 1.671 177.127 175.800 -0.573 0.000 1.107 204 F CA 1.358 59.081 58.000 -0.461 0.000 1.234 204 F CB -0.345 38.280 39.000 -0.625 0.000 1.002 204 F HN -0.069 nan 8.300 nan 0.000 0.472 205 W N -0.179 121.060 121.300 -0.103 0.000 2.825 205 W HA 0.161 4.819 4.660 -0.004 0.000 0.243 205 W C 2.053 178.135 176.519 -0.728 0.000 1.293 205 W CA 0.579 57.735 57.345 -0.315 0.000 1.403 205 W CB -0.411 28.945 29.460 -0.172 0.000 1.134 205 W HN 0.100 nan 8.180 nan 0.000 0.666 206 A N -0.846 121.581 122.820 -0.656 0.000 2.085 206 A HA 0.063 4.381 4.320 -0.004 0.000 0.208 206 A C 1.821 179.004 177.584 -0.668 0.000 1.191 206 A CA 0.680 52.135 52.037 -0.970 0.000 0.799 206 A CB 0.192 18.226 19.000 -1.610 0.000 0.877 206 A HN 0.298 nan 8.150 nan 0.000 0.473 207 Q N -1.336 118.126 119.800 -0.564 0.000 2.459 207 Q HA 0.246 4.584 4.340 -0.004 0.000 0.260 207 Q C 0.396 176.180 176.000 -0.361 0.000 0.828 207 Q CA 0.036 55.634 55.803 -0.343 0.000 0.987 207 Q CB 0.790 29.403 28.738 -0.208 0.000 1.216 207 Q HN 0.462 nan 8.270 nan 0.000 0.558 211 V N -2.349 117.052 119.914 -0.856 0.000 3.129 211 V HA -0.003 4.114 4.120 -0.004 0.000 0.259 211 V C 1.392 177.087 176.094 -0.665 0.000 1.116 211 V CA 0.590 62.501 62.300 -0.649 0.000 1.127 211 V CB -1.057 30.447 31.823 -0.532 0.000 0.742 211 V HN 0.700 nan 8.190 nan 0.000 0.474 212 W N 1.723 122.687 121.300 -0.560 0.000 2.302 212 W HA -0.082 4.577 4.660 -0.002 0.000 0.320 212 W C 0.070 176.344 176.519 -0.409 0.000 1.241 212 W CA 1.442 58.313 57.345 -0.791 0.000 1.264 212 W CB -2.283 26.678 29.460 -0.831 0.000 1.154 212 W HN 0.343 nan 8.180 nan 0.000 0.483 213 P HA -0.061 nan 4.420 nan 0.000 0.229 213 P C 1.391 178.555 177.300 -0.227 0.000 1.160 213 P CA 1.226 64.264 63.100 -0.104 0.000 0.777 213 P CB -0.112 31.542 31.700 -0.076 0.000 0.814 214 V N -0.129 119.528 119.914 -0.428 0.000 2.426 214 V HA -0.115 4.003 4.120 -0.004 0.000 0.242 214 V C 2.612 178.481 176.094 -0.376 0.000 1.036 214 V CA 1.130 63.076 62.300 -0.591 0.000 1.044 214 V CB -1.185 29.909 31.823 -1.216 0.000 0.688 214 V HN -0.024 nan 8.190 nan 0.000 0.462 215 L N 0.135 121.171 121.223 -0.312 0.000 2.042 215 L HA -0.198 4.140 4.340 -0.004 0.000 0.210 215 L C 2.636 179.471 176.870 -0.058 0.000 1.076 215 L CA 2.004 56.755 54.840 -0.150 0.000 0.749 215 L CB -1.245 40.714 42.059 -0.167 0.000 0.893 215 L HN 0.350 nan 8.230 nan 0.000 0.432 216 T N -1.291 113.241 114.554 -0.038 0.000 2.684 216 T HA -0.236 4.112 4.350 -0.004 0.000 0.267 216 T C 2.183 176.707 174.700 -0.294 0.000 1.036 216 T CA 1.825 63.830 62.100 -0.159 0.000 1.148 216 T CB -0.235 68.583 68.868 -0.083 0.000 0.863 216 T HN 0.306 nan 8.240 nan 0.000 0.436 217 S N 0.554 116.164 115.700 -0.149 0.000 2.356 217 S HA 0.013 4.481 4.470 -0.004 0.000 0.223 217 S C 2.018 176.600 174.600 -0.030 0.000 1.032 217 S CA 0.869 59.037 58.200 -0.053 0.000 1.005 217 S CB -0.460 62.694 63.200 -0.078 0.000 0.867 217 S HN 0.413 nan 8.310 nan 0.000 0.449 218 L N 0.694 121.877 121.223 -0.066 0.000 2.141 218 L HA -0.058 4.279 4.340 -0.004 0.000 0.209 218 L C 2.695 179.581 176.870 0.026 0.000 1.094 218 L CA 1.411 56.237 54.840 -0.022 0.000 0.763 218 L CB -0.835 41.206 42.059 -0.029 0.000 0.908 218 L HN 0.330 nan 8.230 nan 0.000 0.437 219 T N -2.352 112.210 114.554 0.014 0.000 2.812 219 T HA -0.171 4.177 4.350 -0.004 0.000 0.264 219 T C 1.702 176.454 174.700 0.088 0.000 1.042 219 T CA 1.100 63.231 62.100 0.053 0.000 1.140 219 T CB -0.371 68.504 68.868 0.011 0.000 0.870 219 T HN 0.438 nan 8.240 nan 0.000 0.445 220 H N 0.572 119.665 119.070 0.038 0.000 2.457 220 H HA 0.050 4.604 4.556 -0.004 0.000 0.297 220 H C 1.990 177.327 175.328 0.016 0.000 1.092 220 H CA 0.683 56.746 56.048 0.023 0.000 1.309 220 H CB 0.163 29.934 29.762 0.014 0.000 1.382 220 H HN 0.132 nan 8.280 nan 0.000 0.535 221 R N 0.343 120.925 120.500 0.137 0.000 2.427 221 R HA 0.043 4.381 4.340 -0.004 0.000 0.262 221 R C -0.095 176.216 176.300 0.018 0.000 0.943 221 R CA 0.022 56.158 56.100 0.059 0.000 1.081 221 R CB 0.630 30.948 30.300 0.031 0.000 1.166 221 R HN 0.301 nan 8.270 nan 0.000 0.534 222 Q N -0.073 119.758 119.800 0.052 0.000 2.487 222 Q HA -0.221 4.117 4.340 -0.004 0.000 0.279 222 Q C 0.621 176.509 176.000 -0.186 0.000 1.228 222 Q CA 0.444 56.273 55.803 0.043 0.000 0.873 222 Q CB -0.866 27.907 28.738 0.058 0.000 1.260 222 Q HN 0.232 nan 8.270 nan 0.000 0.471 223 Q N -0.616 119.127 119.800 -0.095 0.000 2.354 223 Q HA 0.198 4.536 4.340 -0.004 0.000 0.203 223 Q C 0.334 176.345 176.000 0.018 0.000 0.933 223 Q CA 0.874 56.587 55.803 -0.151 0.000 0.901 223 Q CB 0.663 29.367 28.738 -0.057 0.000 1.007 223 Q HN 0.499 nan 8.270 nan 0.000 0.495 224 L N 1.956 123.309 121.223 0.216 0.000 2.381 224 L HA 0.422 4.760 4.340 -0.004 0.000 0.268 224 L C -2.367 174.750 176.870 0.413 0.000 0.997 224 L CA -2.118 52.967 54.840 0.408 0.000 0.818 224 L CB 2.496 44.772 42.059 0.361 0.000 1.310 224 L HN -0.112 nan 8.230 nan 0.000 0.416 225 P HA 0.226 nan 4.420 nan 0.000 0.274 225 P C -2.691 174.515 177.300 -0.157 0.000 1.237 225 P CA -1.647 61.387 63.100 -0.110 0.000 0.793 225 P CB -0.168 31.222 31.700 -0.518 0.000 0.977 226 P HA 0.191 nan 4.420 nan 0.000 0.265 226 P C -0.616 176.522 177.300 -0.271 0.000 1.187 226 P CA 0.900 63.912 63.100 -0.146 0.000 0.766 226 P CB 0.069 31.695 31.700 -0.124 0.000 0.820 227 A N 2.268 124.952 122.820 -0.227 0.000 2.599 227 A HA 0.616 4.933 4.320 -0.004 0.000 0.290 227 A C -1.465 175.969 177.584 -0.249 0.000 1.101 227 A CA -0.524 51.283 52.037 -0.383 0.000 0.674 227 A CB 1.076 19.632 19.000 -0.740 0.000 1.277 227 A HN 0.240 nan 8.150 nan 0.000 0.419 228 V N 1.029 120.773 119.914 -0.284 0.000 2.384 228 V HA 0.480 4.598 4.120 -0.004 0.000 0.287 228 V C -1.354 174.617 176.094 -0.205 0.000 1.020 228 V CA -0.263 61.968 62.300 -0.116 0.000 0.850 228 V CB 0.661 32.471 31.823 -0.023 0.000 0.987 228 V HN 0.689 nan 8.190 nan 0.000 0.436 229 Y N 2.996 123.413 120.300 0.195 0.000 2.352 229 Y HA 0.640 5.187 4.550 -0.004 0.000 0.339 229 Y C 0.024 176.084 175.900 0.268 0.000 0.992 229 Y CA -0.851 57.415 58.100 0.277 0.000 1.100 229 Y CB 2.108 40.828 38.460 0.433 0.000 1.192 229 Y HN 0.363 nan 8.280 nan 0.000 0.458 230 V N 5.689 125.796 119.914 