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 3iyj_1_E DATA FIRST_RESID 2 DATA SEQUENCE ALWQQGQKLY LPPTPVSKVL CSETYVQRKS IFYHAETERL LTIGHPYYPV DATA SEQUENCE SIGAKTVPKV SANQYRVFKI QLPDPNQFAL PDRTVHNPSK ERLVWAVIGV DATA SEQUENCE QVSRGQPLGG TVTGHPTFNA LLDAENVNRK VTTQTTDDRK QTGLDAKQQQ DATA SEQUENCE ILLLGCTPAE GEYWTTARPC VTDRLENGAC PPLELKNKHI EDGDMMEIGF DATA SEQUENCE GAANFKEINA SKSDLPLDIQ NEICLYPDYL KMAEDAAGNS MFFFARKEQV DATA SEQUENCE YVRHIWTRGG SEKEAPTTDF YLKNNKGDAT LKIPSVHFGS PSGSLVSTDN DATA SEQUENCE QIFNRPYWLF RAQGMNNGIA WNNLLFLTVG DNTRGTNLTI SVASDGTPLT DATA SEQUENCE EYDSSKFNVY HRHMEEYKLA FILELCSVEI TAQTVSHLQG LMPSVLENWE DATA SEQUENCE IGVQPPTSSI LEDTYRYIES PATKCASNVI PAKEDPYAGF KFWNIDLKEK DATA SEQUENCE LSLDLDQFPL GRRFLAQQGA GCSTVRKRRI S 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 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.632 177.584 0.080 0.000 1.274 2 A CA 0.000 52.070 52.037 0.055 0.000 0.836 2 A CB 0.000 19.024 19.000 0.041 0.000 0.831 3 L N -1.033 120.253 121.223 0.105 0.000 2.410 3 L HA 1.036 5.376 4.340 -0.000 0.000 0.270 3 L C -0.996 176.002 176.870 0.214 0.000 0.983 3 L CA -1.119 53.798 54.840 0.129 0.000 0.822 3 L CB 1.121 43.224 42.059 0.073 0.000 1.285 3 L HN 0.805 nan 8.230 nan 0.000 0.409 4 W N 4.535 125.838 121.300 0.004 0.000 3.097 4 W HA 0.742 5.402 4.660 -0.000 0.000 0.335 4 W C -1.312 175.210 176.519 0.005 0.000 1.114 4 W CA -0.090 57.257 57.345 0.005 0.000 1.231 4 W CB 1.712 31.175 29.460 0.005 0.000 1.388 4 W HN 0.962 nan 8.180 nan 0.000 0.485 5 Q N 3.361 122.702 119.800 -0.766 0.000 2.544 5 Q HA 0.687 5.027 4.340 -0.000 0.000 0.291 5 Q C -1.741 173.672 176.000 -0.978 0.000 1.068 5 Q CA -1.245 54.125 55.803 -0.722 0.000 0.785 5 Q CB 2.634 31.183 28.738 -0.316 0.000 1.481 5 Q HN 0.381 nan 8.270 nan 0.000 0.430 6 Q N -0.248 119.191 119.800 -0.601 0.000 2.274 6 Q HA 0.621 4.961 4.340 -0.000 0.000 0.268 6 Q C -1.677 174.203 176.000 -0.201 0.000 1.015 6 Q CA -0.163 55.391 55.803 -0.414 0.000 0.775 6 Q CB 2.321 30.859 28.738 -0.333 0.000 1.256 6 Q HN 0.870 nan 8.270 nan 0.000 0.442 7 G N 3.500 112.207 108.800 -0.155 0.000 2.728 7 G HA2 0.613 4.573 3.960 -0.000 0.000 0.296 7 G HA3 0.613 4.573 3.960 -0.000 0.000 0.296 7 G C -1.366 173.500 174.900 -0.057 0.000 1.401 7 G CA -0.393 44.654 45.100 -0.089 0.000 1.007 7 G HN 0.630 nan 8.290 nan 0.000 0.527 8 Q N 0.126 119.909 119.800 -0.029 0.000 2.575 8 Q HA 0.628 4.968 4.340 -0.000 0.000 0.290 8 Q C -1.639 174.375 176.000 0.023 0.000 0.963 8 Q CA -1.321 54.484 55.803 0.003 0.000 0.783 8 Q CB 1.994 30.739 28.738 0.012 0.000 1.467 8 Q HN 0.261 nan 8.270 nan 0.000 0.402 9 K N 1.654 122.091 120.400 0.061 0.000 2.507 9 K HA 0.451 4.771 4.320 -0.000 0.000 0.253 9 K C -1.626 175.077 176.600 0.173 0.000 0.969 9 K CA -0.616 55.725 56.287 0.089 0.000 0.908 9 K CB 0.865 33.442 32.500 0.130 0.000 1.127 9 K HN 0.580 nan 8.250 nan 0.000 0.437 10 L N 2.100 123.396 121.223 0.122 0.000 2.307 10 L HA 0.615 4.955 4.340 -0.000 0.000 0.284 10 L C -0.954 176.038 176.870 0.203 0.000 1.023 10 L CA -0.626 54.322 54.840 0.181 0.000 0.810 10 L CB 0.336 42.455 42.059 0.099 0.000 1.231 10 L HN 0.363 nan 8.230 nan 0.000 0.423 11 Y N 3.202 123.509 120.300 0.012 0.000 2.679 11 Y HA 0.888 5.438 4.550 -0.000 0.000 0.331 11 Y C -0.155 175.753 175.900 0.013 0.000 1.183 11 Y CA -1.294 56.813 58.100 0.012 0.000 1.290 11 Y CB 1.295 39.762 38.460 0.011 0.000 1.489 11 Y HN 0.539 nan 8.280 nan 0.000 0.583 12 L N 0.926 122.284 121.223 0.225 0.000 2.556 12 L HA 0.428 4.768 4.340 -0.000 0.000 0.257 12 L C -2.359 174.578 176.870 0.111 0.000 0.955 12 L CA -1.739 53.175 54.840 0.122 0.000 0.850 12 L CB 1.958 44.062 42.059 0.075 0.000 1.398 12 L HN 0.518 nan 8.230 nan 0.000 0.412 13 P HA 0.197 nan 4.420 nan 0.000 0.271 13 P C -2.655 174.679 177.300 0.056 0.000 1.238 13 P CA -0.729 62.407 63.100 0.061 0.000 0.794 13 P CB -0.505 31.221 31.700 0.044 0.000 0.959 14 P HA 0.032 nan 4.420 nan 0.000 0.271 14 P C 0.118 177.439 177.300 0.036 0.000 1.216 14 P CA -0.018 63.107 63.100 0.043 0.000 0.771 14 P CB 0.003 31.727 31.700 0.040 0.000 0.864 15 T N 1.168 115.741 114.554 0.032 0.000 2.946 15 T HA 0.089 4.439 4.350 -0.000 0.000 0.312 15 T C -1.743 172.974 174.700 0.029 0.000 1.066 15 T CA -1.151 60.966 62.100 0.028 0.000 1.138 15 T CB -0.968 67.914 68.868 0.024 0.000 1.014 15 T HN 0.357 nan 8.240 nan 0.000 0.544 16 P HA 0.202 nan 4.420 nan 0.000 0.264 16 P C -0.685 176.633 177.300 0.030 0.000 1.229 16 P CA -0.284 62.833 63.100 0.030 0.000 0.780 16 P CB 0.265 31.982 31.700 0.028 0.000 0.808 17 V N 3.733 123.667 119.914 0.033 0.000 2.427 17 V HA 0.097 4.217 4.120 -0.000 0.000 0.286 17 V C 0.847 176.967 176.094 0.043 0.000 1.034 17 V CA -0.419 61.901 62.300 0.034 0.000 0.893 17 V CB 1.519 33.362 31.823 0.032 0.000 0.982 17 V HN 0.494 nan 8.190 nan 0.000 0.452 18 S N 5.341 121.068 115.700 0.045 0.000 2.670 18 S HA 0.019 4.489 4.470 -0.000 0.000 0.308 18 S C 0.245 174.890 174.600 0.075 0.000 1.232 18 S CA 0.142 58.380 58.200 0.063 0.000 1.126 18 S CB -0.437 62.801 63.200 0.062 0.000 0.897 18 S HN 0.753 nan 8.310 nan 0.000 0.508 19 K N 2.338 122.789 120.400 0.085 0.000 2.143 19 K HA 0.533 4.853 4.320 -0.000 0.000 0.272 19 K C 0.158 176.841 176.600 0.139 0.000 1.001 19 K CA -0.849 55.492 56.287 0.091 0.000 0.915 19 K CB 1.051 33.593 32.500 0.071 0.000 1.047 19 K HN 0.276 nan 8.250 nan 0.000 0.458 20 V N 3.113 123.118 119.914 0.153 0.000 3.484 20 V HA 0.065 4.185 4.120 -0.000 0.000 0.304 20 V C -0.496 175.712 176.094 0.190 0.000 1.116 20 V CA -0.179 62.264 62.300 0.237 0.000 1.187 20 V CB 0.847 32.790 31.823 0.200 0.000 1.062 20 V HN 0.725 nan 8.190 nan 0.000 0.489 21 L N 4.127 125.476 121.223 0.210 0.000 2.381 21 L HA 0.595 4.935 4.340 -0.000 0.000 0.268 21 L C -0.455 176.449 176.870 0.056 0.000 0.997 21 L CA -0.290 54.582 54.840 0.053 0.000 0.818 21 L CB 1.353 43.340 42.059 -0.120 0.000 1.310 21 L HN 0.896 nan 8.230 nan 0.000 0.416 22 C N 1.663 120.945 119.300 -0.030 0.000 2.585 22 C HA 0.302 4.762 4.460 -0.000 0.000 0.406 22 C C 2.050 176.888 174.990 -0.254 0.000 1.312 22 C CA -0.052 58.927 59.018 -0.065 0.000 1.924 22 C CB -0.263 27.445 27.740 -0.053 0.000 2.578 22 C HN 0.965 nan 8.230 nan 0.000 0.580 23 S N 1.104 116.668 115.700 -0.226 0.000 2.440 23 S HA -0.249 4.221 4.470 -0.000 0.000 0.238 23 S C 1.560 175.804 174.600 -0.593 0.000 1.010 23 S CA 1.666 59.585 58.200 -0.469 0.000 0.972 23 S CB -0.547 62.630 63.200 -0.039 0.000 0.774 23 S HN 0.901 nan 8.310 nan 0.000 0.501 24 E N 1.229 121.227 120.200 -0.337 0.000 2.118 24 E HA -0.157 4.193 4.350 -0.000 0.000 0.195 24 E C 1.670 178.110 176.600 -0.266 0.000 0.992 24 E CA 1.617 57.873 56.400 -0.240 0.000 0.804 24 E CB -0.427 29.187 29.700 -0.143 0.000 0.741 24 E HN 0.654 nan 8.360 nan 0.000 0.458 25 T N 0.151 114.499 114.554 -0.343 0.000 2.746 25 T HA -0.202 4.148 4.350 -0.000 0.000 0.267 25 T C 1.220 175.838 174.700 -0.136 0.000 1.039 25 T CA 1.736 63.702 62.100 -0.224 0.000 1.142 25 T CB -0.344 68.414 68.868 -0.184 0.000 0.866 25 T HN 0.475 nan 8.240 nan 0.000 0.444 26 Y N -0.109 120.187 120.300 -0.007 0.000 2.485 26 Y HA 0.649 5.199 4.550 -0.000 0.000 0.260 26 Y C 0.049 175.956 175.900 0.012 0.000 1.173 26 Y CA -1.310 56.790 58.100 -0.001 0.000 1.252 26 Y CB -0.671 37.795 38.460 0.010 0.000 1.123 26 Y HN -0.132 nan 8.280 nan 0.000 0.524 27 V N 2.910 122.865 119.914 0.067 0.000 2.384 27 V HA 0.295 4.415 4.120 -0.000 0.000 0.287 27 V C -0.481 175.603 176.094 -0.017 0.000 1.020 27 V CA -0.856 61.487 62.300 0.072 0.000 0.850 27 V CB 1.424 33.255 31.823 0.012 0.000 0.987 27 V HN 0.124 nan 8.190 nan 0.000 0.436 28 Q N 4.309 124.099 119.800 -0.017 0.000 2.243 28 Q HA 0.468 4.808 4.340 -0.000 0.000 0.252 28 Q C -0.272 175.699 176.000 -0.049 0.000 0.909 28 Q CA -0.178 55.605 55.803 -0.033 0.000 0.922 28 Q CB 1.616 30.335 28.738 -0.031 0.000 1.215 28 Q HN 0.558 nan 8.270 nan 0.000 0.427 29 R N 2.273 122.747 120.500 -0.043 0.000 2.255 29 R HA 0.342 4.682 4.340 -0.000 0.000 0.326 29 R C 0.177 176.458 176.300 -0.033 0.000 0.986 29 R CA -0.752 55.315 56.100 -0.054 0.000 0.847 29 R CB 1.220 31.488 30.300 -0.054 0.000 1.111 29 R HN 0.267 nan 8.270 nan 0.000 0.452 30 K N 0.887 121.263 120.400 -0.041 0.000 2.155 30 K HA 0.138 4.458 4.320 -0.000 0.000 0.237 30 K C 0.799 177.397 176.600 -0.003 0.000 1.040 30 K CA -0.191 56.092 56.287 -0.006 0.000 0.912 30 K CB 0.794 33.295 32.500 0.002 0.000 1.137 30 K HN 0.580 nan 8.250 nan 0.000 0.498 31 S N -0.138 115.602 115.700 0.067 0.000 2.506 31 S HA 0.273 4.743 4.470 -0.000 0.000 0.245 31 S C 0.164 174.932 174.600 0.281 0.000 1.088 31 S CA -0.603 57.708 58.200 0.185 0.000 1.099 31 S CB -0.597 62.728 63.200 0.208 0.000 0.805 31 S HN 0.282 nan 8.310 nan 0.000 0.461 32 I N 1.553 122.151 120.570 0.046 0.000 2.525 32 I HA 0.638 4.808 4.170 -0.000 0.000 0.301 32 I C -0.557 175.482 176.117 -0.130 0.000 0.992 32 I CA -0.867 60.524 61.300 0.153 0.000 1.162 32 I CB 0.810 38.938 38.000 0.213 0.000 1.332 32 I HN 0.123 nan 8.210 nan 0.000 0.458 33 F N 4.100 124.036 119.950 -0.023 0.000 2.577 33 F HA 0.666 5.193 4.527 -0.000 0.000 0.318 33 F C -0.679 174.945 175.800 -0.293 0.000 1.065 33 F CA -0.968 56.987 58.000 -0.074 0.000 0.929 33 F CB 1.407 40.258 39.000 -0.248 0.000 1.237 33 F HN 0.185 nan 8.300 nan 0.000 0.468 34 Y N -0.847 119.436 120.300 -0.028 0.000 2.581 34 Y HA 0.464 5.014 4.550 -0.000 0.000 0.345 34 Y C -0.949 174.858 175.900 -0.155 0.000 1.036 34 Y CA -1.173 56.862 58.100 -0.109 0.000 1.042 34 Y CB 2.071 40.360 38.460 -0.285 0.000 1.289 34 Y HN 0.623 nan 8.280 nan 0.000 0.471 35 H N 0.919 119.902 119.070 -0.144 0.000 2.800 35 H HA 0.766 5.322 4.556 -0.000 0.000 0.322 35 H C -1.429 173.676 175.328 -0.372 0.000 0.979 35 H CA -0.608 55.250 56.048 -0.316 0.000 1.277 35 H CB 0.828 30.233 29.762 -0.594 0.000 1.484 35 H HN 0.746 nan 8.280 nan 0.000 0.512 36 A N 5.052 127.489 122.820 -0.639 0.000 2.322 36 A HA 0.271 4.591 4.320 -0.000 0.000 0.327 36 A C -0.329 177.069 177.584 -0.309 0.000 1.394 36 A CA -0.677 51.146 52.037 -0.357 0.000 0.921 36 A CB 0.058 18.904 19.000 -0.256 0.000 1.153 36 A HN 0.834 nan 8.150 nan 0.000 0.523 37 E N 2.878 122.977 120.200 -0.168 0.000 2.113 37 E HA 0.399 4.749 4.350 -0.000 0.000 0.273 37 E C 0.086 176.710 176.600 0.041 0.000 0.924 37 E CA -0.441 55.974 56.400 0.025 0.000 0.764 