0.322 0.000 2.378 230 V HA 0.342 4.460 4.120 -0.004 0.000 0.288 230 V C -0.818 175.480 176.094 0.340 0.000 1.016 230 V CA -0.713 61.754 62.300 0.278 0.000 0.840 230 V CB 1.252 33.139 31.823 0.106 0.000 0.994 230 V HN 0.472 nan 8.190 nan 0.000 0.431 231 L N 6.508 128.005 121.223 0.456 0.000 2.280 231 L HA 0.561 4.898 4.340 -0.004 0.000 0.287 231 L C -0.188 177.003 176.870 0.534 0.000 1.023 231 L CA 0.137 55.268 54.840 0.484 0.000 0.819 231 L CB 1.419 43.797 42.059 0.533 0.000 1.212 231 L HN 0.466 nan 8.230 nan 0.000 0.420 232 I N 2.408 123.235 120.570 0.428 0.000 2.321 232 I HA 0.191 4.359 4.170 -0.004 0.000 0.291 232 I C 0.056 176.431 176.117 0.429 0.000 0.998 232 I CA -0.818 60.733 61.300 0.418 0.000 1.227 232 I CB 1.268 39.499 38.000 0.386 0.000 1.368 232 I HN 0.495 nan 8.210 nan 0.000 0.466 233 D N 5.142 125.812 120.400 0.450 0.000 2.487 233 D HA 0.049 4.687 4.640 -0.004 0.000 0.243 233 D C 0.909 177.342 176.300 0.223 0.000 1.154 233 D CA 0.273 54.496 54.000 0.371 0.000 0.876 233 D CB 1.421 42.394 40.800 0.288 0.000 1.161 233 D HN 0.668 nan 8.370 nan 0.000 0.478 234 A N 3.972 126.890 122.820 0.163 0.000 2.206 234 A HA 0.116 4.434 4.320 -0.004 0.000 0.211 234 A C 1.853 179.460 177.584 0.038 0.000 1.158 234 A CA 0.704 52.784 52.037 0.071 0.000 0.761 234 A CB -0.555 18.473 19.000 0.047 0.000 0.801 234 A HN 0.842 nan 8.150 nan 0.000 0.473 235 I N -2.075 118.514 120.570 0.031 0.000 4.639 235 I HA -0.406 3.762 4.170 -0.004 0.000 0.047 235 I C 0.214 176.334 176.117 0.006 0.000 0.623 235 I CA 2.004 63.269 61.300 -0.059 0.000 0.827 235 I CB -1.169 36.628 38.000 -0.339 0.000 0.758 235 I HN 0.655 nan 8.210 nan 0.000 0.158 236 D N -1.184 119.256 120.400 0.067 0.000 2.738 236 D HA 0.234 4.872 4.640 -0.004 0.000 0.308 236 D C 0.536 176.904 176.300 0.114 0.000 1.311 236 D CA 0.154 54.216 54.000 0.103 0.000 0.799 236 D CB 0.260 41.139 40.800 0.130 0.000 1.332 236 D HN 0.225 nan 8.370 nan 0.000 0.441 237 T N -2.839 111.765 114.554 0.084 0.000 2.746 237 T HA -0.130 4.217 4.350 -0.004 0.000 0.267 237 T C 1.619 176.350 174.700 0.052 0.000 1.039 237 T CA 2.309 64.446 62.100 0.061 0.000 1.142 237 T CB -1.029 67.862 68.868 0.038 0.000 0.866 237 T HN 0.449 nan 8.240 nan 0.000 0.444 238 T N 0.916 115.497 114.554 0.045 0.000 2.737 238 T HA -0.047 4.301 4.350 -0.004 0.000 0.265 238 T C 1.760 176.421 174.700 -0.065 0.000 1.038 238 T CA 1.697 63.769 62.100 -0.046 0.000 1.144 238 T CB -0.563 68.291 68.868 -0.025 0.000 0.866 238 T HN 0.615 nan 8.240 nan 0.000 0.434 239 H N 0.748 119.842 119.070 0.039 0.000 2.289 239 H HA -0.023 4.531 4.556 -0.004 0.000 0.296 239 H C 2.552 177.859 175.328 -0.034 0.000 1.091 239 H CA 1.915 57.983 56.048 0.033 0.000 1.274 239 H CB -0.103 29.663 29.762 0.007 0.000 1.364 239 H HN 0.139 nan 8.280 nan 0.000 0.490 240 R N 0.456 121.013 120.500 0.096 0.000 2.096 240 R HA -0.174 4.164 4.340 -0.004 0.000 0.240 240 R C 2.291 178.592 176.300 0.001 0.000 1.139 240 R CA 1.451 57.562 56.100 0.018 0.000 0.952 240 R CB -0.366 29.974 30.300 0.067 0.000 0.854 240 R HN 0.380 nan 8.270 nan 0.000 0.436 241 A N -0.173 122.666 122.820 0.032 0.000 2.121 241 A HA -0.126 4.191 4.320 -0.004 0.000 0.218 241 A C 1.534 178.960 177.584 -0.262 0.000 1.154 241 A CA 1.138 53.168 52.037 -0.012 0.000 0.679 241 A CB -0.439 18.606 19.000 0.074 0.000 0.795 241 A HN 0.421 nan 8.150 nan 0.000 0.458 242 H N -0.838 118.169 119.070 -0.104 0.000 2.451 242 H HA 0.099 4.652 4.556 -0.004 0.000 0.294 242 H C 1.690 176.875 175.328 -0.237 0.000 1.028 242 H CA 1.346 57.308 56.048 -0.142 0.000 1.349 242 H CB 0.093 29.789 29.762 -0.111 0.000 1.444 242 H HN 0.665 nan 8.280 nan 0.000 0.538 243 E N 0.216 120.316 120.200 -0.167 0.000 2.140 243 E HA 0.041 4.389 4.350 -0.004 0.000 0.191 243 E C 2.160 178.406 176.600 -0.590 0.000 0.973 243 E CA 0.089 56.278 56.400 -0.351 0.000 0.829 243 E CB 0.431 29.877 29.700 -0.422 0.000 0.781 243 E HN 0.231 nan 8.360 nan 0.000 0.466 244 L N 0.955 121.842 121.223 -0.560 0.000 2.068 244 L HA 0.028 4.366 4.340 -0.004 0.000 0.204 244 L C -1.430 175.086 176.870 -0.590 0.000 1.076 244 L CA 0.248 54.773 54.840 -0.526 0.000 0.753 244 L CB -1.112 40.756 42.059 -0.318 0.000 0.910 244 L HN -0.053 nan 8.230 nan 0.000 0.439 245 P HA 0.136 nan 4.420 nan 0.000 0.277 245 P C -0.355 176.160 177.300 -1.308 0.000 1.354 245 P CA -0.314 61.928 63.100 -1.430 0.000 0.891 245 P CB 0.106 30.205 31.700 -2.668 0.000 1.058 246 C N 1.727 120.405 119.300 -1.037 0.000 4.056 246 C HA -0.153 4.305 4.460 -0.004 0.000 0.302 246 C C 0.633 175.075 174.990 -0.913 0.000 1.356 246 C CA -0.137 58.029 59.018 -1.420 0.000 2.074 246 C CB -2.931 24.259 27.740 -0.917 0.000 1.328 246 C HN 0.641 nan 8.230 nan 0.000 0.684 247 N N 0.170 118.560 118.700 -0.517 0.000 2.558 247 N HA 0.565 5.303 4.740 -0.004 0.000 0.242 247 N C 0.712 176.378 175.510 0.260 0.000 0.979 247 N CA 0.323 53.307 53.050 -0.110 0.000 0.931 247 N CB 1.476 39.894 38.487 -0.116 0.000 1.122 247 N HN 0.493 nan 8.380 nan 0.000 0.508 248 A N 3.320 126.364 122.820 0.373 0.000 1.908 248 A HA -0.169 4.148 4.320 -0.004 0.000 0.218 248 A C 1.534 179.326 177.584 0.347 0.000 1.181 248 A CA 1.500 53.888 52.037 0.585 0.000 0.627 248 A CB -0.224 19.060 19.000 0.474 0.000 0.818 248 A HN 0.668 nan 8.150 nan 0.000 0.445 249 D N -1.214 119.315 120.400 0.214 0.000 2.149 249 D HA -0.149 4.489 4.640 -0.004 0.000 0.198 249 D C 1.586 177.953 176.300 0.111 0.000 0.990 249 D CA 1.293 55.372 54.000 0.132 0.000 0.839 249 D CB -0.416 40.438 40.800 0.091 0.000 0.948 249 D HN 0.508 nan 8.370 nan 0.000 0.460 250 F N -0.141 119.784 119.950 -0.042 0.000 2.095 250 F HA -0.186 4.339 4.527 -0.003 0.000 0.298 250 F C 1.968 177.636 175.800 -0.222 0.000 1.104 250 F CA 1.520 59.413 58.000 -0.180 0.000 1.232 250 F CB -0.521 38.273 39.000 -0.343 0.000 0.987 250 F HN -0.037 nan 8.300 nan 0.000 0.475 251 W N 0.275 121.544 121.300 -0.052 0.000 2.518 251 W HA 0.002 4.659 4.660 -0.004 0.000 0.273 251 W C 2.173 178.402 176.519 -0.483 0.000 1.247 251 W CA 0.541 57.685 57.345 -0.335 0.000 1.288 251 W CB -0.312 28.953 29.460 -0.325 0.000 1.107 251 W HN 0.007 nan 8.180 nan 0.000 0.586 252 L N -0.292 120.817 121.223 -0.190 0.000 2.093 252 L HA -0.133 4.205 