37 E CB 0.862 30.751 29.700 0.315 0.000 1.104 37 E HN 0.619 nan 8.360 nan 0.000 0.406 38 T N 2.241 116.798 114.554 0.005 0.000 2.897 38 T HA 0.226 4.576 4.350 -0.000 0.000 0.294 38 T C 0.204 174.899 174.700 -0.008 0.000 1.004 38 T CA -0.945 61.138 62.100 -0.028 0.000 1.106 38 T CB 1.215 70.014 68.868 -0.115 0.000 0.949 38 T HN 0.353 nan 8.240 nan 0.000 0.520 39 E N 2.034 122.237 120.200 0.006 0.000 2.366 39 E HA 0.141 4.491 4.350 -0.000 0.000 0.266 39 E C 0.646 177.247 176.600 0.002 0.000 1.051 39 E CA -0.435 55.979 56.400 0.023 0.000 0.884 39 E CB 0.637 30.361 29.700 0.039 0.000 1.006 39 E HN 0.820 nan 8.360 nan 0.000 0.417 40 R N 1.905 122.412 120.500 0.011 0.000 2.500 40 R HA -0.006 4.334 4.340 -0.000 0.000 0.281 40 R C -0.433 175.892 176.300 0.041 0.000 0.953 40 R CA 0.363 56.468 56.100 0.009 0.000 1.108 40 R CB -0.289 30.019 30.300 0.013 0.000 0.901 40 R HN 0.302 nan 8.270 nan 0.000 0.410 41 L N 4.700 125.955 121.223 0.053 0.000 2.296 41 L HA 0.502 4.842 4.340 -0.000 0.000 0.286 41 L C -0.254 176.779 176.870 0.271 0.000 1.023 41 L CA -0.931 54.017 54.840 0.181 0.000 0.812 41 L CB 1.135 43.241 42.059 0.078 0.000 1.223 41 L HN 0.532 nan 8.230 nan 0.000 0.421 42 L N 2.477 123.874 121.223 0.289 0.000 2.341 42 L HA 0.876 5.216 4.340 -0.000 0.000 0.267 42 L C -0.355 176.667 176.870 0.252 0.000 1.009 42 L CA -0.570 54.408 54.840 0.229 0.000 0.819 42 L CB 2.431 44.559 42.059 0.115 0.000 1.323 42 L HN 0.672 nan 8.230 nan 0.000 0.425 43 T N -0.145 114.528 114.554 0.197 0.000 3.012 43 T HA 0.722 5.072 4.350 -0.000 0.000 0.330 43 T C -0.763 173.988 174.700 0.085 0.000 1.321 43 T CA -0.697 61.473 62.100 0.116 0.000 1.067 43 T CB 1.953 70.893 68.868 0.121 0.000 1.235 43 T HN 0.683 nan 8.240 nan 0.000 0.479 44 I N -1.248 119.349 120.570 0.045 0.000 3.095 44 I HA 0.986 5.156 4.170 -0.000 0.000 0.310 44 I C -0.165 175.972 176.117 0.034 0.000 1.196 44 I CA -1.032 60.291 61.300 0.039 0.000 0.985 44 I CB 1.915 39.929 38.000 0.023 0.000 1.250 44 I HN 1.248 nan 8.210 nan 0.000 0.446 45 G N 1.352 110.177 108.800 0.043 0.000 2.343 45 G HA2 0.176 4.136 3.960 -0.000 0.000 0.289 45 G HA3 0.176 4.136 3.960 -0.000 0.000 0.289 45 G C -2.149 172.777 174.900 0.043 0.000 1.295 45 G CA -0.924 44.199 45.100 0.037 0.000 0.869 45 G HN 1.123 nan 8.290 nan 0.000 0.522 46 H N 2.050 121.080 119.070 -0.067 0.000 2.723 46 H HA 0.495 5.051 4.556 -0.000 0.000 0.294 46 H C -0.984 174.265 175.328 -0.131 0.000 1.079 46 H CA -1.155 54.823 56.048 -0.117 0.000 1.411 46 H CB 1.874 31.526 29.762 -0.184 0.000 1.439 46 H HN 0.185 nan 8.280 nan 0.000 0.474 47 P HA -0.208 nan 4.420 nan 0.000 0.216 47 P C 0.780 177.877 177.300 -0.339 0.000 1.153 47 P CA 1.390 64.235 63.100 -0.425 0.000 0.848 47 P CB 0.164 31.481 31.700 -0.639 0.000 0.787 48 Y N 0.030 120.067 120.300 -0.439 0.000 2.145 48 Y HA -0.108 4.442 4.550 -0.000 0.000 0.286 48 Y C 1.321 177.373 175.900 0.255 0.000 1.145 48 Y CA 1.324 59.404 58.100 -0.033 0.000 1.148 48 Y CB -0.699 37.835 38.460 0.125 0.000 0.981 48 Y HN 0.082 nan 8.280 nan 0.000 0.507 49 Y N -4.262 116.318 120.300 0.468 0.000 2.624 49 Y HA 0.515 5.065 4.550 -0.000 0.000 0.334 49 Y C -3.303 172.732 175.900 0.224 0.000 1.155 49 Y CA -3.705 54.554 58.100 0.264 0.000 1.046 49 Y CB 0.460 39.036 38.460 0.194 0.000 1.316 49 Y HN -0.375 nan 8.280 nan 0.000 0.457 50 P HA 0.079 nan 4.420 nan 0.000 0.267 50 P C -0.410 176.971 177.300 0.135 0.000 1.209 50 P CA 0.247 63.431 63.100 0.139 0.000 0.763 50 P CB 1.710 33.482 31.700 0.119 0.000 0.816 51 V N 2.886 122.812 119.914 0.020 0.000 2.973 51 V HA 0.487 4.607 4.120 -0.000 0.000 0.314 51 V C 0.686 176.783 176.094 0.006 0.000 1.066 51 V CA -0.237 62.055 62.300 -0.014 0.000 1.021 51 V CB 1.654 33.398 31.823 -0.130 0.000 1.076 51 V HN 0.636 nan 8.190 nan 0.000 0.462 52 S N 2.195 117.897 115.700 0.004 0.000 2.737 52 S HA 0.561 5.031 4.470 -0.000 0.000 0.269 52 S C -0.903 173.693 174.600 -0.006 0.000 1.150 52 S CA -0.576 57.626 58.200 0.003 0.000 1.077 52 S CB 0.451 63.662 63.200 0.018 0.000 1.075 52 S HN 0.655 nan 8.310 nan 0.000 0.476 53 I N 2.444 123.004 120.570 -0.017 0.000 2.362 53 I HA 0.898 5.068 4.170 -0.000 0.000 0.289 53 I C 0.818 176.931 176.117 -0.007 0.000 0.994 53 I CA 0.030 61.321 61.300 -0.015 0.000 1.158 53 I CB 0.948 38.929 38.000 -0.031 0.000 1.315 53 I HN 0.803 nan 8.210 nan 0.000 0.451 54 G N 5.032 113.832 108.800 -0.001 0.000 2.561 54 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.289 54 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.289 54 G C 0.498 175.398 174.900 0.001 0.000 1.169 54 G CA 0.548 45.648 45.100 0.001 0.000 0.980 54 G HN 1.629 nan 8.290 nan 0.000 0.550 55 A N -0.040 122.780 122.820 -0.000 0.000 2.564 55 A HA 0.647 4.967 4.320 -0.000 0.000 0.279 55 A C 0.703 178.286 177.584 -0.002 0.000 1.232 55 A CA 1.034 53.071 52.037 -0.000 0.000 0.950 55 A CB 0.215 19.215 19.000 -0.000 0.000 1.138 55 A HN 0.577 nan 8.150 nan 0.000 0.526 56 K N -0.303 120.095 120.400 -0.004 0.000 2.313 56 K HA 0.648 4.968 4.320 -0.000 0.000 0.235 56 K C 0.073 176.669 176.600 -0.007 0.000 1.035 56 K CA -0.348 55.935 56.287 -0.007 0.000 0.868 56 K CB 1.544 34.039 32.500 -0.009 0.000 1.232 56 K HN 0.255 nan 8.250 nan 0.000 0.459 57 T N -3.150 111.398 114.554 -0.009 0.000 2.841 57 T HA 0.650 5.000 4.350 -0.000 0.000 0.276 57 T C -0.680 174.012 174.700 -0.014 0.000 1.003 57 T CA -0.766 61.330 62.100 -0.007 0.000 0.995 57 T CB 1.121 69.989 68.868 -0.001 0.000 1.260 57 T HN 0.173 nan 8.240 nan 0.000 0.581 58 V N 2.310 122.218 119.914 -0.010 0.000 2.568 58 V HA 0.378 4.498 4.120 -0.000 0.000 0.276 58 V C -2.586 173.509 176.094 0.002 0.000 1.002 58 V CA -1.607 60.685 62.300 -0.013 0.000 0.879 58 V CB 1.184 32.992 31.823 -0.026 0.000 1.040 58 V HN 0.903 nan 8.190 nan 0.000 0.457 59 P HA -0.020 nan 4.420 nan 0.000 0.261 59 P C -0.353 176.958 177.300 0.019 0.000 1.173 59 P CA -0.042 63.059 63.100 0.002 0.000 0.760 59 P CB 0.559 32.243 31.700 -0.026 0.000 0.783 60 K N 2.851 123.272 120.400 0.036 0.000 2.167 60 K HA 0.269 4.589 4.320 -0.000 0.000 0.275 60 K C -0.736 175.866 176.600 0.003 0.000 1.103 60 K CA -0.368 55.943 56.287 0.040 0.000 0.963 60 K CB -0.347 32.208 32.500 0.092 0.000 1.243 60 K HN 0.082 nan 8.250 nan 0.000 0.407 61 V N 3.617 123.526 119.914 -0.009 0.000 2.320 61 V HA 0.165 4.285 4.120 -0.000 0.000 0.265 61 V C 0.123 176.182 176.094 -0.058 0.000 1.048 61 V CA -0.401 61.903 62.300 0.007 0.000 0.865 61 V CB 0.440 32.300 31.823 0.061 0.000 1.043 61 V HN 0.888 nan 8.190 nan 0.000 0.474 62 S N 4.089 119.725 115.700 -0.106 0.000 2.745 62 S HA 0.725 5.195 4.470 -0.000 0.000 0.292 62 S C 1.100 175.564 174.600 -0.226 0.000 1.133 62 S CA 0.133 58.177 58.200 -0.261 0.000 0.998 62 S CB 1.920 64.971 63.200 -0.248 0.000 1.087 62 S HN 0.804 nan 8.310 nan 0.000 0.551 63 A N 1.296 123.898 122.820 -0.365 0.000 2.308 63 A HA 0.348 4.668 4.320 -0.000 0.000 0.217 63 A C 0.497 177.987 177.584 -0.157 0.000 1.216 63 A CA -0.192 51.713 52.037 -0.220 0.000 0.864 63 A CB -0.404 18.419 19.000 -0.295 0.000 0.902 63 A HN 0.796 nan 8.150 nan 0.000 0.499 64 N N 1.367 119.959 118.700 -0.181 0.000 2.818 64 N HA 0.210 4.950 4.740 -0.000 0.000 0.301 64 N C -1.318 174.086 175.510 -0.176 0.000 1.821 64 N CA 0.001 52.944 53.050 -0.179 0.000 0.930 64 N CB 0.658 39.050 38.487 -0.159 0.000 1.263 64 N HN 0.485 nan 8.380 nan 0.000 0.487 65 Q N 0.752 120.446 119.800 -0.177 0.000 2.284 65 Q HA 0.237 4.577 4.340 -0.000 0.000 0.269 65 Q C -1.272 174.643 176.000 -0.141 0.000 1.026 65 Q CA -0.693 55.046 55.803 -0.106 0.000 0.831 65 Q CB 1.774 30.507 28.738 -0.007 0.000 1.322 65 Q HN 0.311 nan 8.270 nan 0.000 0.419 66 Y N 1.730 121.995 120.300 -0.058 0.000 2.730 66 Y HA 0.048 4.598 4.550 -0.000 0.000 0.354 66 Y C 0.501 176.298 175.900 -0.171 0.000 1.139 66 Y CA -0.392 57.643 58.100 -0.108 0.000 1.516 66 Y CB 0.200 38.583 38.460 -0.128 0.000 1.204 66 Y HN 0.164 nan 8.280 nan 0.000 0.520 67 R N 2.847 123.247 120.500 -0.166 0.000 2.404 67 R HA 0.134 4.474 4.340 -0.000 0.000 0.315 67 R C -0.834 175.067 176.300 -0.665 0.000 1.032 67 R CA -0.272 55.581 56.100 -0.413 0.000 0.992 67 R CB 0.183 30.014 30.300 -0.782 0.000 0.959 67 R HN 0.361 nan 8.270 nan 0.000 0.428 68 V N 6.545 126.189 119.914 -0.450 0.000 2.313 68 V HA 0.324 4.444 4.120 -0.000 0.000 0.278 68 V C -0.061 175.811 176.094 -0.369 0.000 1.017 68 V CA -0.551 61.480 62.300 -0.447 0.000 0.823 68 V CB 0.492 32.145 31.823 -0.285 0.000 1.010 68 V HN 0.494 nan 8.190 nan 0.000 0.443 69 F N 3.573 123.427 119.950 -0.160 0.000 2.384 69 F HA 0.470 4.997 4.527 -0.000 0.000 0.338 69 F C 0.573 176.179 175.800 -0.324 0.000 1.103 69 F CA -0.534 57.356 58.000 -0.183 0.000 1.157 69 F CB 1.107 39.947 39.000 -0.266 0.000 1.167 69 F HN 0.265 nan 8.300 nan 0.000 0.529 70 K N 3.838 124.214 120.400 -0.040 0.000 2.389 70 K HA 0.451 4.771 4.320 -0.000 0.000 0.261 70 K C -1.380 175.095 176.600 -0.209 0.000 1.014 70 K CA -0.715 55.353 56.287 -0.366 0.000 0.920 70 K CB 0.547 32.968 32.500 -0.132 0.000 1.149 70 K HN 0.483 nan 8.250 nan 0.000 0.444 71 I N 4.208 124.610 120.570 -0.280 0.000 2.281 71 I HA 0.113 4.283 4.170 -0.000 0.000 0.293 71 I C 0.268 176.242 176.117 -0.237 0.000 1.085 71 I CA 0.007 61.150 61.300 -0.261 0.000 1.257 71 I CB 1.066 38.821 38.000 -0.407 0.000 1.430 71 I HN 0.547 nan 8.210 nan 0.000 0.489 72 Q N 6.031 125.738 119.800 -0.155 0.000 2.279 72 Q HA 0.501 4.841 4.340 -0.000 0.000 0.256 72 Q C -0.846 175.105 176.000 -0.081 0.000 0.937 72 Q CA -0.440 55.305 55.803 -0.097 0.000 0.933 72 Q CB 0.941 29.651 28.738 -0.047 0.000 1.189 72 Q HN 0.593 nan 8.270 nan 0.000 0.417 73 L N 4.986 126.188 121.223 -0.036 0.000 2.431 73 L HA 0.540 4.880 4.340 -0.000 0.000 0.260 73 L C -2.083 174.861 176.870 0.124 0.000 1.098 73 L CA -2.393 52.459 54.840 0.019 0.000 0.800 73 L CB 0.892 43.017 42.059 0.111 0.000 1.210 73 L HN 0.612 nan 8.230 nan 0.000 0.465 74 P HA 0.097 nan 4.420 nan 0.000 0.293 74 P C -1.179 176.338 177.300 0.361 0.000 1.300 74 P CA -0.512 62.764 63.100 0.294 0.000 0.792 74 P CB 0.652 32.582 31.700 0.384 0.000 0.925 75 D N 5.868 126.401 120.400 0.220 0.000 2.434 75 D HA -0.031 4.609 4.640 -0.000 0.000 0.252 75 D C -1.220 175.134 176.300 0.091 0.000 1.185 75 D CA -1.254 52.817 54.000 0.118 0.000 0.886 75 D CB 0.920 41.770 40.800 0.083 0.000 1.148 75 D HN 0.194 nan 8.370 nan 0.000 0.483 76 P HA -0.113 nan 4.420 nan 0.000 0.217 76 P C 0.942 178.116 177.300 -0.211 0.000 1.151 76 P CA 0.939 63.653 63.100 -0.644 0.000 0.828 76 P CB 0.156 31.122 31.700 -1.222 0.000 0.788 77 N N -0.762 117.936 118.700 -0.004 0.000 2.571 77 N HA -0.083 4.657 4.740 -0.000 0.000 0.189 77 N C 1.346 176.955 175.510 0.164 0.000 1.154 77 N CA 0.037 53.174 53.050 0.145 0.000 0.907 77 N CB -0.031 38.643 38.487 0.312 0.000 0.977 77 N HN 0.177 nan 8.380 nan 0.000 0.449 78 Q N -0.035 119.873 119.800 0.180 0.000 2.182 78 Q HA 0.151 4.491 4.340 -0.000 0.000 0.305 78 Q C -0.883 175.257 176.000 0.234 0.000 0.880 78 Q CA -0.381 55.526 55.803 0.174 0.000 1.131 78 Q CB 0.285 29.103 28.738 0.133 0.000 1.237 78 Q HN 0.104 nan 8.270 nan 0.000 0.447 79 F N 0.166 120.116 119.950 0.001 0.000 2.266 79 F HA 0.641 5.168 4.527 -0.000 0.000 0.306 79 F C 0.412 176.220 175.800 0.014 0.000 1.016 79 F CA -0.742 57.265 58.000 0.011 0.000 1.127 79 F CB 0.583 39.583 39.000 -0.001 0.000 1.735 79 F HN 0.053 nan 8.300 nan 0.000 0.540 80 A N 0.983 123.929 122.820 0.209 0.000 2.304 80 A HA 0.706 5.026 4.320 -0.000 0.000 0.323 80 A C -1.494 176.182 177.584 0.153 0.000 1.195 80 A CA -0.482 51.620 52.037 0.109 0.000 0.826 80 A CB 0.165 19.188 19.000 0.038 0.000 1.184 80 A HN 0.576 nan 8.150 nan 0.000 0.496 81 L N 3.715 124.984 121.223 0.077 0.000 2.401 81 L HA 0.354 4.694 4.340 -0.000 0.000 0.263 81 L C -2.020 174.870 176.870 0.033 0.000 1.004 81 L CA -1.451 53.418 54.840 0.048 0.000 0.881 81 L CB 1.803 43.852 42.059 -0.017 0.000 1.219 81 L HN 0.510 nan 8.230 nan 0.000 0.441 82 P HA -0.016 nan 4.420 nan 0.000 0.233 82 P C -0.556 176.759 177.300 0.025 0.000 1.167 82 P CA 0.748 63.870 63.100 0.037 0.000 0.770 82 P CB 0.113 31.843 31.700 0.049 0.000 0.837 83 D N -2.579 117.834 120.400 0.021 0.000 2.497 83 D HA 0.267 4.907 4.640 -0.000 0.000 0.243 83 D C 0.903 177.202 176.300 -0.002 0.000 1.039 83 D CA -0.852 53.156 54.000 0.013 0.000 1.052 83 D CB 0.911 41.724 40.800 0.021 0.000 1.344 83 D HN -0.351 nan 8.370 nan 0.000 0.553 84 R N -0.529 119.970 120.500 -0.001 0.000 2.210 84 R HA 0.088 4.428 4.340 -0.000 0.000 0.203 84 R C 1.489 177.784 176.300 -0.008 0.000 1.010 84 R CA 0.532 56.627 56.100 -0.009 0.000 1.008 84 R CB -0.669 29.629 30.300 -0.003 0.000 0.923 84 R HN 0.550 nan 8.270 nan 0.000 0.469 85 T N 1.142 115.697 114.554 0.003 0.000 2.833 85 T HA -0.027 4.323 4.350 -0.000 0.000 0.269 85 T C 1.104 175.811 174.700 0.012 0.000 1.054 85 T CA 0.528 62.635 62.100 0.012 0.000 1.135 85 T CB -0.045 68.837 68.868 0.023 0.000 0.869 85 T HN -0.097 nan 8.240 nan 0.000 0.466 86 V N 3.843 123.753 119.914 -0.007 0.000 2.901 86 V HA -0.014 4.106 4.120 -0.000 0.000 0.307 86 V C 0.964 177.006 176.094 -0.086 0.000 1.084 86 V CA -0.692 61.587 62.300 -0.035 0.000 1.184 86 V CB 0.032 31.806 31.823 -0.082 0.000 0.941 86 V HN 0.643 nan 8.190 nan 0.000 0.493 87 H N 3.714 122.772 119.070 -0.020 0.000 3.038 87 H HA -0.010 4.546 4.556 -0.000 0.000 0.338 87 H C 0.306 175.618 175.328 -0.027 0.000 1.041 87 H CA -0.018 56.011 56.048 -0.031 0.000 1.394 87 H CB 0.017 29.746 29.762 -0.056 0.000 1.357 87 H HN 0.781 nan 8.280 nan 0.000 0.600 88 N N 3.393 122.124 118.700 0.051 0.000 2.395 88 N HA -0.048 4.692 4.740 -0.000 0.000 0.246 88 N C -1.448 174.085 175.510 0.037 0.000 1.246 88 N CA -1.322 51.733 53.050 0.008 0.000 0.879 88 N CB 0.779 39.278 38.487 0.020 0.000 1.098 88 N HN 0.424 nan 8.380 nan 0.000 0.444 89 P HA -0.068 nan 4.420 nan 0.000 0.216 89 P C 0.313 177.638 177.300 0.042 0.000 1.150 89 P CA 1.305 64.412 63.100 0.012 0.000 0.837 89 P CB 0.304 32.001 31.700 -0.006 0.000 0.786 90 S N -1.675 114.040 115.700 0.024 0.000 2.511 90 S HA 0.135 4.605 4.470 -0.000 0.000 0.214 90 S C 1.486 176.081 174.600 -0.010 0.000 0.997 90 S CA 0.117 58.322 58.200 0.008 0.000 0.908 90 S CB -0.062 63.139 63.200 0.001 0.000 0.803 90 S HN 0.202 nan 8.310 nan 0.000 0.504 91 K N 1.145 121.546 120.400 0.002 0.000 2.076 91 K HA 0.122 4.441 4.320 -0.000 0.000 0.204 91 K C 0.432 176.993 176.600 -0.064 0.000 1.051 91 K CA 0.887 57.162 56.287 -0.021 0.000 0.949 91 K CB 0.181 32.678 32.500 -0.004 0.000 0.726 91 K HN 0.376 nan 8.250 nan 0.000 0.443 92 E N -0.260 119.908 120.200 -0.054 0.000 2.416 92 E HA 0.369 4.719 4.350 -0.000 0.000 0.273 92 E C -0.859 175.496 176.600 -0.408 0.000 0.935 92 E CA -0.969 55.301 56.400 -0.217 0.000 0.784 92 E CB 1.937 31.508 29.700 -0.215 0.000 1.301 92 E HN -0.117 nan 8.360 nan 0.000 0.454 93 R N 0.821 120.900 120.500 -0.702 0.000 2.744 93 R HA 0.564 4.904 4.340 -0.000 0.000 0.279 93 R C -0.951 174.893 176.300 -0.761 0.000 0.977 93 R CA -0.763 54.873 56.100 -0.774 0.000 0.906 93 R CB 1.242 30.847 30.300 -1.159 0.000 1.197 93 R HN 0.459 nan 8.270 nan 0.000 0.463 94 L N 1.439 122.377 121.223 -0.475 0.000 2.334 94 L HA 0.750 5.090 4.340 -0.000 0.000 0.272 94 L C 0.445 177.223 176.870 -0.154 0.000 1.020 94 L CA -0.970 53.676 54.840 -0.324 0.000 0.812 94 L CB 1.809 43.727 42.059 -0.236 0.000 1.264 94 L HN 0.474 nan 8.230 nan 0.000 0.439 95 V N -2.623 117.139 119.914 -0.253 0.000 3.065 95 V HA 0.561 4.681 4.120 -0.000 0.000 0.312 95 V C -1.740 174.088 176.094 -0.443 0.000 1.412 95 V CA -1.059 61.108 62.300 -0.222 0.000 1.039 95 V CB 1.680 33.562 31.823 0.097 0.000 1.077 95 V HN 0.767 nan 8.190 nan 0.000 0.473 96 W N -0.467 120.778 121.300 -0.092 0.000 2.706 96 W HA 0.871 5.531 4.660 -0.000 0.000 0.346 96 W C -0.290 176.120 176.519 -0.182 0.000 1.071 96 W CA -0.429 56.822 57.345 -0.157 0.000 1.206 96 W CB 2.352 31.723 29.460 -0.149 0.000 1.413 96 W HN 0.965 nan 8.180 nan 0.000 0.542 97 A N 1.954 124.867 122.820 0.155 0.000 2.402 97 A HA 0.610 4.930 4.320 -0.000 0.000 0.291 97 A C -0.841 176.718 177.584 -0.042 0.000 1.051 97 A CA -0.732 51.277 52.037 -0.047 0.000 0.716 97 A CB 0.416 19.347 19.000 -0.116 0.000 1.223 97 A HN 0.579 nan 8.150 nan 0.000 0.425 98 V N 1.456 121.343 119.914 -0.046 0.000 2.686 98 V HA 0.485 4.605 4.120 -0.000 0.000 0.295 98 V C 0.697 176.795 176.094 0.006 0.000 1.055 98 V CA 0.035 62.361 62.300 0.043 0.000 1.050 98 V CB 0.450 32.396 31.823 0.205 0.000 0.984 98 V HN 0.797 nan 8.190 nan 0.000 0.482 99 I N 2.076 122.693 120.570 0.080 0.000 4.033 99 I HA 0.471 4.641 4.170 -0.000 0.000 0.296 99 I C 1.194 177.435 176.117 0.206 0.000 1.210 99 I CA 0.768 62.125 61.300 0.095 0.000 1.341 99 I CB 0.619 38.746 38.000 0.212 0.000 1.369 99 I HN 0.817 nan 8.210 nan 0.000 0.453 100 G N 1.035 109.986 108.800 0.252 0.000 2.638 100 G HA2 0.657 4.617 3.960 -0.000 0.000 0.302 100 G HA3 0.657 4.617 3.960 -0.000 0.000 0.302 100 G C -1.532 173.320 174.900 -0.081 0.000 1.365 100 G CA -0.287 44.877 45.100 0.107 0.000 0.987 100 G HN -0.181 nan 8.290 nan 0.000 0.495 101 V N 1.176 120.948 119.914 -0.236 0.000 2.760 101 V HA 0.630 4.750 4.120 -0.000 0.000 0.309 101 V C -0.574 175.334 176.094 -0.311 0.000 1.077 101 V CA -0.778 61.330 62.300 -0.321 0.000 0.910 101 V CB 2.000 33.779 31.823 -0.072 0.000 1.008 101 V HN 0.768 nan 8.190 nan 0.000 0.424 102 Q N 2.945 122.527 119.800 -0.363 0.000 2.444 102 Q HA 0.437 4.777 4.340 -0.000 0.000 0.251 102 Q C -1.868 174.042 176.000 -0.149 0.000 0.939 102 Q CA -0.269 55.387 55.803 -0.245 0.000 0.740 102 Q CB 2.228 30.812 28.738 -0.257 0.000 1.308 102 Q HN 0.644 nan 8.270 nan 0.000 0.461 103 V N 2.448 122.372 119.914 0.016 0.000 2.432 103 V HA 0.248 4.368 4.120 -0.000 0.000 0.271 103 V C 0.237 176.430 176.094 0.167 0.000 1.046 103 V CA 0.014 62.392 62.300 0.129 0.000 0.945 103 V CB 1.334 33.368 31.823 0.352 0.000 0.992 103 V HN 0.618 nan 8.190 nan 0.000 0.471 104 S N 5.806 121.543 115.700 0.062 0.000 2.437 104 S HA 0.535 5.005 4.470 -0.000 0.000 0.305 104 S C -0.225 174.346 174.600 -0.049 0.000 1.109 104 S CA -0.848 57.366 58.200 0.023 0.000 1.099 104 S CB 0.468 63.664 63.200 -0.005 0.000 1.004 104 S HN 0.691 nan 8.310 nan 0.000 0.475 105 R N 3.151 123.574 120.500 -0.128 0.000 2.275 105 R HA 0.352 4.692 4.340 -0.000 0.000 0.326 105 R C 0.106 176.286 176.300 -0.202 0.000 0.973 105 R CA -0.441 55.490 56.100 -0.281 0.000 0.854 105 R CB 1.369 31.395 30.300 -0.457 0.000 1.156 105 R HN 0.676 nan 8.270 nan 0.000 0.487 106 G N 2.922 111.603 108.800 -0.199 0.000 2.607 106 G HA2 0.327 4.287 3.960 -0.000 0.000 0.332 106 G HA3 0.327 4.287 3.960 -0.000 0.000 0.332 106 G C -0.349 174.466 174.900 -0.141 0.000 1.046 106 G CA -0.076 44.944 45.100 -0.133 0.000 1.099 106 G HN 0.305 nan 8.290 nan 0.000 0.451 107 Q N 0.698 120.425 119.800 -0.122 0.000 2.776 107 Q HA 0.275 4.615 4.340 -0.000 0.000 0.289 107 Q C -2.868 173.087 176.000 -0.075 0.000 0.912 107 Q CA -1.118 54.619 55.803 -0.110 0.000 0.789 107 Q CB 2.016 30.666 28.738 -0.147 0.000 1.498 107 Q HN 0.330 nan 8.270 nan 0.000 0.408 108 P HA 0.246 nan 4.420 nan 0.000 0.276 108 P C -0.362 176.923 177.300 -0.024 0.000 1.235 108 P CA -0.637 62.443 63.100 -0.033 0.000 0.772 108 P CB 0.350 32.035 31.700 -0.025 0.000 0.871 109 L N 2.762 123.979 121.223 -0.010 0.000 2.482 109 L HA 0.531 4.871 4.340 -0.000 0.000 0.273 109 L C 0.712 177.591 176.870 0.014 0.000 1.228 109 L CA 1.438 56.281 54.840 0.004 0.000 0.827 109 L CB -0.325 41.742 42.059 0.014 0.000 1.099 109 L HN 0.731 nan 8.230 nan 0.000 0.494 110 G N 1.287 110.102 108.800 0.025 0.000 2.313 110 G HA2 0.469 4.429 3.960 -0.000 0.000 0.296 110 G HA3 0.469 4.429 3.960 -0.000 0.000 0.296 110 G C -1.088 173.838 174.900 0.043 0.000 1.356 110 G CA -0.413 44.708 45.100 0.035 0.000 0.833 110 G HN 0.916 nan 8.290 nan 0.000 0.552 111 G N -0.859 107.969 108.800 0.047 0.000 2.410 111 G HA2 0.590 4.550 3.960 -0.000 0.000 0.330 111 G HA3 0.590 4.550 3.960 -0.000 0.000 0.330 111 G C -0.324 174.602 174.900 0.044 0.000 1.142 111 G CA -0.123 45.005 45.100 0.047 0.000 0.902 111 G HN 0.651 nan 8.290 nan 0.000 0.491 112 T N 0.676 115.246 114.554 0.027 0.000 2.799 112 T HA 0.505 4.855 4.350 -0.000 0.000 0.286 112 T C 0.027 174.728 174.700 0.002 0.000 0.973 112 T CA -0.163 61.936 62.100 -0.002 0.000 1.035 112 T CB 1.473 70.311 68.868 -0.050 0.000 0.932 112 T HN 0.285 nan 8.240 nan 0.000 0.469 113 V N 2.306 122.224 119.914 0.006 0.000 2.960 113 V HA 0.877 4.997 4.120 -0.000 0.000 0.315 113 V C 0.156 176.261 176.094 0.017 0.000 1.087 113 V CA -0.705 61.617 62.300 0.037 0.000 0.982 113 V CB 2.282 34.156 31.823 0.084 0.000 1.039 113 V HN 0.947 nan 8.190 nan 0.000 0.437 114 T N 1.027 115.621 114.554 