4.340 -0.004 0.000 0.208 252 L C 2.617 179.440 176.870 -0.079 0.000 1.085 252 L CA 1.162 55.899 54.840 -0.172 0.000 0.755 252 L CB -1.057 40.976 42.059 -0.042 0.000 0.904 252 L HN -0.018 nan 8.230 nan 0.000 0.435 253 A N -0.216 122.579 122.820 -0.041 0.000 1.854 253 A HA -0.126 4.192 4.320 -0.004 0.000 0.214 253 A C 2.337 179.956 177.584 0.059 0.000 1.192 253 A CA 1.434 53.525 52.037 0.090 0.000 0.611 253 A CB -0.835 18.264 19.000 0.164 0.000 0.832 253 A HN 0.125 nan 8.150 nan 0.000 0.442 254 V N 0.241 120.057 119.914 -0.162 0.000 2.250 254 V HA -0.394 3.724 4.120 -0.004 0.000 0.250 254 V C 2.702 178.693 176.094 -0.171 0.000 1.060 254 V CA 2.569 64.661 62.300 -0.347 0.000 1.030 254 V CB -0.948 30.606 31.823 -0.448 0.000 0.643 254 V HN 0.671 nan 8.190 nan 0.000 0.445 255 Q N -1.125 118.637 119.800 -0.064 0.000 2.172 255 Q HA -0.187 4.151 4.340 -0.004 0.000 0.200 255 Q C 2.274 178.235 176.000 -0.066 0.000 0.964 255 Q CA 1.378 57.149 55.803 -0.053 0.000 0.855 255 Q CB -0.059 28.610 28.738 -0.114 0.000 0.918 255 Q HN 0.704 nan 8.270 nan 0.000 0.444 256 Q N -0.478 119.289 119.800 -0.055 0.000 2.339 256 Q HA -0.028 4.310 4.340 -0.004 0.000 0.205 256 Q C 1.137 177.130 176.000 -0.011 0.000 0.925 256 Q CA 0.662 56.450 55.803 -0.025 0.000 0.898 256 Q CB 0.578 29.313 28.738 -0.004 0.000 1.013 256 Q HN 0.355 nan 8.270 nan 0.000 0.504 257 E N -0.132 120.062 120.200 -0.010 0.000 2.279 257 E HA -0.019 4.329 4.350 -0.004 0.000 0.199 257 E C 1.557 178.047 176.600 -0.182 0.000 0.893 257 E CA 0.022 56.430 56.400 0.013 0.000 0.978 257 E CB 0.106 29.961 29.700 0.259 0.000 0.964 257 E HN 0.016 nan 8.360 nan 0.000 0.486 258 L N 1.594 122.529 121.223 -0.481 0.000 2.007 258 L HA -0.024 4.314 4.340 -0.004 0.000 0.205 258 L C 2.048 178.712 176.870 -0.343 0.000 1.073 258 L CA 1.566 55.930 54.840 -0.793 0.000 0.744 258 L CB -0.452 40.745 42.059 -1.437 0.000 0.898 258 L HN 0.102 nan 8.230 nan 0.000 0.435 259 L N -0.232 120.872 121.223 -0.198 0.000 2.042 259 L HA -0.155 4.183 4.340 -0.004 0.000 0.210 259 L C -0.121 176.810 176.870 0.101 0.000 1.076 259 L CA 1.334 56.192 54.840 0.030 0.000 0.749 259 L CB -2.147 39.976 42.059 0.107 0.000 0.893 259 L HN 0.260 nan 8.230 nan 0.000 0.432 260 P HA -0.182 nan 4.420 nan 0.000 0.218 260 P C 1.730 179.013 177.300 -0.028 0.000 1.149 260 P CA 0.957 64.046 63.100 -0.019 0.000 0.817 260 P CB 0.047 31.726 31.700 -0.035 0.000 0.785 261 L N -0.473 120.724 121.223 -0.042 0.000 2.046 261 L HA -0.115 4.222 4.340 -0.004 0.000 0.208 261 L C 2.078 178.948 176.870 -0.000 0.000 1.077 261 L CA 1.911 56.730 54.840 -0.036 0.000 0.747 261 L CB -1.214 40.804 42.059 -0.067 0.000 0.896 261 L HN -0.180 nan 8.230 nan 0.000 0.432 262 V N -0.245 119.695 119.914 0.042 0.000 2.427 262 V HA -0.261 3.856 4.120 -0.004 0.000 0.248 262 V C 2.651 178.870 176.094 0.208 0.000 1.051 262 V CA 1.875 64.256 62.300 0.135 0.000 1.048 262 V CB -0.691 31.238 31.823 0.177 0.000 0.666 262 V HN 0.492 nan 8.190 nan 0.000 0.456 263 K N 0.244 120.736 120.400 0.153 0.000 2.147 263 K HA -0.145 4.173 4.320 -0.004 0.000 0.205 263 K C 2.001 178.518 176.600 -0.139 0.000 1.049 263 K CA 1.698 57.870 56.287 -0.191 0.000 0.936 263 K CB -0.038 32.151 32.500 -0.517 0.000 0.722 263 K HN 0.545 nan 8.250 nan 0.000 0.446 264 V N -1.900 117.972 119.914 -0.070 0.000 2.951 264 V HA -0.036 4.082 4.120 -0.004 0.000 0.255 264 V C 1.758 177.832 176.094 -0.033 0.000 1.088 264 V CA 0.995 63.259 62.300 -0.060 0.000 1.109 264 V CB -0.267 31.527 31.823 -0.047 0.000 0.724 264 V HN 0.173 nan 8.190 nan 0.000 0.471 265 I N 0.926 121.492 120.570 -0.007 0.000 2.494 265 I HA 0.362 4.529 4.170 -0.004 0.000 0.250 265 I C 1.388 177.514 176.117 0.015 0.000 1.112 265 I CA 1.081 62.385 61.300 0.006 0.000 1.438 265 I CB 0.074 38.087 38.000 0.022 0.000 1.111 265 I HN 0.414 nan 8.210 nan 0.000 0.431 266 A N 1.591 124.437 122.820 0.045 0.000 2.984 266 A HA 0.514 4.832 4.320 -0.004 0.000 0.320 266 A C -2.633 175.005 177.584 0.090 0.000 1.142 266 A CA -1.161 50.915 52.037 0.065 0.000 0.772 266 A CB -0.179 18.884 19.000 0.105 0.000 1.195 266 A HN -0.120 nan 8.150 nan 0.000 0.459 267 P HA 0.387 nan 4.420 nan 0.000 0.266 267 P C -0.590 176.682 177.300 -0.048 0.000 1.193 267 P CA 0.538 63.552 63.100 -0.144 0.000 0.770 267 P CB 0.104 31.719 31.700 -0.141 0.000 0.836 268 F N -1.613 118.294 119.950 -0.072 0.000 2.662 268 F HA 0.593 5.118 4.527 -0.003 0.000 0.312 268 F C -0.051 175.701 175.800 -0.079 0.000 1.113 268 F CA -1.575 56.374 58.000 -0.085 0.000 0.951 268 F CB 0.560 39.515 39.000 -0.075 0.000 1.344 268 F HN 0.083 nan 8.300 nan 0.000 0.462 269 S N 0.412 116.200 115.700 0.147 0.000 2.552 269 S HA 0.061 4.529 4.470 -0.004 0.000 0.289 269 S C 0.361 175.042 174.600 0.134 0.000 1.304 269 S CA -0.187 58.054 58.200 0.068 0.000 1.063 269 S CB 0.023 63.246 63.200 0.038 0.000 0.848 269 S HN 0.654 nan 8.310 nan 0.000 0.499 270 D N 3.059 123.472 120.400 0.021 0.000 2.328 270 D HA 0.068 4.706 4.640 -0.004 0.000 0.221 270 D C 0.128 176.438 176.300 0.016 0.000 1.072 270 D CA 0.159 54.173 54.000 0.024 0.000 0.850 270 D CB 0.122 40.899 40.800 -0.038 0.000 0.922 270 D HN 0.481 nan 8.370 nan 0.000 0.516 271 R N 0.942 121.456 120.500 0.023 0.000 2.343 271 R HA 0.253 4.591 4.340 -0.004 0.000 0.326 271 R C 1.278 177.600 176.300 0.036 0.000 1.055 271 R CA -0.152 55.961 56.100 0.021 0.000 0.961 271 R CB 0.825 31.136 30.300 0.018 0.000 0.978 271 R HN -0.043 nan 8.270 nan 0.000 0.443 272 A N 3.848 126.677 122.820 0.015 0.000 1.940 272 A HA -0.282 4.035 4.320 -0.004 0.000 0.221 272 A C 1.603 179.224 177.584 0.062 0.000 1.190 272 A CA 2.184 54.232 52.037 0.018 0.000 0.647 272 A CB -0.363 18.639 19.000 0.005 0.000 0.821 272 A HN 0.851 nan 8.150 nan 0.000 0.457 273 D N -0.241 120.195 120.400 0.061 0.000 2.371 273 D HA -0.153 4.484 4.640 -0.004 0.000 0.221 273 D C 1.398 177.777 176.300 0.131 0.000 0.986 273 D CA 1.141 55.190 54.000 0.082 0.000 0.899 273 D CB -0.418 40.420 40.800 0.063 0.000 0.902 273 D HN 0.754 nan 8.370 nan 0.000 0.530 274 R N -1.160 119.432 120.500 0.153 0.000 2.508 274 R HA 0.225 4.563 4.340 -0.004 0.000 0.300 274 R C -0.332 176.192 176.300 0.373 0.000 0.970 274 R CA -0.455 55.814 56.100 0.282 0.000 1.102 