0.067 0.000 2.932 114 T HA 0.773 5.123 4.350 -0.000 0.000 0.318 114 T C -0.318 174.505 174.700 0.205 0.000 1.265 114 T CA 0.377 62.545 62.100 0.114 0.000 1.036 114 T CB 1.695 70.574 68.868 0.020 0.000 1.209 114 T HN 1.190 nan 8.240 nan 0.000 0.484 115 G N 1.738 110.737 108.800 0.333 0.000 2.976 115 G HA2 0.665 4.625 3.960 -0.000 0.000 0.276 115 G HA3 0.665 4.625 3.960 -0.000 0.000 0.276 115 G C -1.536 173.574 174.900 0.349 0.000 1.207 115 G CA -0.361 44.895 45.100 0.259 0.000 0.803 115 G HN 0.948 nan 8.290 nan 0.000 0.572 116 H N -0.190 118.975 119.070 0.159 0.000 3.121 116 H HA 0.239 4.795 4.556 -0.000 0.000 0.337 116 H C -2.121 173.285 175.328 0.130 0.000 1.198 116 H CA -0.700 55.455 56.048 0.177 0.000 1.274 116 H CB 2.745 32.680 29.762 0.288 0.000 1.954 116 H HN 0.290 nan 8.280 nan 0.000 0.531 117 P HA -0.116 nan 4.420 nan 0.000 0.213 117 P C 0.484 177.880 177.300 0.159 0.000 1.170 117 P CA 1.620 64.669 63.100 -0.086 0.000 0.902 117 P CB 0.111 31.680 31.700 -0.218 0.000 0.789 118 T N -3.515 111.275 114.554 0.394 0.000 3.064 118 T HA 0.471 4.821 4.350 -0.000 0.000 0.367 118 T C -0.637 174.285 174.700 0.370 0.000 1.202 118 T CA -0.893 61.422 62.100 0.360 0.000 1.133 118 T CB -0.455 68.529 68.868 0.193 0.000 1.074 118 T HN -0.190 nan 8.240 nan 0.000 0.519 119 F N 3.018 123.036 119.950 0.115 0.000 2.368 119 F HA 0.599 5.126 4.527 -0.000 0.000 0.315 119 F C 0.536 176.297 175.800 -0.066 0.000 1.145 119 F CA -1.020 56.940 58.000 -0.068 0.000 1.095 119 F CB 1.215 40.209 39.000 -0.009 0.000 1.286 119 F HN 0.608 nan 8.300 nan 0.000 0.530 120 N N 2.309 120.565 118.700 -0.739 0.000 2.817 120 N HA 0.496 5.236 4.740 -0.000 0.000 0.234 120 N C -1.881 173.513 175.510 -0.193 0.000 1.066 120 N CA -0.171 52.631 53.050 -0.413 0.000 0.926 120 N CB 0.462 38.672 38.487 -0.463 0.000 1.176 120 N HN 0.684 nan 8.380 nan 0.000 0.506 121 A N 3.756 126.581 122.820 0.007 0.000 2.522 121 A HA 0.373 4.693 4.320 -0.000 0.000 0.285 121 A C 0.694 178.262 177.584 -0.026 0.000 1.198 121 A CA -0.594 51.488 52.037 0.075 0.000 0.742 121 A CB 0.329 19.328 19.000 -0.000 0.000 1.176 121 A HN 0.580 nan 8.150 nan 0.000 0.444 122 L N 1.580 122.802 121.223 -0.002 0.000 2.056 122 L HA 0.111 4.451 4.340 -0.000 0.000 0.207 122 L C 0.276 177.132 176.870 -0.023 0.000 1.078 122 L CA 1.343 56.171 54.840 -0.020 0.000 0.749 122 L CB -0.310 41.741 42.059 -0.013 0.000 0.901 122 L HN 0.611 nan 8.230 nan 0.000 0.433 123 L N -1.885 119.339 121.223 0.002 0.000 2.838 123 L HA 0.312 4.652 4.340 -0.000 0.000 0.266 123 L C -1.843 175.074 176.870 0.078 0.000 1.040 123 L CA -0.988 53.861 54.840 0.016 0.000 0.906 123 L CB 2.062 44.139 42.059 0.030 0.000 1.501 123 L HN -0.019 nan 8.230 nan 0.000 0.407 124 D N 0.008 120.464 120.400 0.092 0.000 2.758 124 D HA 0.508 5.147 4.640 -0.000 0.000 0.279 124 D C -0.411 175.957 176.300 0.113 0.000 1.111 124 D CA -0.637 53.467 54.000 0.174 0.000 1.109 124 D CB 1.578 42.515 40.800 0.228 0.000 1.428 124 D HN 0.552 nan 8.370 nan 0.000 0.586 125 A N -0.260 122.624 122.820 0.108 0.000 3.063 125 A HA 0.389 4.709 4.320 -0.000 0.000 0.263 125 A C -0.071 177.546 177.584 0.055 0.000 1.736 125 A CA -0.090 51.978 52.037 0.053 0.000 1.408 125 A CB -1.076 17.939 19.000 0.025 0.000 1.108 125 A HN 0.407 nan 8.150 nan 0.000 0.621 126 E N 0.180 120.410 120.200 0.050 0.000 2.222 126 E HA 0.446 4.796 4.350 -0.000 0.000 0.267 126 E C 0.129 176.747 176.600 0.029 0.000 0.884 126 E CA -0.603 55.823 56.400 0.043 0.000 0.764 126 E CB 0.927 30.654 29.700 0.046 0.000 1.169 126 E HN 0.249 nan 8.360 nan 0.000 0.413 127 N N 2.451 121.166 118.700 0.025 0.000 2.405 127 N HA 0.028 4.768 4.740 -0.000 0.000 0.175 127 N C 0.603 176.125 175.510 0.019 0.000 1.051 127 N CA 0.567 53.628 53.050 0.019 0.000 0.899 127 N CB 0.521 39.018 38.487 0.016 0.000 1.000 127 N HN 0.287 nan 8.380 nan 0.000 0.451 128 V N 1.590 121.516 119.914 0.020 0.000 3.542 128 V HA 0.084 4.204 4.120 -0.000 0.000 0.296 128 V C 0.078 176.182 176.094 0.017 0.000 1.364 128 V CA -0.327 61.984 62.300 0.018 0.000 1.118 128 V CB -1.054 30.779 31.823 0.018 0.000 0.972 128 V HN 0.342 nan 8.190 nan 0.000 0.430 129 N N 1.882 120.593 118.700 0.018 0.000 2.530 129 N HA 0.055 4.795 4.740 -0.000 0.000 0.273 129 N C 0.217 175.735 175.510 0.013 0.000 1.173 129 N CA -0.346 52.713 53.050 0.015 0.000 0.967 129 N CB 0.716 39.213 38.487 0.016 0.000 1.109 129 N HN 0.345 nan 8.380 nan 0.000 0.453 130 R N 0.902 121.408 120.500 0.009 0.000 2.873 130 R HA -0.050 4.290 4.340 -0.000 0.000 0.267 130 R C -0.097 176.208 176.300 0.009 0.000 1.009 130 R CA 0.114 56.219 56.100 0.008 0.000 1.152 130 R CB 0.460 30.764 30.300 0.005 0.000 1.047 130 R HN 0.577 nan 8.270 nan 0.000 0.470 131 K N 1.175 121.581 120.400 0.009 0.000 2.382 131 K HA 0.061 4.381 4.320 -0.000 0.000 0.275 131 K C -0.428 176.175 176.600 0.006 0.000 1.009 131 K CA -0.379 55.914 56.287 0.010 0.000 0.970 131 K CB 0.861 33.367 32.500 0.011 0.000 0.934 131 K HN 0.295 nan 8.250 nan 0.000 0.479 132 V N 3.787 123.705 119.914 0.007 0.000 2.452 132 V HA -0.075 4.045 4.120 -0.000 0.000 0.286 132 V C 0.420 176.513 176.094 -0.003 0.000 0.995 132 V CA 0.428 62.729 62.300 0.002 0.000 1.116 132 V CB -0.316 31.508 31.823 0.003 0.000 0.954 132 V HN 0.733 nan 8.190 nan 0.000 0.473 133 T N 4.569 119.120 114.554 -0.005 0.000 2.919 133 T HA 0.140 4.490 4.350 -0.000 0.000 0.302 133 T C 0.720 175.414 174.700 -0.012 0.000 1.031 133 T CA -0.313 61.783 62.100 -0.007 0.000 1.127 133 T CB 0.472 69.335 68.868 -0.008 0.000 0.952 133 T HN 0.787 nan 8.240 nan 0.000 0.540 134 T N 3.994 118.541 114.554 -0.012 0.000 2.939 134 T HA -0.012 4.338 4.350 -0.000 0.000 0.319 134 T C 0.712 175.401 174.700 -0.019 0.000 1.082 134 T CA -0.031 62.060 62.100 -0.016 0.000 1.133 134 T CB 0.123 68.983 68.868 -0.015 0.000 1.019 134 T HN 0.502 nan 8.240 nan 0.000 0.548 135 Q N 2.009 121.795 119.800 -0.023 0.000 2.274 135 Q HA 0.142 4.482 4.340 -0.000 0.000 0.280 135 Q C 0.707 176.693 176.000 -0.023 0.000 1.047 135 Q CA 0.071 55.859 55.803 -0.026 0.000 0.907 135 Q CB 0.171 28.889 28.738 -0.032 0.000 1.171 135 Q HN 0.574 nan 8.270 nan 0.000 0.381 136 T N 1.284 115.825 114.554 -0.022 0.000 2.771 136 T HA 0.021 4.371 4.350 -0.000 0.000 0.290 136 T C 1.507 176.194 174.700 -0.022 0.000 1.005 136 T CA -0.385 61.703 62.100 -0.019 0.000 0.944 136 T CB 0.568 69.426 68.868 -0.017 0.000 1.147 136 T HN 0.596 nan 8.240 nan 0.000 0.534 137 T N 1.038 115.581 114.554 -0.019 0.000 2.759 137 T HA -0.065 4.285 4.350 -0.000 0.000 0.269 137 T C 0.597 175.283 174.700 -0.023 0.000 1.042 137 T CA 1.292 63.380 62.100 -0.020 0.000 1.140 137 T CB -0.082 68.776 68.868 -0.017 0.000 0.864 137 T HN 0.496 nan 8.240 nan 0.000 0.455 138 D N -0.308 120.079 120.400 -0.021 0.000 2.732 138 D HA 0.243 4.883 4.640 -0.000 0.000 0.229 138 D C -0.899 175.387 176.300 -0.023 0.000 1.152 138 D CA -0.562 53.425 54.000 -0.022 0.000 0.854 138 D CB 1.755 42.545 40.800 -0.015 0.000 1.590 138 D HN 0.002 nan 8.370 nan 0.000 0.468 139 D N 1.274 121.657 120.400 -0.028 0.000 2.516 139 D HA 0.080 4.720 4.640 -0.000 0.000 0.241 139 D C 0.405 176.689 176.300 -0.026 0.000 1.246 139 D CA -0.235 53.748 54.000 -0.029 0.000 0.808 139 D CB 1.051 41.830 40.800 -0.035 0.000 1.147 139 D HN 0.140 nan 8.370 nan 0.000 0.527 140 R N 1.516 122.004 120.500 -0.019 0.000 2.811 140 R HA 0.317 4.657 4.340 -0.000 0.000 0.265 140 R C 0.522 176.834 176.300 0.020 0.000 1.026 140 R CA 0.571 56.674 56.100 0.004 0.000 1.142 140 R CB 0.670 30.982 30.300 0.021 0.000 1.027 140 R HN -0.033 nan 8.270 nan 0.000 0.465 141 K N 0.582 121.013 120.400 0.051 0.000 2.533 141 K HA 0.169 4.489 4.320 -0.000 0.000 0.284 141 K C -1.178 175.466 176.600 0.074 0.000 1.025 141 K CA -1.047 55.260 56.287 0.032 0.000 0.900 141 K CB 1.357 33.844 32.500 -0.022 0.000 1.519 141 K HN 0.395 nan 8.250 nan 0.000 0.432 142 Q N 1.213 121.041 119.800 0.046 0.000 2.286 142 Q HA 0.204 4.544 4.340 -0.000 0.000 0.257 142 Q C -1.041 174.979 176.000 0.034 0.000 0.941 142 Q CA 0.346 56.188 55.803 0.065 0.000 0.912 142 Q CB 1.044 29.807 28.738 0.042 0.000 1.192 142 Q HN 0.406 nan 8.270 nan 0.000 0.410 143 T N 2.350 116.939 114.554 0.059 0.000 2.812 143 T HA 0.508 4.858 4.350 -0.000 0.000 0.282 143 T C -0.264 174.444 174.700 0.012 0.000 0.990 143 T CA -0.618 61.458 62.100 -0.041 0.000 0.960 143 T CB 1.446 70.186 68.868 -0.213 0.000 0.948 143 T HN 0.692 nan 8.240 nan 0.000 0.438 144 G N 1.650 110.470 108.800 0.034 0.000 2.400 144 G HA2 0.639 4.599 3.960 -0.000 0.000 0.301 144 G HA3 0.639 4.599 3.960 -0.000 0.000 0.301 144 G C -1.321 173.667 174.900 0.147 0.000 1.154 144 G CA -0.422 44.739 45.100 0.101 0.000 0.852 144 G HN 0.607 nan 8.290 nan 0.000 0.511 145 L N 2.099 123.408 121.223 0.143 0.000 2.680 145 L HA 0.285 4.625 4.340 -0.000 0.000 0.260 145 L C -0.767 176.161 176.870 0.097 0.000 0.975 145 L CA -0.920 54.012 54.840 0.153 0.000 0.920 145 L CB 1.564 43.699 42.059 0.127 0.000 1.234 145 L HN 0.694 nan 8.230 nan 0.000 0.429 146 D N 3.785 124.236 120.400 0.085 0.000 2.389 146 D HA 0.368 5.008 4.640 -0.000 0.000 0.247 146 D C 0.378 176.689 176.300 0.017 0.000 1.128 146 D CA 0.051 54.082 54.000 0.052 0.000 0.884 146 D CB 1.716 42.549 40.800 0.055 0.000 1.194 146 D HN 0.710 nan 8.370 nan 0.000 0.441 147 A N 2.807 125.629 122.820 0.003 0.000 2.536 147 A HA 0.038 4.358 4.320 -0.000 0.000 0.234 147 A C 0.743 178.325 177.584 -0.004 0.000 1.076 147 A CA -0.234 51.791 52.037 -0.021 0.000 0.769 147 A CB 0.167 19.148 19.000 -0.032 0.000 1.020 147 A HN 0.641 nan 8.150 nan 0.000 0.508 148 K N 2.151 122.545 120.400 -0.010 0.000 2.229 148 K HA 0.102 4.422 4.320 -0.000 0.000 0.247 148 K C 0.052 176.680 176.600 0.047 0.000 1.117 148 K CA -0.093 56.207 56.287 0.022 0.000 1.036 148 K CB -0.098 32.411 32.500 0.016 0.000 1.654 148 K HN 0.830 nan 8.250 nan 0.000 0.405 149 Q N 2.878 122.714 119.800 0.060 0.000 2.304 149 Q HA -0.128 4.212 4.340 -0.000 0.000 0.315 149 Q C -0.919 175.129 176.000 0.079 0.000 1.075 149 Q CA 1.090 56.931 55.803 0.063 0.000 0.988 149 Q CB 0.537 29.317 28.738 0.071 0.000 1.146 149 Q HN 0.684 nan 8.270 nan 0.000 0.383 150 Q N 2.612 122.457 119.800 0.075 0.000 2.575 150 Q HA 0.333 4.673 4.340 -0.000 0.000 0.290 150 Q C -1.948 174.111 176.000 0.098 0.000 0.963 150 Q CA -0.643 55.216 55.803 0.094 0.000 0.783 150 Q CB 1.818 30.622 28.738 0.110 0.000 1.467 150 Q HN 0.725 nan 8.270 nan 0.000 0.402 151 Q N 1.719 121.590 119.800 0.119 0.000 2.284 151 Q HA 0.590 4.930 4.340 -0.000 0.000 0.269 151 Q C -1.291 174.792 176.000 0.137 0.000 1.026 151 Q CA -0.393 55.505 55.803 0.158 0.000 0.831 151 Q CB 2.560 31.412 28.738 0.190 0.000 1.322 151 Q HN 0.530 nan 8.270 nan 0.000 0.419 152 I N 2.905 123.570 120.570 0.158 0.000 2.499 152 I HA 0.469 4.639 4.170 -0.000 0.000 0.288 152 I C -1.491 174.709 176.117 0.138 0.000 1.048 152 I CA -0.980 60.402 61.300 0.138 0.000 1.062 152 I CB 1.880 39.965 38.000 0.142 0.000 1.238 152 I HN 0.389 nan 8.210 nan 0.000 0.426 153 L N 8.724 129.985 121.223 0.063 0.000 2.410 153 L HA 0.779 5.119 4.340 -0.000 0.000 0.270 153 L C -1.572 175.220 176.870 -0.129 0.000 0.983 153 L CA -0.545 54.301 54.840 0.010 0.000 0.822 153 L CB 1.839 43.893 42.059 -0.008 0.000 1.285 153 L HN 0.518 nan 8.230 nan 0.000 0.409 154 L N 3.478 124.604 121.223 -0.162 0.000 2.588 154 L HA 0.710 5.050 4.340 -0.000 0.000 0.263 154 L C -1.716 175.006 176.870 -0.247 0.000 0.935 154 L CA -0.713 53.950 54.840 -0.295 0.000 0.891 154 L CB 1.658 43.608 42.059 -0.182 0.000 1.318 154 L HN 0.555 nan 8.230 nan 0.000 0.409 155 L N 2.328 123.357 121.223 -0.324 0.000 2.322 155 L HA 1.098 5.438 4.340 -0.000 0.000 0.279 155 L C 0.303 176.893 176.870 -0.466 0.000 1.036 155 L CA 0.647 55.395 54.840 -0.152 0.000 0.807 155 L CB 1.601 43.803 42.059 0.239 0.000 1.226 155 L HN 0.991 nan 8.230 nan 0.000 0.433 156 G N 1.712 110.065 108.800 -0.744 0.000 2.561 156 G HA2 0.235 4.195 3.960 -0.000 0.000 0.310 156 G HA3 0.235 4.195 3.960 -0.000 0.000 0.310 156 G C -0.535 173.860 174.900 -0.841 0.000 1.292 156 G CA 0.188 44.474 45.100 -1.356 0.000 0.811 156 G HN 0.730 nan 8.290 nan 0.000 0.482 157 C N -0.776 118.272 119.300 -0.419 0.000 2.513 157 C HA 0.469 4.929 4.460 -0.000 0.000 0.292 157 C C 1.259 176.229 174.990 -0.033 0.000 1.359 157 C CA 1.638 60.680 59.018 0.041 0.000 1.778 157 C CB -0.513 27.394 27.740 0.279 0.000 2.180 157 C HN 0.731 nan 8.230 nan 0.000 0.509 158 T N 2.962 117.365 114.554 -0.250 0.000 2.925 158 T HA 0.392 4.742 4.350 -0.000 0.000 0.285 158 T C -2.719 171.440 174.700 -0.902 0.000 1.021 158 T CA -0.761 61.010 62.100 -0.549 0.000 1.042 158 T CB 1.392 70.128 68.868 -0.219 0.000 1.037 158 T HN 0.192 nan 8.240 nan 0.000 0.481 159 P HA 0.176 nan 4.420 nan 0.000 0.266 159 P C -0.566 176.467 177.300 -0.446 0.000 1.195 159 P CA -0.251 62.266 63.100 -0.972 0.000 0.768 159 P CB 0.280 31.508 31.700 -0.786 0.000 0.838 160 A N 3.667 126.271 122.820 -0.360 0.000 2.445 160 A HA 0.113 4.433 4.320 -0.000 0.000 0.242 160 A C 0.399 177.799 177.584 -0.307 0.000 1.075 160 A CA -0.096 51.752 52.037 -0.314 0.000 0.777 160 A CB -0.223 18.578 19.000 -0.332 0.000 1.013 160 A HN 0.570 nan 8.150 nan 0.000 0.493 161 E N 0.242 120.251 120.200 -0.319 0.000 2.204 161 E HA 0.527 4.877 4.350 -0.000 0.000 0.276 161 E C 0.282 176.625 176.600 -0.428 0.000 0.974 161 E CA -0.285 55.900 56.400 -0.359 0.000 0.815 161 E CB 1.838 31.348 29.700 -0.316 0.000 1.119 161 E HN 0.801 nan 8.360 nan 0.000 0.393 162 G N 1.651 110.174 108.800 -0.462 0.000 2.600 162 G HA2 0.525 4.485 3.960 -0.000 0.000 0.303 162 G HA3 0.525 4.485 3.960 -0.000 0.000 0.303 162 G C -1.070 173.560 174.900 -0.450 0.000 1.253 162 G CA -0.628 44.193 45.100 -0.464 0.000 0.974 162 G HN 0.566 nan 8.290 nan 0.000 0.483 163 E N -0.966 119.025 120.200 -0.349 0.000 2.336 163 E HA 0.745 5.095 4.350 -0.000 0.000 0.267 163 E C -1.321 175.171 176.600 -0.180 0.000 0.906 163 E CA -1.114 55.101 56.400 -0.308 0.000 0.781 163 E CB 2.466 32.024 29.700 -0.236 0.000 1.261 163 E HN 0.823 nan 8.360 nan 0.000 0.436 164 Y N -2.218 117.850 120.300 -0.386 0.000 2.741 164 Y HA 0.524 5.074 4.550 -0.000 0.000 0.339 164 Y C -1.920 173.678 175.900 -0.504 0.000 1.226 164 Y CA -1.867 56.037 58.100 -0.327 0.000 1.072 164 Y CB 1.089 39.452 38.460 -0.161 0.000 1.331 164 Y HN 0.559 nan 8.280 nan 0.000 0.453 165 W N 1.780 123.088 121.300 0.013 0.000 2.551 165 W HA 0.671 5.331 4.660 -0.000 0.000 0.330 165 W C -0.269 176.099 176.519 -0.252 0.000 1.063 165 W CA -0.237 57.049 57.345 -0.099 0.000 1.222 165 W CB 2.209 31.671 29.460 0.004 0.000 1.349 165 W HN 0.750 nan 8.180 nan 0.000 0.536 166 T N -1.842 112.716 114.554 0.006 0.000 2.696 166 T HA 0.586 4.936 4.350 -0.000 0.000 0.291 166 T C -0.662 174.052 174.700 0.024 0.000 1.095 166 T CA -0.984 61.064 62.100 -0.087 0.000 1.026 166 T CB 1.382 70.088 68.868 -0.270 0.000 1.390 166 T HN 0.107 nan 8.240 nan 0.000 0.513 167 T N 1.782 116.335 114.554 -0.002 0.000 2.744 167 T HA 0.681 5.031 4.350 -0.000 0.000 0.291 167 T C 0.225 174.932 174.700 0.010 0.000 0.957 167 T CA -0.421 61.688 62.100 0.014 0.000 1.002 167 T CB 0.604 69.475 68.868 0.006 0.000 0.919 167 T HN 0.970 nan 8.240 nan 0.000 0.468 168 A N 3.943 126.778 122.820 0.025 0.000 2.331 168 A HA 0.580 4.900 4.320 -0.000 0.000 0.283 168 A C 0.430 178.023 177.584 0.014 0.000 1.142 168 A CA -1.034 51.016 52.037 0.022 0.000 0.812 168 A CB 0.152 19.174 19.000 0.037 0.000 1.074 168 A HN 0.922 nan 8.150 nan 0.000 0.497 169 R N 2.779 123.285 120.500 0.010 0.000 2.500 169 R HA 0.235 4.575 4.340 -0.000 0.000 0.281 169 R C -2.396 173.909 176.300 0.008 0.000 0.953 169 R CA -0.400 55.705 56.100 0.007 0.000 1.108 169 R CB -0.958 29.346 30.300 0.007 0.000 0.901 169 R HN 0.497 nan 8.270 nan 0.000 0.410 170 P HA 0.125 nan 4.420 nan 0.000 0.274 170 P C -0.453 176.849 177.300 0.003 0.000 1.231 170 P CA -0.696 62.406 63.100 0.003 0.000 0.790 170 P CB 0.696 32.396 31.700 0.000 0.000 0.951 171 C N 0.713 120.015 119.300 0.003 0.000 2.580 171 C HA 0.081 4.541 4.460 -0.000 0.000 0.371 171 C C 2.620 177.611 174.990 0.002 0.000 1.308 171 C CA -0.619 58.401 59.018 0.003 0.000 2.428 171 C CB -0.095 27.647 27.740 0.004 0.000 2.529 171 C HN 0.454 nan 8.230 nan 0.000 0.657 172 V N 1.019 120.935 119.914 0.002 0.000 2.392 172 V HA -0.143 3.977 4.120 -0.000 0.000 0.249 172 V C 1.646 177.740 176.094 0.000 0.000 1.059 172 V CA 2.113 64.413 62.300 0.001 0.000 1.051 172 V CB -0.907 30.916 31.823 0.001 0.000 0.658 172 V HN 1.028 nan 8.190 nan 0.000 0.455 173 T N 1.200 115.755 114.554 0.001 0.000 2.891 173 T HA -0.106 4.244 4.350 -0.000 0.000 0.296 173 T C -0.125 174.574 174.700 -0.001 0.000 1.025 173 T CA 0.244 62.344 62.100 0.000 0.000 1.149 173 T CB -0.221 68.648 68.868 0.001 0.000 1.007 173 T HN 0.430 nan 8.240 nan 0.000 0.528 174 D N 4.310 124.709 120.400 -0.001 0.000 2.453 174 D HA 0.291 4.931 4.640 -0.000 0.000 0.238 174 D C 0.281 176.579 176.300 -0.003 0.000 1.088 174 D CA -0.628 53.370 54.000 -0.002 0.000 0.854 174 D CB 0.477 41.276 40.800 -0.002 0.000 1.076 174 D HN 0.493 nan 8.370 nan 0.000 0.533 175 R N 3.123 123.621 120.500 -0.004 0.000 2.569 175 R HA 0.237 4.577 4.340 -0.000 0.000 0.422 175 R C 0.242 176.539 176.300 -0.006 0.000 0.980 175 R CA -0.332 55.766 56.100 -0.004 0.000 1.164 175 R CB 0.187 30.485 30.300 -0.004 0.000 1.520 175 R HN 0.410 nan 8.270 nan 0.000 0.567 176 L N 1.154 122.374 121.223 -0.006 0.000 2.467 176 L HA 0.166 4.506 4.340 -0.000 0.000 0.270 176 L C 0.644 177.509 176.870 -0.008 0.000 1.205 176 L CA 0.683 55.519 54.840 -0.007 0.000 0.828 176 L CB 0.335 42.390 42.059 -0.007 0.000 1.101 176 L HN -0.018 nan 8.230 nan 0.000 0.479 177 E N 0.176 120.370 120.200 -0.010 0.000 2.459 177 E HA 0.248 4.598 4.350 -0.000 0.000 0.275 177 E C -0.146 176.446 176.600 -0.013 0.000 0.987 177 E CA -0.881 55.512 56.400 -0.011 0.000 0.828 177 E CB 1.192 30.884 29.700 -0.012 0.000 1.428 177 E HN 0.450 nan 8.360 nan 0.000 0.457 178 N N -0.027 118.665 118.700 -0.014 0.000 2.207 178 N HA -0.035 4.705 4.740 -0.000 0.000 0.182 178 N C 1.377 176.875 175.510 -0.019 0.000 1.020 178 N CA 1.184 54.225 53.050 -0.016 0.000 0.858 178 N CB -0.122 38.356 38.487 -0.015 0.000 0.991 178 N HN 0.554 nan 8.380 nan 0.000 0.427 179 G N -0.486 108.301 108.800 -0.022 0.000 3.141 179 G HA2 0.344 4.304 3.960 -0.000 0.000 0.218 179 G HA3 0.344 4.304 3.960 -0.000 0.000 0.218 179 G C 0.235 175.118 174.900 -0.028 0.000 1.170 179 G CA 0.060 45.144 45.100 -0.027 0.000 0.769 179 G HN 0.403 nan 8.290 nan 0.000 0.546 180 A N -0.170 122.636 122.820 -0.023 0.000 2.511 180 A HA 0.352 4.672 4.320 -0.000 0.000 0.242 180 A C 0.832 178.400 177.584 -0.027 0.000 1.069 180 A CA -0.257 51.767 52.037 -0.023 0.000 0.763 180 A CB -0.081 18.908 19.000 -0.018 0.000 1.001 180 A HN 0.463 nan 8.150 nan 0.000 0.498 181 C N 5.450 124.732 119.300 -0.031 0.000 2.653 181 C HA 0.465 4.925 4.460 -0.000 0.000 0.421 181 C C -1.434 173.538 174.990 -0.030 0.000 1.334 181 C CA -1.395 57.601 59.018 -0.037 0.000 1.885 181 C CB -0.529 27.184 27.740 -0.045 0.000 2.645 181 C HN 0.790 nan 8.230 nan 0.000 0.601 182 P HA 0.357 nan 4.420 nan 0.000 0.275 182 P C -2.635 174.653 177.300 -0.021 0.000 1.228 182 P CA -0.879 62.209 63.100 -0.020 0.000 0.786 182 P CB -0.045 31.645 31.700 -0.016 0.000 0.927 183 P HA 0.346 nan 4.420 nan 0.000 0.274 183 P C -0.467 176.837 177.300 0.007 0.000 1.246 183 P CA -0.142 62.954 63.100 -0.006 0.000 0.795 183 P CB 0.529 32.232 31.700 0.005 0.000 1.006 184 L N 0.428 121.660 121.223 0.015 0.000 2.309 184 L HA 0.676 5.016 4.340 -0.000 0.000 0.261 184 L C -0.029 176.951 176.870 0.184 0.000 1.021 184 L CA -0.569 54.315 54.840 0.073 0.000 0.823 184 L CB 2.152 44.196 42.059 -0.026 0.000 1.366 184 L HN 0.428 nan 8.230 nan 0.000 0.423 185 E N 1.050 121.471 120.200 0.368 0.000 2.380 185 E HA 0.327 4.677 4.350 -0.000 0.000 0.281 185 E C -2.002 174.785 176.600 0.313 0.000 0.999 185 E CA -0.795 55.841 56.400 0.392 0.000 0.800 185 E CB 2.419 32.214 29.700 0.158 0.000 1.228 185 E HN 0.415 nan 8.360 nan 0.000 0.436 186 L N 2.674 123.886 121.223 -0.019 0.000 2.395 186 L HA 0.506 4.846 4.340 -0.000 0.000 0.269 186 L C -0.954 175.782 176.870 -0.222 0.000 1.133 186 L CA 0.376 54.852 54.840 -0.608 0.000 0.812 186 L CB 0.565 42.191 42.059 -0.720 0.000 1.125 186 L HN 0.486 nan 8.230 nan 0.000 0.452 187 K N 2.987 123.324 120.400 -0.104 0.000 2.502 187 K HA 0.425 4.745 4.320 -0.000 0.000 0.257 187 K C -1.326 175.290 176.600 0.027 0.000 0.938 187 K CA -1.010 55.363 56.287 0.144 0.000 0.819 187 K CB 1.805 34.574 32.500 0.448 0.000 1.333 187 K HN 0.522 nan 8.250 nan 0.000 0.434 188 N N 1.497 120.112 118.700 -0.141 0.000 2.477 188 N HA 0.477 5.217 4.740 -0.000 0.000 0.284 188 N C -1.120 