274 R CB -0.287 30.110 30.300 0.163 0.000 1.246 274 R HN -0.161 nan 8.270 nan 0.000 0.539 275 T N 1.813 116.500 114.554 0.221 0.000 2.728 275 T HA 0.329 4.677 4.350 -0.004 0.000 0.296 275 T C -0.344 174.476 174.700 0.200 0.000 0.940 275 T CA -0.272 61.949 62.100 0.201 0.000 1.013 275 T CB 1.938 70.869 68.868 0.105 0.000 0.912 275 T HN -0.073 nan 8.240 nan 0.000 0.484 276 V N 4.174 124.188 119.914 0.167 0.000 2.547 276 V HA 0.569 4.687 4.120 -0.004 0.000 0.299 276 V C -0.123 176.011 176.094 0.067 0.000 1.040 276 V CA -0.724 61.586 62.300 0.016 0.000 0.913 276 V CB 1.965 33.636 31.823 -0.254 0.000 0.992 276 V HN 0.618 nan 8.190 nan 0.000 0.449 277 V N 4.547 124.461 119.914 -0.001 0.000 2.444 277 V HA 0.906 5.024 4.120 -0.004 0.000 0.294 277 V C -0.151 175.913 176.094 -0.049 0.000 1.022 277 V CA -0.126 62.143 62.300 -0.052 0.000 0.850 277 V CB 1.461 33.076 31.823 -0.347 0.000 0.992 277 V HN 1.093 nan 8.190 nan 0.000 0.426 278 A N 4.721 127.533 122.820 -0.013 0.000 2.343 278 A HA 1.009 5.327 4.320 -0.004 0.000 0.308 278 A C -0.068 177.501 177.584 -0.025 0.000 1.092 278 A CA 0.104 52.105 52.037 -0.060 0.000 0.751 278 A CB 1.712 20.638 19.000 -0.123 0.000 1.203 278 A HN 1.586 nan 8.150 nan 0.000 0.452 279 G N 0.510 109.271 108.800 -0.064 0.000 2.682 279 G HA2 0.599 4.556 3.960 -0.004 0.000 0.290 279 G HA3 0.599 4.556 3.960 -0.004 0.000 0.290 279 G C -1.729 173.032 174.900 -0.231 0.000 1.425 279 G CA -0.590 44.466 45.100 -0.074 0.000 0.807 279 G HN 0.703 nan 8.290 nan 0.000 0.482 280 Q N -0.077 119.516 119.800 -0.346 0.000 2.394 280 Q HA 0.640 4.977 4.340 -0.004 0.000 0.273 280 Q C 0.765 176.440 176.000 -0.542 0.000 1.089 280 Q CA 0.037 55.386 55.803 -0.755 0.000 0.812 280 Q CB 2.214 30.079 28.738 -1.456 0.000 1.353 280 Q HN 1.274 nan 8.270 nan 0.000 0.438 281 S N 0.387 115.797 115.700 -0.483 0.000 4.149 281 S HA -0.377 4.090 4.470 -0.004 0.000 0.539 281 S C 1.189 175.754 174.600 -0.058 0.000 1.811 281 S CA 1.727 59.840 58.200 -0.144 0.000 4.174 281 S CB -1.340 61.892 63.200 0.053 0.000 0.756 281 S HN 0.534 nan 8.310 nan 0.000 0.470 282 F N 3.288 123.139 119.950 -0.165 0.000 2.161 282 F HA 0.103 4.628 4.527 -0.004 0.000 0.300 282 F C 3.004 178.661 175.800 -0.239 0.000 1.089 282 F CA 0.875 58.725 58.000 -0.251 0.000 1.282 282 F CB -1.865 37.005 39.000 -0.217 0.000 1.010 282 F HN 0.676 nan 8.300 nan 0.000 0.485 283 G N -0.673 108.132 108.800 0.007 0.000 2.422 283 G HA2 -0.107 3.851 3.960 -0.004 0.000 0.218 283 G HA3 -0.107 3.851 3.960 -0.004 0.000 0.218 283 G C 2.021 176.905 174.900 -0.027 0.000 1.140 283 G CA 0.811 45.905 45.100 -0.009 0.000 0.775 283 G HN 0.513 nan 8.290 nan 0.000 0.545 284 G N 0.872 109.599 108.800 -0.122 0.000 2.394 284 G HA2 -0.052 3.906 3.960 -0.004 0.000 0.214 284 G HA3 -0.052 3.906 3.960 -0.004 0.000 0.214 284 G C 1.713 176.562 174.900 -0.086 0.000 1.176 284 G CA 0.905 45.937 45.100 -0.113 0.000 0.786 284 G HN 0.398 nan 8.290 nan 0.000 0.533 285 L N 1.139 122.198 121.223 -0.274 0.000 2.013 285 L HA -0.056 4.282 4.340 -0.004 0.000 0.212 285 L C 2.770 179.651 176.870 0.019 0.000 1.073 285 L CA 2.721 57.406 54.840 -0.260 0.000 0.753 285 L CB -0.943 40.863 42.059 -0.422 0.000 0.890 285 L HN 0.202 nan 8.230 nan 0.000 0.432 286 S N -0.900 114.815 115.700 0.024 0.000 2.370 286 S HA -0.196 4.272 4.470 -0.004 0.000 0.226 286 S C 2.118 176.910 174.600 0.320 0.000 1.033 286 S CA 1.298 59.654 58.200 0.260 0.000 1.011 286 S CB -0.573 62.809 63.200 0.302 0.000 0.852 286 S HN 0.729 nan 8.310 nan 0.000 0.457 287 A N 1.127 124.054 122.820 0.179 0.000 1.902 287 A HA -0.046 4.271 4.320 -0.004 0.000 0.217 287 A C 2.122 179.680 177.584 -0.043 0.000 1.181 287 A CA 1.693 53.735 52.037 0.009 0.000 0.623 287 A CB -0.847 18.165 19.000 0.019 0.000 0.818 287 A HN 0.540 nan 8.150 nan 0.000 0.443 288 L N -1.593 119.688 121.223 0.096 0.000 2.027 288 L HA -0.127 4.211 4.340 -0.004 0.000 0.206 288 L C 2.287 179.212 176.870 0.091 0.000 1.074 288 L CA 2.407 57.317 54.840 0.117 0.000 0.745 288 L CB -1.140 41.075 42.059 0.259 0.000 0.898 288 L HN 0.525 nan 8.230 nan 0.000 0.433 289 Y N 0.418 120.748 120.300 0.049 0.000 2.139 289 Y HA -0.353 4.195 4.550 -0.004 0.000 0.282 289 Y C 2.336 178.247 175.900 0.018 0.000 1.179 289 Y CA 2.244 60.395 58.100 0.084 0.000 1.161 289 Y CB -0.608 37.924 38.460 0.119 0.000 0.970 289 Y HN 0.287 nan 8.280 nan 0.000 0.511 290 A N -0.066 122.599 122.820 -0.259 0.000 1.877 290 A HA -0.083 4.235 4.320 -0.004 0.000 0.216 290 A C 2.500 180.017 177.584 -0.112 0.000 1.186 290 A CA 1.686 53.417 52.037 -0.510 0.000 0.620 290 A CB -1.677 16.290 19.000 -1.722 0.000 0.822 290 A HN 0.587 nan 8.150 nan 0.000 0.443 291 G N -0.394 108.328 108.800 -0.130 0.000 2.422 291 G HA2 -0.090 3.868 3.960 -0.004 0.000 0.218 291 G HA3 -0.090 3.868 3.960 -0.004 0.000 0.218 291 G C 1.508 176.353 174.900 -0.091 0.000 1.140 291 G CA 0.951 46.047 45.100 -0.006 0.000 0.775 291 G HN 0.433 nan 8.290 nan 0.000 0.545 292 L N -0.707 120.402 121.223 -0.191 0.000 2.109 292 L HA 0.021 4.358 4.340 -0.004 0.000 0.207 292 L C 2.608 179.129 176.870 -0.581 0.000 1.086 292 L CA 0.873 55.513 54.840 -0.333 0.000 0.760 292 L CB -0.305 41.550 42.059 -0.339 0.000 0.910 292 L HN 0.242 nan 8.230 nan 0.000 0.437 293 H N -2.215 116.444 119.070 -0.686 0.000 2.516 293 H HA 0.048 4.601 4.556 -0.004 0.000 0.284 293 H C 0.374 174.985 175.328 -1.195 0.000 0.999 293 H CA 0.578 55.935 56.048 -1.152 0.000 1.303 293 H CB 0.636 29.164 29.762 -2.056 0.000 1.452 293 H HN 0.322 nan 8.280 nan 0.000 0.530 294 W N 2.700 124.014 121.300 0.023 0.000 1.505 294 W HA 0.227 4.885 4.660 -0.003 0.000 0.300 294 W C -2.104 174.429 176.519 0.024 0.000 0.826 294 W CA -1.744 55.630 57.345 0.048 0.000 2.485 294 W CB 0.385 29.919 29.460 0.123 0.000 2.163 294 W HN 0.097 nan 8.180 nan 0.000 0.518 295 P HA -0.214 nan 4.420 nan 0.000 0.219 295 P C 0.841 178.159 177.300 0.030 0.000 1.146 295 P CA 1.807 64.932 63.100 0.041 0.000 0.808 295 P CB 0.365 32.050 31.700 -0.025 0.000 0.779 296 E N 0.058 120.276 120.200 0.031 0.000 2.209 296 E HA -0.187 4.161 4.350 -0.004 0.000 0.196 296 E C 2.179 178.754 176.600 -0.043 0.000 0.993 296 E CA 1.140 57.545 56.400 0.009 0.000 0.819 296 E CB -0.626 29.091 29.700 0.029 0.000 0.745 296 E HN 0.203 nan 8.360 nan 0.000 0.477 297 R N -0.433 120.003 120.500 -0.107 0.000 2.164 297 R HA 0.204 4.542 4.340 -0.004 0.000 0.198 297 R C -0.399 175.598 176.300 -0.507 0.000 1.028 297 R CA 0.460 56.325 56.100 -0.391 0.000 1.083 297 R CB 0.318 30.222 30.300 -0.659 0.000 1.026 297 R HN 0.073 nan 8.270 nan 0.000 0.514 298 F N 0.141 120.122 119.950 0.051 0.000 2.311 298 F HA 0.456 4.981 4.527 -0.004 0.000 0.371 298 F C 1.098 176.898 175.800 0.001 0.000 1.083 298 F CA -0.914 57.090 58.000 0.007 0.000 1.113 298 F CB 1.788 40.755 39.000 -0.055 0.000 1.349 298 F HN 0.156 nan 8.300 nan 0.000 0.470 299 G N 0.682 109.566 108.800 0.141 0.000 3.088 299 G HA2 0.148 4.105 3.960 -0.004 0.000 0.217 299 G HA3 0.148 4.105 3.960 -0.004 0.000 0.217 299 G C -0.295 174.656 174.900 0.085 0.000 1.159 299 G CA 0.146 45.301 45.100 0.092 0.000 0.760 299 G HN 0.576 nan 8.290 nan 0.000 0.550 300 C N 0.504 119.858 119.300 0.089 0.000 2.396 300 C HA 0.685 5.143 4.460 -0.004 0.000 0.321 300 C C -0.328 174.666 174.990 0.008 0.000 1.233 300 C CA -0.922 58.118 59.018 0.038 0.000 1.440 300 C CB 1.110 28.841 27.740 -0.014 0.000 2.110 300 C HN 0.033 nan 8.230 nan 0.000 0.473 301 V N 4.392 124.308 119.914 0.002 0.000 2.487 301 V HA 0.500 4.617 4.120 -0.004 0.000 0.298 301 V C -0.446 175.635 176.094 -0.022 0.000 1.028 301 V CA -0.403 61.889 62.300 -0.012 0.000 0.860 301 V CB 1.814 33.646 31.823 0.016 0.000 0.991 301 V HN 0.776 nan 8.190 nan 0.000 0.427 302 L N 4.303 125.491 121.223 -0.058 0.000 2.318 302 L HA 0.610 4.948 4.340 -0.004 0.000 0.277 302 L C -0.051 176.785 176.870 -0.056 0.000 1.008 302 L CA 0.092 54.884 54.840 -0.081 0.000 0.846 302 L CB 1.495 43.459 42.059 -0.157 0.000 1.220 302 L HN 0.704 nan 8.230 nan 0.000 0.423 303 S N 4.484 120.182 115.700 -0.004 0.000 2.456 303 S HA 0.506 4.974 4.470 -0.004 0.000 0.316 303 S C -0.821 173.760 174.600 -0.032 0.000 1.089 303 S CA -0.529 57.680 58.200 0.016 0.000 1.101 303 S CB 1.055 64.368 63.200 0.189 0.000 0.995 303 S HN 0.687 nan 8.310 nan 0.000 0.468 304 Q N 2.805 122.501 119.800 -0.175 0.000 2.333 304 Q HA 0.438 4.776 4.340 -0.004 0.000 0.268 304 Q C -0.154 175.672 176.000 -0.290 0.000 1.007 304 Q CA -0.732 54.925 55.803 -0.243 0.000 0.810 304 Q CB 1.755 30.231 28.738 -0.436 0.000 1.264 304 Q HN 0.837 nan 8.270 nan 0.000 0.452 305 S N 0.728 116.406 115.700 -0.035 0.000 3.614 305 S HA -0.181 4.287 4.470 -0.004 0.000 0.360 305 S C 0.478 175.101 174.600 0.038 0.000 1.023 305 S CA 0.335 58.595 58.200 0.099 0.000 1.114 305 S CB -1.342 61.977 63.200 0.197 0.000 0.907 305 S HN 0.930 nan 8.310 nan 0.000 0.470 306 G N 0.870 109.665 108.800 -0.009 0.000 2.380 306 G HA2 0.370 4.328 3.960 -0.004 0.000 0.242 306 G HA3 0.370 4.328 3.960 -0.004 0.000 0.242 306 G C 0.187 174.870 174.900 -0.362 0.000 1.298 306 G CA -0.369 44.525 45.100 -0.343 0.000 0.878 306 G HN 0.507 nan 8.290 nan 0.000 0.542 307 S N 2.017 117.487 115.700 -0.383 0.000 4.183 307 S HA 0.090 4.558 4.470 -0.004 0.000 0.195 307 S C 0.452 174.670 174.600 -0.638 0.000 1.421 307 S CA -0.344 57.662 58.200 -0.323 0.000 0.920 307 S CB -0.310 62.791 63.200 -0.166 0.000 1.525 307 S HN 0.572 nan 8.310 nan 0.000 0.447 308 Y N 0.691 120.978 120.300 -0.022 0.000 2.616 308 Y HA -0.059 4.489 4.550 -0.004 0.000 0.296 308 Y C 1.980 177.946 175.900 0.110 0.000 1.154 308 Y CA -0.226 57.902 58.100 0.046 0.000 1.325 308 Y CB -0.485 38.062 38.460 0.144 0.000 1.007 308 Y HN 0.774 nan 8.280 nan 0.000 0.542 309 W N -1.810 119.687 121.300 0.328 0.000 2.519 309 W HA -0.123 4.535 4.660 -0.004 0.000 0.266 309 W C 0.362 177.025 176.519 0.240 0.000 1.253 309 W CA -0.942 56.564 57.345 0.269 0.000 1.274 309 W CB -1.302 28.289 29.460 0.217 0.000 1.114 309 W HN 0.137 nan 8.180 nan 0.000 0.596 310 W N 6.469 127.448 121.300 -0.535 0.000 2.409 310 W HA -0.059 4.599 4.660 -0.003 0.000 0.338 310 W C -1.291 175.082 176.519 -0.243 0.000 1.273 310 W CA -0.759 56.243 57.345 -0.572 0.000 1.299 310 W CB 0.605 29.578 29.460 -0.812 0.000 1.192 310 W HN -0.240 nan 8.180 nan 0.000 0.565 311 P HA -0.048 nan 4.420 nan 0.000 0.261 311 P C -0.427 176.628 177.300 -0.409 0.000 1.268 311 P CA 0.716 62.926 63.100 -1.484 0.000 0.833 311 P CB 0.195 30.833 31.700 -1.770 0.000 1.231 312 H N 2.033 121.176 119.070 0.122 0.000 2.969 312 H HA 0.157 4.711 4.556 -0.004 0.000 0.269 312 H C 1.196 176.638 175.328 0.190 0.000 1.223 312 H CA -0.232 55.900 56.048 0.140 0.000 1.400 312 H CB 0.224 30.044 29.762 0.097 0.000 1.500 312 H HN 0.272 nan 8.280 nan 0.000 0.486 317 Q N 0.682 120.474 119.800 -0.014 0.000 2.403 317 Q HA 0.257 4.595 4.340 -0.004 0.000 0.267 317 Q C -1.407 174.628 176.000 0.058 0.000 0.991 317 Q CA -0.377 55.374 55.803 -0.087 0.000 0.906 317 Q CB 2.122 30.627 28.738 -0.389 0.000 1.422 317 Q HN 0.361 nan 8.270 nan 0.000 0.400 318 E N 0.698 120.950 120.200 0.087 0.000 2.442 318 E HA 0.110 4.458 4.350 -0.004 0.000 0.262 318 E C 0.191 176.974 176.600 0.304 0.000 1.004 318 E CA 0.388 56.894 56.400 0.177 0.000 0.928 318 E CB 0.532 30.308 29.700 0.127 0.000 0.937 318 E HN 0.668 nan 8.360 nan 0.000 0.446 319 G N 0.742 109.736 108.800 0.324 0.000 2.594 319 G HA2 0.094 4.052 3.960 -0.004 0.000 0.243 319 G HA3 0.094 4.052 3.960 -0.004 0.000 0.243 319 G C 1.189 176.240 174.900 0.251 0.000 1.229 319 G CA -0.130 45.158 45.100 0.313 0.000 0.843 319 G HN 0.457 nan 8.290 nan 0.000 0.578 320 V N 0.783 120.828 119.914 0.218 0.000 2.490 320 V HA -0.130 3.988 4.120 -0.004 0.000 0.250 320 V C 2.483 178.705 176.094 0.213 0.000 1.061 320 V CA 1.642 64.066 62.300 0.206 0.000 1.064 320 V CB -0.881 31.061 31.823 0.198 0.000 0.670 320 V HN 0.465 nan 8.190 nan 0.000 0.461 321 L N -0.156 121.213 121.223 0.244 0.000 1.994 321 L HA -0.041 4.296 4.340 -0.004 0.000 0.208 321 L C 2.338 179.300 176.870 0.154 0.000 1.071 321 L CA 2.275 57.252 54.840 0.229 0.000 0.745 321 L CB -0.960 41.270 42.059 0.284 0.000 0.892 321 L HN 0.414 nan 8.230 nan 0.000 0.431 322 L N -0.001 121.311 121.223 0.148 0.000 1.990 322 L HA -0.270 4.068 4.340 -0.004 0.000 0.213 322 L C 2.504 179.422 176.870 0.081 0.000 1.072 322 L CA 2.274 57.169 54.840 0.092 0.000 0.755 322 L CB -1.213 40.911 42.059 0.110 0.000 0.889 322 L HN 0.567 nan 