174.119 175.510 -0.452 0.000 1.182 188 N CA -0.498 52.351 53.050 -0.334 0.000 0.949 188 N CB 1.334 39.652 38.487 -0.281 0.000 1.204 188 N HN 0.453 nan 8.380 nan 0.000 0.526 189 K N -0.411 119.638 120.400 -0.584 0.000 2.642 189 K HA 0.284 4.604 4.320 -0.000 0.000 0.290 189 K C -1.470 174.721 176.600 -0.681 0.000 1.006 189 K CA -0.601 55.311 56.287 -0.625 0.000 0.869 189 K CB 0.678 32.825 32.500 -0.588 0.000 1.499 189 K HN 0.667 nan 8.250 nan 0.000 0.403 190 H N 0.759 119.571 119.070 -0.429 0.000 2.495 190 H HA 0.407 4.963 4.556 -0.000 0.000 0.350 190 H C -0.222 174.874 175.328 -0.387 0.000 1.202 190 H CA -0.512 55.279 56.048 -0.428 0.000 1.322 190 H CB 0.837 30.309 29.762 -0.484 0.000 1.544 190 H HN 0.254 nan 8.280 nan 0.000 0.565 191 I N 2.065 122.492 120.570 -0.238 0.000 2.312 191 I HA 0.122 4.292 4.170 -0.000 0.000 0.291 191 I C 0.293 176.329 176.117 -0.135 0.000 1.031 191 I CA -0.147 60.985 61.300 -0.280 0.000 1.293 191 I CB 0.551 38.280 38.000 -0.452 0.000 1.403 191 I HN 0.597 nan 8.210 nan 0.000 0.484 192 E N 3.934 124.133 120.200 -0.001 0.000 2.700 192 E HA 0.080 4.430 4.350 -0.000 0.000 0.253 192 E C 0.322 177.029 176.600 0.180 0.000 1.175 192 E CA -0.736 55.802 56.400 0.229 0.000 1.010 192 E CB 0.998 30.860 29.700 0.271 0.000 1.284 192 E HN 0.495 nan 8.360 nan 0.000 0.557 193 D N 0.046 120.617 120.400 0.285 0.000 2.149 193 D HA -0.049 4.591 4.640 -0.000 0.000 0.201 193 D C 0.629 177.005 176.300 0.127 0.000 0.972 193 D CA 0.767 54.884 54.000 0.196 0.000 0.835 193 D CB -0.076 40.870 40.800 0.245 0.000 0.966 193 D HN 0.478 nan 8.370 nan 0.000 0.476 194 G N 1.211 110.081 108.800 0.116 0.000 4.699 194 G HA2 0.221 4.181 3.960 -0.000 0.000 0.308 194 G HA3 0.221 4.181 3.960 -0.000 0.000 0.308 194 G C -0.570 174.385 174.900 0.093 0.000 1.399 194 G CA -0.510 44.644 45.100 0.089 0.000 1.221 194 G HN -0.014 nan 8.290 nan 0.000 0.596 195 D N 0.610 121.086 120.400 0.126 0.000 2.385 195 D HA 0.417 5.057 4.640 -0.000 0.000 0.254 195 D C 0.445 176.853 176.300 0.180 0.000 1.053 195 D CA -0.451 53.630 54.000 0.134 0.000 0.992 195 D CB 1.321 42.180 40.800 0.097 0.000 1.145 195 D HN -0.034 nan 8.370 nan 0.000 0.523 196 M N 0.919 120.606 119.600 0.145 0.000 2.233 196 M HA 0.270 4.750 4.480 -0.000 0.000 0.355 196 M C 0.120 176.531 176.300 0.185 0.000 1.191 196 M CA -0.717 54.640 55.300 0.096 0.000 1.101 196 M CB 1.289 33.902 32.600 0.021 0.000 1.592 196 M HN 0.377 nan 8.290 nan 0.000 0.461 197 M N 2.485 122.064 119.600 -0.035 0.000 2.202 197 M HA 0.120 4.600 4.480 -0.000 0.000 0.316 197 M C 0.187 176.508 176.300 0.035 0.000 1.138 197 M CA 0.281 55.505 55.300 -0.125 0.000 1.151 197 M CB 0.407 32.826 32.600 -0.302 0.000 1.422 197 M HN 0.498 nan 8.290 nan 0.000 0.471 198 E N 3.841 124.109 120.200 0.112 0.000 2.052 198 E HA 0.204 4.554 4.350 -0.000 0.000 0.283 198 E C -1.371 175.248 176.600 0.031 0.000 1.071 198 E CA -0.120 56.349 56.400 0.115 0.000 0.851 198 E CB -0.330 29.502 29.700 0.220 0.000 1.066 198 E HN 0.659 nan 8.360 nan 0.000 0.396 199 I N 2.859 123.398 120.570 -0.052 0.000 2.317 199 I HA 0.332 4.502 4.170 -0.000 0.000 0.286 199 I C 1.309 177.245 176.117 -0.301 0.000 1.119 199 I CA -0.445 60.764 61.300 -0.152 0.000 1.228 199 I CB 0.503 38.378 38.000 -0.209 0.000 1.476 199 I HN 0.682 nan 8.210 nan 0.000 0.514 200 G N 3.621 112.368 108.800 -0.088 0.000 2.382 200 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.259 200 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.259 200 G C 0.058 175.232 174.900 0.456 0.000 1.009 200 G CA 0.347 45.489 45.100 0.071 0.000 0.625 200 G HN 0.441 nan 8.290 nan 0.000 0.541 201 F N 0.917 120.953 119.950 0.143 0.000 2.556 201 F HA 0.743 5.270 4.527 -0.000 0.000 0.327 201 F C 1.088 177.015 175.800 0.211 0.000 1.059 201 F CA -1.787 56.301 58.000 0.148 0.000 0.953 201 F CB 0.418 39.495 39.000 0.127 0.000 1.227 201 F HN 0.271 nan 8.300 nan 0.000 0.478 202 G N 0.215 109.248 108.800 0.388 0.000 2.647 202 G HA2 0.364 4.324 3.960 -0.000 0.000 0.234 202 G HA3 0.364 4.324 3.960 -0.000 0.000 0.234 202 G C -0.502 174.684 174.900 0.476 0.000 1.252 202 G CA -0.105 45.196 45.100 0.335 0.000 0.846 202 G HN 0.899 nan 8.290 nan 0.000 0.589 203 A N 0.344 123.387 122.820 0.373 0.000 2.309 203 A HA 0.779 5.099 4.320 -0.000 0.000 0.290 203 A C 0.502 178.281 177.584 0.324 0.000 1.206 203 A CA 0.458 52.655 52.037 0.267 0.000 0.850 203 A CB 0.361 19.465 19.000 0.172 0.000 1.118 203 A HN 2.264 nan 8.150 nan 0.000 0.523 204 A N 2.941 125.825 122.820 0.106 0.000 2.597 204 A HA 0.565 4.885 4.320 -0.000 0.000 0.292 204 A C -0.924 176.587 177.584 -0.121 0.000 1.057 204 A CA -0.861 51.260 52.037 0.141 0.000 0.674 204 A CB 0.664 19.948 19.000 0.473 0.000 1.278 204 A HN 1.190 nan 8.150 nan 0.000 0.416 205 N N 1.409 120.093 118.700 -0.027 0.000 2.421 205 N HA 0.169 4.909 4.740 -0.000 0.000 0.260 205 N C -0.095 175.515 175.510 0.167 0.000 1.173 205 N CA -0.429 52.621 53.050 0.000 0.000 0.960 205 N CB -0.191 38.290 38.487 -0.009 0.000 1.273 205 N HN 0.403 nan 8.380 nan 0.000 0.497 206 F N 1.458 121.448 119.950 0.066 0.000 2.333 206 F HA -0.032 4.495 4.527 -0.000 0.000 0.300 206 F C 1.717 177.537 175.800 0.035 0.000 1.083 206 F CA 0.343 58.377 58.000 0.057 0.000 1.395 206 F CB -0.402 38.650 39.000 0.085 0.000 1.056 206 F HN 0.411 nan 8.300 nan 0.000 0.529 207 K N 0.332 120.863 120.400 0.219 0.000 2.173 207 K HA -0.228 4.092 4.320 -0.000 0.000 0.207 207 K C 1.227 177.880 176.600 0.088 0.000 1.046 207 K CA 1.901 58.265 56.287 0.129 0.000 0.929 207 K CB -0.325 32.229 32.500 0.090 0.000 0.720 207 K HN 0.409 nan 8.250 nan 0.000 0.453 208 E N -0.393 119.859 120.200 0.086 0.000 2.481 208 E HA 0.074 4.424 4.350 -0.000 0.000 0.198 208 E C 1.059 177.680 176.600 0.036 0.000 1.027 208 E CA -0.067 56.361 56.400 0.047 0.000 0.900 208 E CB 0.510 30.229 29.700 0.032 0.000 0.993 208 E HN 0.180 nan 8.360 nan 0.000 0.482 209 I N 0.537 121.139 120.570 0.055 0.000 3.883 209 I HA 0.026 4.196 4.170 -0.000 0.000 0.305 209 I C 0.646 176.720 176.117 -0.072 0.000 1.247 209 I CA 0.337 61.632 61.300 -0.008 0.000 1.350 209 I CB -0.173 37.829 38.000 0.003 0.000 1.194 209 I HN -0.019 nan 8.210 nan 0.000 0.441 210 N N 2.192 120.862 118.700 -0.050 0.000 2.527 210 N HA 0.358 5.098 4.740 -0.000 0.000 0.236 210 N C 0.348 175.832 175.510 -0.044 0.000 0.999 210 N CA 0.060 53.058 53.050 -0.087 0.000 0.935 210 N CB 1.374 39.807 38.487 -0.091 0.000 1.132 210 N HN 0.112 nan 8.380 nan 0.000 0.511 211 A N 2.177 124.961 122.820 -0.059 0.000 2.308 211 A HA 0.182 4.502 4.320 -0.000 0.000 0.217 211 A C 1.338 178.890 177.584 -0.053 0.000 1.216 211 A CA 0.048 52.060 52.037 -0.041 0.000 0.864 211 A CB 0.180 19.156 19.000 -0.040 0.000 0.902 211 A HN 0.552 nan 8.150 nan 0.000 0.499 212 S N -0.452 115.200 115.700 -0.080 0.000 2.497 212 S HA 0.113 4.583 4.470 -0.000 0.000 0.221 212 S C 0.740 175.289 174.600 -0.086 0.000 1.037 212 S CA 0.262 58.406 58.200 -0.094 0.000 0.920 212 S CB 0.248 63.365 63.200 -0.139 0.000 0.800 212 S HN 0.457 nan 8.310 nan 0.000 0.505 213 K N 0.474 120.826 120.400 -0.079 0.000 3.547 213 K HA -0.136 4.184 4.320 -0.000 0.000 0.309 213 K C 0.792 177.324 176.600 -0.115 0.000 1.324 213 K CA 1.330 57.595 56.287 -0.038 0.000 0.988 213 K CB -2.544 29.964 32.500 0.013 0.000 1.261 213 K HN 0.622 nan 8.250 nan 0.000 0.444 214 S N -1.125 114.438 115.700 -0.229 0.000 2.578 214 S HA 0.186 4.656 4.470 -0.000 0.000 0.231 214 S C 0.611 174.816 174.600 -0.659 0.000 0.994 214 S CA -0.107 57.848 58.200 -0.408 0.000 0.956 214 S CB 0.567 63.577 63.200 -0.316 0.000 0.870 214 S HN 0.077 nan 8.310 nan 0.000 0.494 215 D N 1.515 121.631 120.400 -0.473 0.000 2.349 215 D HA 0.414 5.054 4.640 -0.000 0.000 0.214 215 D C 0.030 176.189 176.300 -0.236 0.000 1.063 215 D CA 0.262 53.944 54.000 -0.531 0.000 0.847 215 D CB 0.338 40.875 40.800 -0.438 0.000 0.933 215 D HN 0.430 nan 8.370 nan 0.000 0.513 216 L N -0.717 120.520 121.223 0.025 0.000 2.403 216 L HA 0.518 4.858 4.340 -0.000 0.000 0.253 216 L C -2.590 174.571 176.870 0.485 0.000 1.045 216 L CA -2.440 52.639 54.840 0.398 0.000 0.845 216 L CB 2.188 44.442 42.059 0.325 0.000 1.447 216 L HN -0.407 nan 8.230 nan 0.000 0.411 217 P HA 0.131 nan 4.420 nan 0.000 0.279 217 P C 0.294 177.863 177.300 0.450 0.000 1.239 217 P CA -0.456 62.883 63.100 0.398 0.000 0.789 217 P CB 0.946 32.782 31.700 0.226 0.000 0.933 218 L N 3.942 125.520 121.223 0.592 0.000 2.081 218 L HA -0.227 4.113 4.340 -0.000 0.000 0.212 218 L C 1.560 178.736 176.870 0.511 0.000 1.080 218 L CA 2.232 57.423 54.840 0.585 0.000 0.754 218 L CB -1.144 41.119 42.059 0.339 0.000 0.893 218 L HN 0.390 nan 8.230 nan 0.000 0.433 219 D N -0.977 119.757 120.400 0.558 0.000 2.144 219 D HA -0.247 4.393 4.640 -0.000 0.000 0.199 219 D C 2.156 178.590 176.300 0.223 0.000 0.984 219 D CA 1.560 55.778 54.000 0.362 0.000 0.834 219 D CB -0.662 40.124 40.800 -0.023 0.000 0.955 219 D HN 0.392 nan 8.370 nan 0.000 0.465 220 I N 0.733 121.428 120.570 0.207 0.000 2.400 220 I HA -0.049 4.121 4.170 -0.000 0.000 0.248 220 I C 0.946 177.203 176.117 0.233 0.000 1.109 220 I CA 0.330 61.731 61.300 0.169 0.000 1.425 220 I CB -0.784 37.306 38.000 0.152 0.000 1.094 220 I HN 0.174 nan 8.210 nan 0.000 0.425 221 Q N 1.877 121.859 119.800 0.302 0.000 2.342 221 Q HA -0.271 4.069 4.340 -0.000 0.000 0.330 221 Q C 0.750 176.887 176.000 0.228 0.000 1.117 221 Q CA 1.317 57.301 55.803 0.302 0.000 1.010 221 Q CB 0.089 28.991 28.738 0.274 0.000 1.204 221 Q HN 0.523 nan 8.270 nan 0.000 0.400 222 N N 0.443 119.277 118.700 0.223 0.000 2.863 222 N HA -0.190 4.550 4.740 -0.000 0.000 0.245 222 N C -1.634 173.949 175.510 0.122 0.000 1.001 222 N CA 1.872 55.015 53.050 0.156 0.000 0.901 222 N CB -0.215 38.344 38.487 0.119 0.000 1.124 222 N HN 0.713 nan 8.380 nan 0.000 0.582 223 E N 0.020 120.285 120.200 0.109 0.000 2.336 223 E HA 0.448 4.798 4.350 -0.000 0.000 0.267 223 E C 0.053 176.618 176.600 -0.059 0.000 0.906 223 E CA -0.745 55.684 56.400 0.048 0.000 0.781 223 E CB 1.219 30.956 29.700 0.063 0.000 1.261 223 E HN 0.283 nan 8.360 nan 0.000 0.436 224 I N 1.013 121.555 120.570 -0.047 0.000 2.371 224 I HA 0.145 4.315 4.170 -0.000 0.000 0.290 224 I C 0.092 176.139 176.117 -0.117 0.000 1.028 224 I CA -0.540 60.700 61.300 -0.100 0.000 1.345 224 I CB 0.818 38.845 38.000 0.045 0.000 1.407 224 I HN 0.195 nan 8.210 nan 0.000 0.501 225 C N 7.773 126.924 119.300 -0.247 0.000 2.349 225 C HA 0.416 4.876 4.460 -0.000 0.000 0.348 225 C C 0.642 175.629 174.990 -0.004 0.000 1.223 225 C CA -0.396 58.545 59.018 -0.128 0.000 1.746 225 C CB -0.848 26.756 27.740 -0.227 0.000 2.360 225 C HN 0.609 nan 8.230 nan 0.000 0.533 226 L N 3.348 124.592 121.223 0.036 0.000 2.544 226 L HA 0.651 4.991 4.340 -0.000 0.000 0.256 226 L C -0.583 176.351 176.870 0.106 0.000 1.097 226 L CA -0.697 54.115 54.840 -0.045 0.000 0.812 226 L CB 1.169 43.068 42.059 -0.265 0.000 1.440 226 L HN 0.538 nan 8.230 nan 0.000 0.496 227 Y N -0.488 119.683 120.300 -0.215 0.000 2.656 227 Y HA 0.363 4.913 4.550 -0.000 0.000 0.334 227 Y C -2.647 173.034 175.900 -0.364 0.000 1.179 227 Y CA -2.038 55.955 58.100 -0.178 0.000 1.050 227 Y CB 2.077 40.483 38.460 -0.090 0.000 1.308 227 Y HN 0.200 nan 8.280 nan 0.000 0.456 228 P HA 0.159 nan 4.420 nan 0.000 0.287 228 P C -1.096 175.572 177.300 -1.054 0.000 1.307 228 P CA 0.063 62.454 63.100 -1.182 0.000 0.777 228 P CB 0.577 31.248 31.700 -1.714 0.000 0.883 229 D N 2.887 122.897 120.400 -0.651 0.000 2.688 229 D HA 0.016 4.656 4.640 -0.000 0.000 0.228 229 D C 0.633 176.718 176.300 -0.358 0.000 1.116 229 D CA -0.249 53.523 54.000 -0.382 0.000 1.023 229 D CB -0.483 40.148 40.800 -0.280 0.000 1.100 229 D HN 0.307 nan 8.370 nan 0.000 0.487 230 Y N 0.738 120.902 120.300 -0.226 0.000 2.193 230 Y HA -0.271 4.279 4.550 -0.000 0.000 0.285 230 Y C 2.266 178.084 175.900 -0.137 0.000 1.166 230 Y CA 0.741 58.690 58.100 -0.251 0.000 1.181 230 Y CB -0.117 38.194 38.460 -0.249 0.000 0.976 230 Y HN 0.291 nan 8.280 nan 0.000 0.520 231 L N -0.142 121.121 121.223 0.067 0.000 2.012 231 L HA -0.272 4.068 4.340 -0.000 0.000 0.210 231 L C 2.517 179.387 176.870 0.001 0.000 1.073 231 L CA 1.743 56.608 54.840 0.043 0.000 0.748 231 L CB -0.608 41.474 42.059 0.039 0.000 0.891 231 L HN 0.133 nan 8.230 nan 0.000 0.431 232 K N 0.168 120.538 120.400 -0.049 0.000 2.057 232 K HA -0.159 4.161 4.320 -0.000 0.000 0.207 232 K C 2.131 178.698 176.600 -0.055 0.000 1.049 232 K CA 1.456 57.704 56.287 -0.066 0.000 0.931 232 K CB -0.080 32.349 32.500 -0.119 0.000 0.714 232 K HN 0.076 nan 8.250 nan 0.000 0.440 233 M N 0.014 119.569 119.600 -0.075 0.000 2.159 233 M HA -0.045 4.435 4.480 -0.000 0.000 0.263 233 M C 2.149 178.455 176.300 0.011 0.000 1.063 233 M CA 1.737 57.004 55.300 -0.055 0.000 1.110 233 M CB -1.230 31.311 32.600 -0.098 0.000 1.374 233 M HN 0.256 nan 8.290 nan 0.000 0.411 234 A N -0.665 122.174 122.820 0.032 0.000 2.206 234 A HA -0.072 4.248 4.320 -0.000 0.000 0.211 234 A C 2.121 179.737 177.584 0.053 0.000 1.158 234 A CA 1.063 53.138 52.037 0.063 0.000 0.761 234 A CB -0.524 18.522 19.000 0.077 0.000 0.801 234 A HN 0.583 nan 8.150 nan 0.000 0.473 235 E N 0.134 120.355 120.200 0.034 0.000 2.251 235 E HA -0.022 4.328 4.350 -0.000 0.000 0.194 235 E C -0.512 176.111 176.600 0.037 0.000 0.964 235 E CA -0.273 56.147 56.400 0.033 0.000 0.868 235 E CB 0.143 29.855 29.700 0.019 0.000 0.828 235 E HN 0.463 nan 8.360 nan 0.000 0.481 236 D N 1.072 121.491 120.400 0.032 0.000 2.487 236 D HA -0.047 4.593 4.640 -0.000 0.000 0.243 236 D C 0.744 177.085 176.300 0.069 0.000 1.154 236 D CA 0.418 54.443 54.000 0.042 0.000 0.876 236 D CB 1.529 42.350 40.800 0.035 0.000 1.161 236 D HN 0.208 nan 8.370 nan 0.000 0.478 237 A N 3.722 126.585 122.820 0.073 0.000 1.873 237 A HA -0.193 4.127 4.320 -0.000 0.000 0.218 237 A C 2.159 179.819 177.584 0.126 0.000 1.193 237 A CA 2.331 54.424 52.037 0.094 0.000 0.629 237 A CB -0.723 18.332 19.000 0.092 0.000 0.826 237 A HN 0.668 nan 8.150 nan 0.000 0.447 238 A N -1.977 120.925 122.820 0.137 0.000 1.859 238 A HA 0.171 4.491 4.320 -0.000 0.000 0.218 238 A C 2.500 180.202 177.584 0.197 0.000 1.209 238 A CA 2.825 54.977 52.037 0.191 0.000 0.639 238 A CB -1.367 17.745 19.000 0.187 0.000 0.835 238 A HN 2.207 nan 8.150 nan 0.000 0.450 239 G N -2.177 106.720 108.800 0.162 0.000 2.175 239 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.244 239 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.244 239 G C 0.618 175.641 174.900 0.206 0.000 0.982 239 G CA 0.910 46.113 45.100 0.171 0.000 0.641 239 G HN 0.460 nan 8.290 nan 0.000 0.527 240 N N 1.142 119.965 118.700 0.205 0.000 2.192 240 N HA -0.076 4.664 4.740 -0.000 0.000 0.188 240 N C 2.322 177.847 175.510 0.024 0.000 1.013 240 N CA 1.548 54.718 53.050 0.199 0.000 0.863 240 N CB -0.368 38.231 38.487 0.187 0.000 0.990 240 N HN 0.481 nan 8.380 nan 0.000 0.430 241 S N 0.314 116.010 115.700 -0.007 0.000 2.374 241 S HA -0.108 4.362 4.470 -0.000 0.000 0.227 241 S C 0.941 175.453 174.600 -0.147 0.000 1.037 241 S CA 1.352 59.491 58.200 -0.101 0.000 1.024 241 S CB -0.202 62.948 63.200 -0.083 0.000 0.861 241 S HN 0.569 nan 8.310 nan 0.000 0.456 242 M N -1.989 117.577 119.600 -0.057 0.000 2.274 242 M HA 0.431 4.911 4.480 -0.000 0.000 0.272 242 M C -0.795 175.615 176.300 0.183 0.000 1.053 242 M CA -0.558 54.708 55.300 -0.058 0.000 0.978 242 M CB 0.925 33.506 32.600 -0.032 0.000 1.836 242 M HN -0.203 nan 8.290 nan 0.000 0.484 243 F N 2.434 122.478 119.950 0.156 0.000 2.146 243 F HA 0.249 4.776 4.527 -0.000 0.000 0.298 243 F C 0.742 176.757 175.800 0.358 0.000 1.096 243 F CA 0.839 58.990 58.000 0.253 0.000 1.275 243 F CB -0.372 38.826 39.000 0.330 0.000 1.008 243 F HN 0.736 nan 8.300 nan 0.000 0.480 244 F N -2.509 117.600 119.950 0.264 0.000 3.052 244 F HA 0.564 5.091 4.527 -0.000 0.000 0.323 244 F C -1.472 174.433 175.800 0.176 0.000 1.178 244 F CA -2.386 55.692 58.000 0.129 0.000 0.892 244 F CB 1.678 40.681 39.000 0.005 0.000 1.416 244 F HN -0.162 nan 8.300 nan 0.000 0.488 245 F N -0.243 119.417 119.950 -0.482 0.000 2.793 245 F HA 0.839 5.366 4.527 -0.000 0.000 0.316 245 F C -1.928 173.682 175.800 -0.316 0.000 1.147 245 F CA -0.984 56.679 58.000 -0.561 0.000 0.930 245 F CB 0.759 39.588 39.000 -0.285 0.000 1.277 245 F HN 1.157 nan 8.300 nan 0.000 0.443 246 A N 2.512 125.214 122.820 -0.197 0.000 2.475 246 A HA 0.986 5.306 4.320 -0.000 0.000 0.301 246 A C -1.295 176.320 177.584 0.053 0.000 1.059 246 A CA -0.834 51.081 52.037 -0.204 0.000 0.710 246 A CB 2.035 20.859 19.000 -0.294 0.000 1.288 246 A HN 1.331 nan 8.150 nan 0.000 0.408 247 R N 0.916 121.443 120.500 0.047 0.000 2.566 247 R HA 0.748 5.088 4.340 -0.000 0.000 0.271 247 R C -1.739 174.594 176.300 0.055 0.000 1.071 247 R CA -0.811 55.347 56.100 0.098 0.000 0.915 247 R CB 1.642 32.048 30.300 0.176 0.000 1.228 247 R HN 0.480 nan 8.270 nan 0.000 0.449 248 K N 2.182 122.622 120.400 0.066 0.000 2.565 248 K HA 0.226 4.546 4.320 -0.000 0.000 0.249 248 K C -1.630 175.021 176.600 0.086 0.000 0.958 248 K CA -0.683 55.640 56.287 0.060 0.000 0.806 248 K CB 2.315 34.840 32.500 0.042 0.000 1.194 248 K HN 0.836 nan 8.250 nan 0.000 0.434 249 E N 3.210 123.465 120.200 0.091 0.000 2.311 249 E HA 0.252 4.602 4.350 -0.000 0.000 0.281 249 E C -1.387 175.273 176.600 0.099 0.000 0.905 249 E CA -0.878 55.585 56.400 0.105 0.000 0.778 249 E CB 1.910 31.693 29.700 0.138 0.000 1.240 249 E HN 0.383 nan 8.360 nan 0.000 0.410 250 Q N 1.340 121.198 119.800 0.096 0.000 2.377 250 Q HA 0.769 5.109 4.340 -0.000 0.000 0.271 250 Q C -1.378 174.705 176.000 0.138 0.000 1.077 250 Q CA -1.103 54.759 55.803 0.099 0.000 0.820 250 Q CB 3.057 31.837 28.738 0.070 0.000 1.347 250 Q HN 0.468 nan 8.270 nan 0.000 0.444 251 V N 1.932 121.952 119.914 0.177 0.000 3.282 251 V HA 0.747 4.867 4.120 -0.000 0.000 0.295 251 V C -2.284 174.024 176.094 0.357 0.000 1.451 251 V CA -0.468 61.978 62.300 0.244 0.000 1.062 251 V CB 2.462 34.366 31.823 0.135 0.000 1.128 251 V HN 0.870 nan 8.190 nan 0.000 0.456 252 Y N 1.603 121.907 120.300 0.007 0.000 2.717 252 Y HA 0.683 5.233 4.550 -0.000 0.000 0.345 252 Y C -0.813 175.070 175.900 -0.028 0.000 1.187 252 Y CA -0.861 57.235 58.100 -0.007 0.000 1.128 252 Y CB 0.819 39.271 38.460 -0.014 0.000 1.360 252 Y HN 1.022 nan 8.280 nan 0.000 0.467 253 V N 0.722 120.501 119.914 -0.224 0.000 2.843 253 V HA 0.466 4.586 4.120 -0.000 0.000 0.305 253 V C 0.569 176.343 176.094 -0.534 0.000 1.065 253 V CA 0.389 62.491 62.300 -0.329 0.000 1.116 253 V CB 1.470 33.195 31.823 -0.164 0.000 0.968 253 V HN 1.109 nan 8.190 nan 0.000 0.487 254 R N 0.802 120.986 120.500 -0.525 0.000 2.507 254 R HA 0.338 4.678 4.340 -0.000 0.000 0.230 254 R C 0.259 176.202 176.300 -0.595 0.000 0.897 254 R CA -0.140 55.628 56.100 -0.555 0.000 1.006 254 R CB 0.531 30.477 30.300 -0.590 0.000 1.341 254 R HN 0.956 nan 8.270 nan 0.000 0.604 255 H N -0.894 117.982 119.070 -0.323 0.000 2.990 255 H HA 0.420 4.976 4.556 -0.000 0.000 0.336 255 H C -1.197 173.800 175.328 -0.552 0.000 1.306 255 H CA -0.604 55.264 56.048 -0.299 0.000 1.118 255 H CB 1.728 31.367 29.762 -0.204 0.000 1.856 255 H HN -0.046 nan 8.280 nan 0.000 0.538 256 I N 1.238 121.635 120.570 -0.288 0.000 2.512 256 I HA 0.199 4.369 4.170 -0.000 0.000 0.287 256 I C -0.919 175.085 176.117 -0.189 0.000 1.069 256 I CA -0.607 60.467 61.300 -0.376 0.000 1.056 256 I CB 1.797 39.707 38.000 -0.151 0.000 1.229 256 I HN 0.160 nan 8.210 nan 0.000 0.429 257 W N 3.157 124.180 121.300 -0.462 0.000 3.164 257 W HA 0.700 5.360 4.660 -0.000 0.000 0.325 257 W C -0.112 176.191 176.519 -0.359 0.000 1.228 257 W CA -1.045 56.052 57.345 -0.413 0.000 1.024 257 W CB 1.157 30.374 29.460 -0.406 0.000 1.534 257 W HN 0.360 nan 8.180 nan 0.000 0.614 258 T N -0.471 114.180 114.554 0.162 0.000 2.921 258 T HA 0.539 4.889 4.350 -0.000 0.000 0.297 258 T C -0.007 174.796 174.700 0.171 0.000 1.013 258 T CA -0.955 61.200 62.100 0.092 0.000 0.990 258 T CB 2.159 71.043 68.868 0.026 0.000 1.023 258 T HN 0.103 nan 8.240 nan 0.000 0.447 259 R N 1.484 122.072 120.500 0.145 0.000 2.893 259 R HA 0.459 4.799 4.340 -0.000 0.000 0.279 259 R C 1.347 177.629 176.300 -0.029 0.000 1.076 259 R CA -0.057 56.067 56.100 0.040 0.000 1.203 259 R CB -0.196 30.073 30.300 -0.051 0.000 1.137 259 R HN 1.019 nan 8.270 nan 0.000 0.541 260 G N -0.788 107.968 108.800 -0.074 0.000 4.100 260 G HA2 0.256 4.216 3.960 -0.000 0.000 0.294 260 G HA3 0.256 4.216 3.960 -0.000 0.000 0.294 260 G C 0.242 175.095 174.900 -0.079 0.000 1.040 260 G CA 0.059 45.117 45.100 -0.070 0.000 0.829 260 G HN 0.603 nan 8.290 nan 0.000 0.505 261 G N 0.061 108.808 108.800 -0.089 0.000 2.425 261 G HA2 0.426 4.386 3.960 -0.000 0.000 0.302 261 G HA3 0.426 4.386 3.960 -0.000 0.000 