8.230 nan 0.000 0.432 323 E N -0.620 119.644 120.200 0.107 0.000 2.086 323 E HA -0.277 4.071 4.350 -0.004 0.000 0.200 323 E C 2.011 178.654 176.600 0.073 0.000 1.012 323 E CA 1.717 58.170 56.400 0.089 0.000 0.812 323 E CB -0.004 29.762 29.700 0.112 0.000 0.743 323 E HN 0.517 nan 8.360 nan 0.000 0.453 324 K N -0.037 120.417 120.400 0.090 0.000 2.217 324 K HA -0.116 4.202 4.320 -0.004 0.000 0.202 324 K C 2.166 178.782 176.600 0.028 0.000 1.051 324 K CA 0.353 56.682 56.287 0.071 0.000 0.952 324 K CB -0.097 32.469 32.500 0.110 0.000 0.736 324 K HN 0.165 nan 8.250 nan 0.000 0.453 325 L N 2.037 123.274 121.223 0.023 0.000 2.072 325 L HA -0.094 4.243 4.340 -0.004 0.000 0.205 325 L C 2.130 178.991 176.870 -0.015 0.000 1.079 325 L CA 1.667 56.499 54.840 -0.013 0.000 0.752 325 L CB -0.354 41.695 42.059 -0.017 0.000 0.906 325 L HN 0.024 nan 8.230 nan 0.000 0.436 326 K N -0.804 119.596 120.400 0.001 0.000 2.032 326 K HA -0.142 4.176 4.320 -0.004 0.000 0.209 326 K C 1.795 178.392 176.600 -0.006 0.000 1.048 326 K CA 1.557 57.842 56.287 -0.003 0.000 0.927 326 K CB -0.321 32.185 32.500 0.010 0.000 0.712 326 K HN 0.360 nan 8.250 nan 0.000 0.441 327 A N 0.242 123.064 122.820 0.004 0.000 2.239 327 A HA 0.087 4.405 4.320 -0.004 0.000 0.209 327 A C 1.367 178.945 177.584 -0.009 0.000 1.171 327 A CA 1.092 53.130 52.037 0.003 0.000 0.768 327 A CB -0.515 18.494 19.000 0.016 0.000 0.790 327 A HN 0.503 nan 8.150 nan 0.000 0.478 328 G N -0.568 108.220 108.800 -0.020 0.000 2.168 328 G HA2 -0.326 3.632 3.960 -0.004 0.000 0.257 328 G HA3 -0.326 3.632 3.960 -0.004 0.000 0.257 328 G C 0.617 175.493 174.900 -0.040 0.000 0.997 328 G CA 0.750 45.830 45.100 -0.034 0.000 0.708 328 G HN 0.639 nan 8.290 nan 0.000 0.520 329 E N -0.933 119.249 120.200 -0.030 0.000 2.150 329 E HA 0.075 4.423 4.350 -0.004 0.000 0.193 329 E C 1.301 177.848 176.600 -0.089 0.000 0.985 329 E CA 1.468 57.849 56.400 -0.032 0.000 0.814 329 E CB 0.025 29.729 29.700 0.007 0.000 0.752 329 E HN 0.930 nan 8.360 nan 0.000 0.466 330 V N -2.090 117.751 119.914 -0.120 0.000 2.876 330 V HA 0.557 4.675 4.120 -0.004 0.000 0.312 330 V C -0.486 175.508 176.094 -0.167 0.000 1.085 330 V CA -1.108 61.059 62.300 -0.222 0.000 0.945 330 V CB 2.036 33.647 31.823 -0.355 0.000 1.017 330 V HN -0.107 nan 8.190 nan 0.000 0.428 331 S N 1.892 117.481 115.700 -0.184 0.000 2.537 331 S HA 0.767 5.235 4.470 -0.004 0.000 0.301 331 S C 0.704 175.221 174.600 -0.139 0.000 1.092 331 S CA 0.030 58.149 58.200 -0.134 0.000 1.048 331 S CB 1.789 64.924 63.200 -0.109 0.000 1.053 331 S HN 1.755 nan 8.310 nan 0.000 0.501 332 A N 3.232 125.991 122.820 -0.102 0.000 2.411 332 A HA 0.295 4.612 4.320 -0.004 0.000 0.251 332 A C 0.494 178.039 177.584 -0.065 0.000 1.317 332 A CA -0.147 51.840 52.037 -0.083 0.000 0.904 332 A CB -0.190 18.771 19.000 -0.065 0.000 0.993 332 A HN 0.756 nan 8.150 nan 0.000 0.504 333 E N -0.438 119.719 120.200 -0.071 0.000 2.354 333 E HA 0.359 4.707 4.350 -0.004 0.000 0.269 333 E C 0.907 177.482 176.600 -0.043 0.000 1.036 333 E CA 0.790 57.158 56.400 -0.054 0.000 0.876 333 E CB 0.855 30.522 29.700 -0.055 0.000 1.009 333 E HN 0.686 nan 8.360 nan 0.000 0.416 334 G N 2.639 111.424 108.800 -0.026 0.000 2.198 334 G HA2 -0.246 3.712 3.960 -0.004 0.000 0.257 334 G HA3 -0.246 3.712 3.960 -0.004 0.000 0.257 334 G C -0.110 174.792 174.900 0.004 0.000 1.042 334 G CA 0.067 45.161 45.100 -0.010 0.000 0.791 334 G HN 0.320 nan 8.290 nan 0.000 0.502 335 L N -0.771 120.455 121.223 0.005 0.000 2.410 335 L HA 0.627 4.965 4.340 -0.004 0.000 0.270 335 L C 0.426 177.321 176.870 0.042 0.000 0.983 335 L CA -1.027 53.826 54.840 0.022 0.000 0.822 335 L CB 2.057 44.120 42.059 0.008 0.000 1.285 335 L HN 0.121 nan 8.230 nan 0.000 0.409 336 R N 3.536 124.078 120.500 0.071 0.000 2.393 336 R HA 0.745 5.083 4.340 -0.004 0.000 0.310 336 R C -1.091 175.285 176.300 0.127 0.000 0.968 336 R CA -0.466 55.704 56.100 0.116 0.000 0.867 336 R CB 1.965 32.361 30.300 0.160 0.000 1.124 336 R HN 0.469 nan 8.270 nan 0.000 0.450 337 I N 2.344 123.018 120.570 0.174 0.000 2.533 337 I HA 0.303 4.471 4.170 -0.004 0.000 0.290 337 I C -0.605 175.666 176.117 0.257 0.000 1.056 337 I CA -1.160 60.237 61.300 0.161 0.000 1.057 337 I CB 2.370 40.448 38.000 0.130 0.000 1.240 337 I HN 0.204 nan 8.210 nan 0.000 0.423 338 V N 6.525 126.537 119.914 0.162 0.000 2.383 338 V HA 0.384 4.502 4.120 -0.004 0.000 0.275 338 V C -0.512 175.659 176.094 0.130 0.000 1.036 338 V CA -0.495 61.892 62.300 0.146 0.000 0.889 338 V CB 1.659 33.464 31.823 -0.030 0.000 0.985 338 V HN 0.387 nan 8.190 nan 0.000 0.459 339 L N 5.511 126.840 121.223 0.176 0.000 2.372 339 L HA 0.614 4.952 4.340 -0.004 0.000 0.273 339 L C -0.491 176.415 176.870 0.061 0.000 0.989 339 L CA 0.238 55.202 54.840 0.207 0.000 0.841 339 L CB 1.474 43.755 42.059 0.369 0.000 1.225 339 L HN 0.780 nan 8.230 nan 0.000 0.414 340 E N 3.710 123.908 120.200 -0.005 0.000 2.293 340 E HA 0.886 5.234 4.350 -0.004 0.000 0.270 340 E C -1.772 174.788 176.600 -0.067 0.000 0.879 340 E CA -0.808 55.506 56.400 -0.142 0.000 0.756 340 E CB 2.129 31.773 29.700 -0.093 0.000 1.208 340 E HN 0.725 nan 8.360 nan 0.000 0.428 341 A N 2.121 124.863 122.820 -0.130 0.000 2.594 341 A HA 0.713 5.030 4.320 -0.004 0.000 0.295 341 A C -0.623 176.961 177.584 -0.001 0.000 1.071 341 A CA -0.229 51.820 52.037 0.020 0.000 0.685 341 A CB 1.623 20.683 19.000 0.099 0.000 1.285 341 A HN 0.582 nan 8.150 nan 0.000 0.405 342 G N 0.010 108.863 108.800 0.087 0.000 2.400 342 G HA2 0.501 4.459 3.960 -0.004 0.000 0.301 342 G HA3 0.501 4.459 3.960 -0.004 0.000 0.301 342 G C 0.904 175.845 174.900 0.069 0.000 1.154 342 G CA -0.084 45.047 45.100 0.052 0.000 0.852 342 G HN 1.371 nan 8.290 nan 0.000 0.511 343 I N -0.382 120.213 120.570 0.042 0.000 2.493 343 I HA 0.023 4.191 4.170 -0.004 0.000 0.254 343 I C 1.501 177.663 176.117 0.075 0.000 1.160 343 I CA 0.394 61.732 61.300 0.063 0.000 1.445 343 I CB -0.033 37.996 38.000 0.047 0.000 1.086 343 I HN 0.159 nan 8.210 nan 0.000 0.433 344 R N 2.657 123.188 120.500 0.051 0.000 2.363 344 R HA 0.124 4.461 4.340 -0.004 0.000 0.236 344 R C -0.195 176.155 176.300 0.082 0.000 0.966 344 R CA 0.189 56.277 56.100 -0.021 0.000 1.100 344 R CB -1.002 29.265 30.300 -0.054 0.000 1.125 344 R HN 0.718 nan 8.270 nan 0.000 0.514 345 E N -0.093 120.212 120.200 0.176 0.000 3.386 345 E HA 0.329 4.677 4.350 -0.004 0.000 0.236 345 E C -2.605 174.123 176.600 0.212 0.000 1.227 345 E CA -1.967 54.576 56.400 0.239 0.000 0.970 345 E CB 0.842 30.703 29.700 0.268 0.000 1.343 345 E HN -0.121 nan 8.360 nan 0.000 0.397 351 A N 1.678 124.684 122.820 0.310 0.000 1.933 351 A HA -0.146 4.172 4.320 -0.004 0.000 0.218 351 A C 1.577 179.372 177.584 0.352 0.000 1.175 351 A CA 2.015 54.265 52.037 0.356 0.000 0.628 351 A CB -0.625 18.662 19.000 0.478 0.000 0.814 351 A HN 0.335 nan 8.150 nan 0.000 0.444 352 N N -0.402 118.544 118.700 0.410 0.000 2.142 352 N HA -0.135 4.603 4.740 -0.004 0.000 0.186 352 N C 1.970 177.684 175.510 0.340 0.000 1.023 352 N CA 1.540 54.853 53.050 0.439 0.000 0.852 352 N CB -0.223 38.589 38.487 0.542 0.000 0.998 352 N HN 0.638 nan 8.380 nan 0.000 0.424 353 Q N 0.187 120.190 119.800 0.338 0.000 2.084 353 Q HA -0.060 4.278 4.340 -0.004 0.000 0.202 353 Q C 2.166 178.211 176.000 0.075 0.000 0.978 353 Q CA 1.438 57.336 55.803 0.160 0.000 0.844 353 Q CB -0.166 28.704 28.738 0.220 0.000 0.898 353 Q HN 0.419 nan 8.270 nan 0.000 0.426 354 A N 0.987 123.874 122.820 0.111 0.000 1.908 354 A HA -0.192 4.126 4.320 -0.004 0.000 0.218 354 A C 2.068 179.665 177.584 0.021 0.000 1.181 354 A CA 1.304 53.383 52.037 0.069 0.000 0.627 354 A CB -0.617 18.446 19.000 0.106 0.000 0.818 354 A HN 0.350 nan 8.150 nan 0.000 0.445 355 L N -1.792 119.440 121.223 0.015 0.000 2.005 355 L HA -0.125 4.212 4.340 -0.004 0.000 0.207 355 L C 2.280 179.111 176.870 -0.065 0.000 1.072 355 L CA 2.338 57.132 54.840 -0.076 0.000 0.744 355 L CB -1.008 40.897 42.059 -0.257 0.000 0.895 355 L HN 0.481 nan 8.230 nan 0.000 0.433 356 Y N 0.701 120.863 120.300 -0.230 0.000 2.081 356 Y HA -0.344 4.204 4.550 -0.004 0.000 0.280 356 Y C 2.484 178.236 175.900 -0.246 0.000 1.163 356 Y CA 1.959 59.848 58.100 -0.351 0.000 1.135 356 Y CB -1.049 36.913 38.460 -0.829 0.000 0.970 356 Y HN 0.309 nan 8.280 nan 0.000 0.498 357 A N -0.249 122.437 122.820 -0.224 0.000 1.927 357 A HA -0.353 3.965 4.320 -0.004 0.000 0.220 357 A C 2.180 179.666 177.584 -0.164 0.000 1.185 357 A CA 2.311 54.222 52.037 -0.211 0.000 0.639 357 A CB -0.998 17.938 19.000 -0.108 0.000 0.820 357 A HN 0.592 nan 8.150 nan 0.000 0.451 358 Q N -0.249 119.479 119.800 -0.119 0.000 2.167 358 Q HA 0.045 4.382 4.340 -0.004 0.000 0.202 358 Q C 1.484 177.428 176.000 -0.094 0.000 0.970 358 Q CA 1.265 57.016 55.803 -0.087 0.000 0.855 358 Q CB -0.452 28.250 28.738 -0.060 0.000 0.911 358 Q HN 0.654 nan 8.270 nan 0.000 0.438 359 L N 0.365 121.505 121.223 -0.138 0.000 2.627 359 L HA -0.009 4.329 4.340 -0.004 0.000 0.233 359 L C 1.965 178.728 176.870 -0.179 0.000 1.144 359 L CA 0.059 54.818 54.840 -0.135 0.000 0.892 359 L CB -0.576 41.419 42.059 -0.107 0.000 1.039 359 L HN 0.421 nan 8.230 nan 0.000 0.442 360 H N 2.218 121.113 119.070 -0.291 0.000 2.292 360 H HA -0.192 4.362 4.556 -0.004 0.000 0.292 360 H C -0.555 174.662 175.328 -0.184 0.000 1.100 360 H CA 2.453 58.332 56.048 -0.282 0.000 1.238 360 H CB -0.852 28.765 29.762 -0.242 0.000 1.355 360 H HN 0.215 nan 8.280 nan 0.000 0.484 361 P HA -0.107 nan 4.420 nan 0.000 0.222 361 P C 0.928 178.165 177.300 -0.106 0.000 1.142 361 P CA 1.001 64.073 63.100 -0.047 0.000 0.788 361 P CB 0.095 31.780 31.700 -0.024 0.000 0.767 362 I N -0.892 119.600 120.570 -0.130 0.000 3.707 362 I HA 0.091 4.258 4.170 -0.004 0.000 0.330 362 I C 1.685 177.719 176.117 -0.137 0.000 1.572 362 I CA -0.120 61.114 61.300 -0.110 0.000 1.104 362 I CB -0.464 37.493 38.000 -0.072 0.000 1.240 362 I HN -0.046 nan 8.210 nan 0.000 0.475 363 K N 1.378 121.638 120.400 -0.233 0.000 2.097 363 K HA -0.145 4.173 4.320 -0.004 0.000 0.206 363 K C 1.062 177.576 176.600 -0.144 0.000 1.049 363 K CA 1.607 57.733 56.287 -0.267 0.000 0.933 363 K CB 0.253 32.452 32.500 -0.503 0.000 0.717 363 K HN 0.356 nan 8.250 nan 0.000 0.442 364 E N 0.288 120.400 120.200 -0.147 0.000 2.371 364 E HA 0.002 4.350 4.350 -0.004 0.000 0.194 364 E C 1.010 177.523 176.600 -0.146 0.000 1.012 364 E CA 0.421 56.744 56.400 -0.129 0.000 0.860 364 E CB 0.342 29.973 29.700 -0.114 0.000 0.811 364 E HN 0.232 nan 8.360 nan 0.000 0.502 365 S N 0.711 116.347 115.700 -0.107 0.000 2.754 365 S HA 0.151 4.619 4.470 -0.004 0.000 0.223 365 S C 0.430 174.991 174.600 -0.066 0.000 0.951 365 S CA 0.268 58.416 58.200 -0.085 0.000 0.954 365 S CB -0.029 63.154 63.200 -0.028 0.000 0.780 365 S HN 0.137 nan 8.310 nan 0.000 0.509 366 I N 1.224 121.744 120.570 -0.082 0.000 2.406 366 I HA 0.380 4.548 4.170 -0.004 0.000 0.290 366 I C -1.143 174.950 176.117 -0.039 0.000 0.999 366 I CA -0.805 60.527 61.300 0.054 0.000 1.124 366 I CB 1.507 39.638 38.000 0.219 0.000 1.289 366 I HN 0.004 nan 8.210 nan 0.000 0.441 367 F N 5.703 125.725 119.950 0.120 0.000 2.368 367 F HA 0.191 4.716 4.527 -0.004 0.000 0.362 367 F C 0.042 175.912 175.800 0.117 0.000 1.137 367 F CA -0.343 57.715 58.000 0.096 0.000 1.161 367 F CB 0.515 39.538 39.000 0.038 0.000 1.265 367 F HN 0.501 nan 8.300 nan 0.000 0.530 368 W N 6.860 128.157 121.300 -0.006 0.000 2.349 368 W HA 0.530 5.188 4.660 -0.004 0.000 0.309 368 W C -1.059 175.399 176.519 -0.101 0.000 1.083 368 W CA -0.866 56.360 57.345 -0.198 0.000 1.224 368 W CB 0.887 29.983 29.460 -0.605 0.000 1.256 368 W HN 0.417 nan 8.180 nan 0.000 0.461 369 R N 4.920 124.997 120.500 -0.706 0.000 2.575 369 R HA 0.313 4.650 4.340 -0.004 0.000 0.293 369 R C -0.545 175.282 176.300 -0.789 0.000 0.983 369 R CA -0.851 54.897 56.100 -0.586 0.000 0.887 369 R CB 2.951 33.089 30.300 -0.269 0.000 1.184 369 R HN 0.590 nan 8.270 nan 0.000 0.445 370 Q N 0.995 120.460 119.800 -0.558 0.000 2.248 370 Q HA 0.690 5.028 4.340 -0.004 0.000 0.263 370 Q C -0.742 175.142 176.000 -0.193 0.000 1.007 370 Q CA -1.086 54.500 55.803 -0.362 0.000 0.877 370 Q CB 2.794 31.379 28.738 -0.255 0.000 1.315 370 Q HN 0.252 nan 8.270 nan 0.000 0.454 371 V N 0.543 120.383 119.914 -0.123 0.000 2.888 371 V HA 0.094 4.212 4.120 -0.004 0.000 0.309 371 V C -1.002 175.055 176.094 -0.062 0.000 1.114 371 V CA -0.844 61.401 62.300 -0.092 0.000 0.940 371 V CB 2.103 33.872 31.823 -0.090 0.000 1.021 371 V HN 0.724 nan 8.190 nan 0.000 0.426 372 D N 2.721 123.085 120.400 -0.061 0.000 2.600 372 D HA 0.498 5.136 4.640 -0.004 0.000 0.226 372 D C 0.293 176.524 176.300 -0.115 0.000 1.119 372 D CA 0.931 54.915 54.000 -0.026 0.000 1.051 372 D CB 0.095 40.912 40.800 0.027 0.000 1.106 372 D HN 0.874 nan 8.370 nan 0.000 0.491 373 G N -0.461 108.275 108.800 -0.106 0.000 2.606 373 G HA2 0.592 4.550 3.960 -0.004 0.000 0.300 373 G HA3 0.592 4.550 3.960 -0.004 0.000 0.300 373 G C -0.126 174.731 174.900 -0.071 0.000 1.360 373 G CA -0.269 44.717 45.100 -0.189 0.000 0.783 373 G HN 0.342 nan 8.290 nan 0.000 0.484 374 G N -2.042 106.698 108.800 -0.100 0.000 2.940 374 G HA2 0.448 4.405 3.960 -0.004 0.000 0.164 374 G HA3 0.448 4.405 3.960 -0.004 0.000 0.164 374 G C -0.632 174.232 174.900 -0.060 0.000 1.326 374 G CA -0.461 44.630 45.100 -0.015 0.000 1.020 374 G HN 0.616 nan 8.290 nan 0.000 0.586 375 H N 1.299 120.317 119.070 -0.087 0.000 3.014 375 H HA 0.321 4.874 4.556 -0.004 0.000 0.266 375 H C -1.208 173.814 175.328 -0.510 0.000 1.455 375 H CA 0.164 56.163 56.048 -0.082 0.000 1.402 375 H CB -0.008 29.814 29.762 0.101 0.000 1.626 375 H HN 0.257 nan 8.280 nan 0.000 0.520 376 D N 2.581 122.231 120.400 -1.249 0.000 2.738 376 D HA 0.141 4.779 4.640 -0.004 0.000 0.218 376 D C 0.716 176.081 176.300 -1.559 0.000 1.345 376 D CA -0.241 53.126 54.000 -1.054 0.000 0.943 376 D CB 1.444 41.910 40.800 -0.558 0.000 1.514 376 D HN 0.482 nan 8.370 nan 0.000 0.585 377 A N 3.267 125.411 122.820 -1.127 0.000 1.986 377 A HA -0.193 4.125 4.320 -0.004 0.000 0.220 377 A C 1.983 179.366 177.584 -0.336 0.000 1.171 377 A CA 1.242 52.977 52.037 -0.504 0.000 0.640 377 A CB -0.292 18.438 19.000 -0.450 0.000 0.811 377 A HN 0.555 nan 8.150 nan 0.000 0.451 378 L N -0.630 120.367 121.223 -0.377 0.000 2.079 378 L HA -0.177 4.161 4.340 -0.004 0.000 0.210 378 L C 2.557 179.176 176.870 -0.418 0.000 1.081 378 L CA 2.196 56.778 54.840 -0.430 0.000 0.752 378 L CB -0.798 41.110 42.059 -0.252 0.000 0.896 378 L HN 0.538 nan 8.230 nan 0.000 0.433 379 C N -1.246 117.792 119.300 -0.437 0.000 2.476 379 C HA -0.150 4.308 4.460 -0.004 0.000 0.278 379 C C 2.529 177.422 174.990 -0.161 0.000 1.274 379 C CA 0.319 59.117 59.018 -0.367 0.000 1.713 379 C CB -1.247 26.219 27.740 -0.458 0.000 2.039 379 C HN 0.763 nan 8.230 nan 0.000 0.484 380 W N 2.134 123.350 121.300 -0.140 0.000 2.402 380 W HA -0.003 4.655 4.660 -0.004 0.000 0.286 380 W C 2.689 179.143 176.519 -0.107 0.000 1.221 380 W CA 1.212 58.508 57.345 -0.080 0.000 1.257 380 W CB -1.119 28.365 29.460 0.040 0.000 1.120 380 W HN 0.547 nan 8.180 nan 0.000 0.551 381 R N 0.208 120.759 120.500 0.085 0.000 2.120 381 R HA -0.054 4.284 4.340 -0.004 0.000 0.234 381 R C 2.276 178.560 176.300 -0.027 0.000 1.123 381 R CA 1.842 57.880 56.100 -0.104 0.000 0.975 381 R CB -1.336 28.583 30.300 -0.635 0.000 0.866 381 R HN 0.063 nan 8.270 nan 0.000 0.446 382 G N 0.568 109.303 108.800 -0.108 0.000 2.394 382 G HA2 -0.124 3.834 3.960 -0.004 0.000 0.214 382 G HA3 -0.124 3.834 3.960 -0.004 0.000 0.214 382 G C 1.585 176.488 174.900 0.006 0.000 1.176 382 G CA 0.466 45.569 45.100 0.005 0.000 0.786 382 G HN 0.463 nan 8.290 nan 0.000 0.533 383 G N 0.339 109.124 108.800 -0.024 0.000 2.448 383 G HA2 0.057 4.015 3.960 -0.004 0.000 0.219 383 G HA3 0.057 4.015 3.960 -0.004 0.000 0.219 383 G C 0.969 175.813 174.900 -0.094 0.000 1.127 383 G CA 0.586 45.656 45.100 -0.050 0.000 0.766 383 G HN 0.423 nan 8.290 nan 0.000 0.552 387 G N 1.448 110.133 108.800 -0.192 0.000 2.402 387 G HA2 -0.131 3.827 3.960 -0.004 0.000 0.216 387 G HA3 -0.131 3.827 3.960 -0.004 0.000 0.216 387 G C 1.183 175.885 174.900 -0.329 0.000 1.162 387 G CA 1.067 46.007 45.100 -0.267 0.000 0.777 387 G HN 0.273 nan 8.290 nan 0.000 0.539 388 L N 0.066 121.111 121.223 -0.297 0.000 2.046 388 L HA -0.011 4.326 4.340 -0.004 0.000 0.208 388 L C 2.832 179.575 176.870 -0.212 0.000 1.077 388 L CA 0.595 55.190 54.840 -0.408 0.000 0.747 388 L CB -0.356 41.535 42.059 -0.281 0.000 0.896 388 L HN 0.193 nan 8.230 nan 0.000 0.432 389 I N -0.011 120.511 120.570 -0.079 0.000 2.127 389 I HA -0.334 3.834 4.170 -0.004 0.000 0.241 389 I C 2.169 178.243 176.117 -0.072 0.000 1.075 389 I CA 1.439 62.742 61.300 0.004 0.000 1.334 389 I CB -0.475 37.509 38.000 -0.026 0.000 1.040 389 I HN 0.304 nan 8.210 nan 0.000 0.405 390 D N 0.811 121.037 120.400 -0.290 0.000 2.117 390 D HA -0.144 4.493 4.640 -0.004 0.000 0.197 390 D C 2.334 178.377 176.300 -0.429 0.000 0.987 390 D CA 1.321 54.979 54.000 -0.570 0.000 0.829 390 D CB -0.345 39.600 40.800 -1.424 0.000 0.961 390 D HN 0.340 nan 8.370 nan 0.000 0.460 391 L N -0.668 120.331 121.223 -0.373 0.000 2.141 391 L HA -0.089 4.249 4.340 -0.004 0.000 0.209 391 L C 2.129 178.998 176.870 -0.002 0.000 1.094 391 L CA 0.638 55.348 54.840 -0.217 0.000 0.763 391 L CB -0.164 41.669 42.059 -0.376 0.000 0.908 391 L HN 0.112 nan 8.230 nan 0.000 0.437 392 W N -0.194 121.123 121.300 0.028 0.000 3.197 392 W HA 0.069 4.727 4.660 -0.003 0.000 0.274 392 W C 2.305 178.920 176.519 0.160 0.000 1.297 392 W CA -0.173 57.216 57.345 0.074 0.000 1.662 392 W CB -0.318 29.190 29.460 0.080 0.000 1.106 392 W HN 0.235 nan 8.180 nan 0.000 0.663 393 Q N 1.275 121.293 119.800 0.363 0.000 2.096 393 Q HA -0.203 4.135 4.340 -0.004 0.000 0.208 393 Q C -0.595 175.603 176.000 0.331 0.000 0.993 393 Q CA 2.575 58.602 55.803 0.372 0.000 0.862 393 Q CB -1.416 27.460 28.738 0.230 0.000 0.915 393 Q HN 0.036 nan 8.270 nan 0.000 0.416 394 P HA -0.140 nan 4.420 nan 0.000 0.221 394 P C 0.402 177.760 177.300 0.097 0.000 1.145 394 P CA 1.033 64.232 63.100 0.164 0.000 0.795 394 P CB -0.093 31.692 31.700 0.141 0.000 0.775 395 L N -3.412 117.835 121.223 0.039 0.000 2.549 395 L HA -0.022 4.316 4.340 -0.004 0.000 0.229 395 L C 0.795 177.461 176.870 -0.339 0.000 1.158 395 L CA 0.568 55.291 54.840 -0.195 0.000 0.842 395 L CB -0.536 41.300 42.059 -0.371 0.000 0.952 395 L HN -0.054 nan 8.230 nan 0.000 0.452 396 F N 0.000 119.977 119.950 0.045 0.000 2.286 396 F HA 0.000 4.525 4.527 -0.004 0.000 0.279 396 F CA 0.000 58.021 58.000 0.036 0.000 1.383 396 F CB 0.000 39.027 39.000 0.045 0.000 1.145 396 F HN 0.000 nan 8.300 nan 0.000 0.574