0.302 261 G C 0.099 174.956 174.900 -0.072 0.000 1.159 261 G CA -0.135 44.914 45.100 -0.084 0.000 0.865 261 G HN 0.227 nan 8.290 nan 0.000 0.515 262 S N -0.210 115.452 115.700 -0.063 0.000 2.572 262 S HA 0.139 4.609 4.470 -0.000 0.000 0.279 262 S C 0.258 174.824 174.600 -0.057 0.000 1.341 262 S CA -0.146 58.021 58.200 -0.055 0.000 1.043 262 S CB 0.284 63.456 63.200 -0.047 0.000 0.887 262 S HN 0.501 nan 8.310 nan 0.000 0.516 263 E N 2.562 122.730 120.200 -0.053 0.000 2.175 263 E HA 0.247 4.597 4.350 -0.000 0.000 0.278 263 E C 0.083 176.659 176.600 -0.041 0.000 0.969 263 E CA -0.810 55.559 56.400 -0.052 0.000 0.796 263 E CB 1.027 30.694 29.700 -0.055 0.000 1.104 263 E HN 0.465 nan 8.360 nan 0.000 0.395 264 K N 1.774 122.150 120.400 -0.039 0.000 2.374 264 K HA 0.044 4.364 4.320 -0.000 0.000 0.196 264 K C -0.314 176.272 176.600 -0.023 0.000 1.023 264 K CA 0.401 56.670 56.287 -0.030 0.000 1.103 264 K CB 0.358 32.839 32.500 -0.032 0.000 0.848 264 K HN 0.616 nan 8.250 nan 0.000 0.528 265 E N -0.298 119.888 120.200 -0.024 0.000 2.466 265 E HA 0.509 4.859 4.350 -0.000 0.000 0.308 265 E C -1.289 175.304 176.600 -0.011 0.000 0.933 265 E CA -0.570 55.823 56.400 -0.012 0.000 0.800 265 E CB 1.184 30.876 29.700 -0.013 0.000 1.434 265 E HN -0.049 nan 8.360 nan 0.000 0.389 266 A N 3.764 126.584 122.820 0.001 0.000 2.269 266 A HA 0.779 5.099 4.320 -0.000 0.000 0.327 266 A C -2.186 175.430 177.584 0.052 0.000 1.112 266 A CA -1.520 50.519 52.037 0.002 0.000 0.865 266 A CB 0.188 19.177 19.000 -0.018 0.000 1.227 266 A HN 0.613 nan 8.150 nan 0.000 0.498 267 P HA 0.184 nan 4.420 nan 0.000 0.271 267 P C -0.099 177.346 177.300 0.243 0.000 1.226 267 P CA 0.188 63.403 63.100 0.191 0.000 0.765 267 P CB 0.243 32.048 31.700 0.175 0.000 0.835 268 T N 1.957 116.664 114.554 0.254 0.000 2.791 268 T HA 0.000 4.350 4.350 -0.000 0.000 0.323 268 T C 1.868 176.659 174.700 0.152 0.000 1.082 268 T CA 0.785 62.976 62.100 0.151 0.000 1.084 268 T CB -0.047 68.862 68.868 0.067 0.000 0.992 268 T HN 0.600 nan 8.240 nan 0.000 0.547 269 T N -0.626 113.982 114.554 0.089 0.000 2.996 269 T HA -0.165 4.185 4.350 -0.000 0.000 0.271 269 T C 1.359 176.040 174.700 -0.031 0.000 1.126 269 T CA 1.284 63.416 62.100 0.054 0.000 1.103 269 T CB -0.353 68.523 68.868 0.014 0.000 0.870 269 T HN 0.758 nan 8.240 nan 0.000 0.528 270 D N -0.334 119.997 120.400 -0.115 0.000 2.347 270 D HA -0.012 4.628 4.640 -0.000 0.000 0.215 270 D C 1.193 177.295 176.300 -0.329 0.000 0.976 270 D CA 0.278 54.120 54.000 -0.264 0.000 0.884 270 D CB -0.428 40.133 40.800 -0.399 0.000 0.915 270 D HN 0.493 nan 8.370 nan 0.000 0.526 271 F N -0.413 119.562 119.950 0.042 0.000 2.557 271 F HA 0.215 4.742 4.527 -0.000 0.000 0.278 271 F C 0.355 176.209 175.800 0.090 0.000 1.051 271 F CA -0.600 57.436 58.000 0.059 0.000 1.357 271 F CB -0.396 38.648 39.000 0.074 0.000 1.104 271 F HN -0.175 nan 8.300 nan 0.000 0.654 272 Y N 2.162 122.584 120.300 0.203 0.000 2.367 272 Y HA 0.547 5.097 4.550 -0.000 0.000 0.342 272 Y C -0.824 175.116 175.900 0.066 0.000 0.979 272 Y CA -1.995 56.174 58.100 0.115 0.000 1.161 272 Y CB 0.723 39.240 38.460 0.096 0.000 1.155 272 Y HN -0.043 nan 8.280 nan 0.000 0.503 273 L N 7.427 128.282 121.223 -0.612 0.000 2.260 273 L HA 0.378 4.718 4.340 -0.000 0.000 0.289 273 L C -0.055 176.261 176.870 -0.922 0.000 1.057 273 L CA -0.313 54.169 54.840 -0.596 0.000 0.811 273 L CB 0.331 42.243 42.059 -0.245 0.000 1.184 273 L HN 0.748 nan 8.230 nan 0.000 0.429 274 K N 4.278 124.215 120.400 -0.771 0.000 2.286 274 K HA 0.159 4.479 4.320 -0.000 0.000 0.256 274 K C -0.304 176.213 176.600 -0.138 0.000 0.999 274 K CA -0.146 55.909 56.287 -0.387 0.000 0.908 274 K CB 0.455 32.877 32.500 -0.130 0.000 0.981 274 K HN 0.939 nan 8.250 nan 0.000 0.500 275 N N 1.126 119.829 118.700 0.005 0.000 2.629 275 N HA 0.100 4.840 4.740 -0.000 0.000 0.279 275 N C -1.103 174.423 175.510 0.026 0.000 1.344 275 N CA -0.790 52.269 53.050 0.015 0.000 0.789 275 N CB 0.479 38.993 38.487 0.045 0.000 1.508 275 N HN 0.451 nan 8.380 nan 0.000 0.516 276 N N 0.742 119.453 118.700 0.018 0.000 2.412 276 N HA -0.091 4.649 4.740 -0.000 0.000 0.258 276 N C 0.562 176.087 175.510 0.025 0.000 1.236 276 N CA 0.770 53.831 53.050 0.017 0.000 0.882 276 N CB 0.261 38.755 38.487 0.012 0.000 1.066 276 N HN 0.798 nan 8.380 nan 0.000 0.465 277 K N -0.250 120.164 120.400 0.023 0.000 3.426 277 K HA -0.197 4.123 4.320 -0.000 0.000 0.315 277 K C 0.592 177.213 176.600 0.035 0.000 1.293 277 K CA 1.182 57.484 56.287 0.024 0.000 0.955 277 K CB -1.301 31.210 32.500 0.020 0.000 1.238 277 K HN 0.726 nan 8.250 nan 0.000 0.441 278 G N 0.126 108.955 108.800 0.050 0.000 2.508 278 G HA2 0.278 4.238 3.960 -0.000 0.000 0.278 278 G HA3 0.278 4.238 3.960 -0.000 0.000 0.278 278 G C -0.544 174.401 174.900 0.074 0.000 1.389 278 G CA -0.141 45.004 45.100 0.074 0.000 1.050 278 G HN 0.283 nan 8.290 nan 0.000 0.522 279 D N -0.836 119.622 120.400 0.097 0.000 2.248 279 D HA 0.463 5.103 4.640 -0.000 0.000 0.246 279 D C 1.202 177.579 176.300 0.128 0.000 1.027 279 D CA 0.011 54.058 54.000 0.078 0.000 0.853 279 D CB 1.923 42.745 40.800 0.037 0.000 1.243 279 D HN 0.325 nan 8.370 nan 0.000 0.462 280 A N 2.017 124.895 122.820 0.095 0.000 1.892 280 A HA -0.106 4.214 4.320 -0.000 0.000 0.218 280 A C 1.073 178.752 177.584 0.159 0.000 1.188 280 A CA 1.409 53.513 52.037 0.112 0.000 0.631 280 A CB -0.262 18.776 19.000 0.064 0.000 0.822 280 A HN 0.522 nan 8.150 nan 0.000 0.447 281 T N -0.556 114.051 114.554 0.088 0.000 2.912 281 T HA 0.570 4.920 4.350 -0.000 0.000 0.288 281 T C -0.330 174.334 174.700 -0.060 0.000 1.030 281 T CA -0.552 61.577 62.100 0.048 0.000 1.020 281 T CB 1.471 70.354 68.868 0.024 0.000 1.056 281 T HN 0.226 nan 8.240 nan 0.000 0.480 282 L N 2.543 123.661 121.223 -0.176 0.000 2.380 282 L HA 0.324 4.664 4.340 -0.000 0.000 0.273 282 L C 1.288 178.076 176.870 -0.138 0.000 1.138 282 L CA 0.024 54.700 54.840 -0.274 0.000 0.832 282 L CB 0.772 42.597 42.059 -0.389 0.000 1.124 282 L HN 0.700 nan 8.230 nan 0.000 0.454 283 K N 2.604 122.934 120.400 -0.116 0.000 2.387 283 K HA 0.287 4.607 4.320 -0.000 0.000 0.197 283 K C 0.189 176.747 176.600 -0.071 0.000 1.127 283 K CA -0.128 56.114 56.287 -0.075 0.000 0.950 283 K CB 0.627 33.094 32.500 -0.054 0.000 1.017 283 K HN 0.360 nan 8.250 nan 0.000 0.519 284 I N 5.172 125.696 120.570 -0.076 0.000 2.533 284 I HA 0.063 4.233 4.170 -0.000 0.000 0.284 284 I C -2.065 174.008 176.117 -0.073 0.000 1.109 284 I CA -2.397 58.865 61.300 -0.064 0.000 1.412 284 I CB 0.198 38.168 38.000 -0.051 0.000 1.396 284 I HN -0.002 nan 8.210 nan 0.000 0.543 285 P HA -0.006 nan 4.420 nan 0.000 0.266 285 P C -0.342 176.884 177.300 -0.124 0.000 1.193 285 P CA -0.083 62.962 63.100 -0.092 0.000 0.770 285 P CB 0.487 32.132 31.700 -0.092 0.000 0.836 286 S N 1.048 116.659 115.700 -0.148 0.000 2.060 286 S HA 0.399 4.869 4.470 -0.000 0.000 0.156 286 S C -0.403 173.977 174.600 -0.366 0.000 1.690 286 S CA -0.684 57.382 58.200 -0.224 0.000 1.238 286 S CB -0.392 62.785 63.200 -0.039 0.000 1.150 286 S HN 0.177 nan 8.310 nan 0.000 0.437 287 V N 3.802 123.432 119.914 -0.473 0.000 2.409 287 V HA 0.451 4.571 4.120 -0.000 0.000 0.291 287 V C -0.612 175.176 176.094 -0.510 0.000 1.020 287 V CA -0.569 61.524 62.300 -0.345 0.000 0.848 287 V CB 1.092 32.834 31.823 -0.135 0.000 0.990 287 V HN 0.739 nan 8.190 nan 0.000 0.430 288 H N 5.862 124.940 119.070 0.013 0.000 2.697 288 H HA 0.337 4.893 4.556 -0.000 0.000 0.270 288 H C -0.583 174.703 175.328 -0.070 0.000 1.188 288 H CA -0.308 55.708 56.048 -0.054 0.000 1.322 288 H CB 0.813 30.533 29.762 -0.069 0.000 1.405 288 H HN 0.642 nan 8.280 nan 0.000 0.502 289 F N 0.223 120.168 119.950 -0.009 0.000 2.422 289 F HA 0.719 5.246 4.527 -0.000 0.000 0.333 289 F C 0.445 176.173 175.800 -0.120 0.000 1.095 289 F CA -1.193 56.759 58.000 -0.080 0.000 1.038 289 F CB 1.092 39.991 39.000 -0.168 0.000 1.156 289 F HN 0.289 nan 8.300 nan 0.000 0.483 290 G N 1.091 109.754 108.800 -0.228 0.000 2.451 290 G HA2 0.459 4.419 3.960 -0.000 0.000 0.303 290 G HA3 0.459 4.419 3.960 -0.000 0.000 0.303 290 G C -0.987 173.752 174.900 -0.268 0.000 1.166 290 G CA -0.676 44.188 45.100 -0.393 0.000 0.884 290 G HN 1.014 nan 8.290 nan 0.000 0.514 291 S N 1.543 116.924 115.700 -0.533 0.000 2.499 291 S HA 0.552 5.022 4.470 -0.000 0.000 0.279 291 S C -2.316 172.178 174.600 -0.176 0.000 1.219 291 S CA -1.275 56.724 58.200 -0.335 0.000 1.062 291 S CB 1.821 64.617 63.200 -0.674 0.000 0.978 291 S HN 0.463 nan 8.310 nan 0.000 0.489 292 P HA 0.198 nan 4.420 nan 0.000 0.271 292 P C -0.623 176.590 177.300 -0.145 0.000 1.216 292 P CA -0.193 62.877 63.100 -0.050 0.000 0.771 292 P CB 1.040 32.754 31.700 0.023 0.000 0.864 293 S N 1.889 117.439 115.700 -0.251 0.000 2.502 293 S HA 0.638 5.108 4.470 -0.000 0.000 0.304 293 S C -0.012 174.601 174.600 0.023 0.000 1.097 293 S CA -0.674 57.356 58.200 -0.284 0.000 1.045 293 S CB 0.512 63.099 63.200 -1.022 0.000 1.019 293 S HN 0.533 nan 8.310 nan 0.000 0.481 294 G N 2.491 111.349 108.800 0.096 0.000 2.353 294 G HA2 0.434 4.394 3.960 -0.000 0.000 0.284 294 G HA3 0.434 4.394 3.960 -0.000 0.000 0.284 294 G C 0.034 175.060 174.900 0.210 0.000 1.172 294 G CA -0.378 44.807 45.100 0.142 0.000 0.854 294 G HN 0.724 nan 8.290 nan 0.000 0.485 295 S N 0.825 116.632 115.700 0.179 0.000 2.593 295 S HA 0.300 4.770 4.470 -0.000 0.000 0.269 295 S C 0.718 175.358 174.600 0.068 0.000 1.334 295 S CA -0.825 57.435 58.200 0.101 0.000 1.015 295 S CB 0.050 63.273 63.200 0.039 0.000 0.912 295 S HN 0.854 nan 8.310 nan 0.000 0.541 296 L N 3.443 124.687 121.223 0.034 0.000 2.490 296 L HA 0.524 4.864 4.340 -0.000 0.000 0.274 296 L C 0.166 177.056 176.870 0.033 0.000 1.201 296 L CA -0.019 54.840 54.840 0.033 0.000 0.869 296 L CB -0.534 41.534 42.059 0.014 0.000 1.123 296 L HN 0.313 nan 8.230 nan 0.000 0.484 297 V N 3.497 123.435 119.914 0.039 0.000 2.612 297 V HA 0.843 4.963 4.120 -0.000 0.000 0.301 297 V C 0.374 176.489 176.094 0.036 0.000 1.046 297 V CA 0.449 62.775 62.300 0.043 0.000 0.946 297 V CB 1.783 33.636 31.823 0.051 0.000 1.003 297 V HN 1.342 nan 8.190 nan 0.000 0.459 298 S N 2.709 118.431 115.700 0.037 0.000 2.751 298 S HA 0.435 4.905 4.470 -0.000 0.000 0.310 298 S C 0.776 175.398 174.600 0.037 0.000 1.128 298 S CA 0.106 58.324 58.200 0.031 0.000 0.931 298 S CB 1.530 64.744 63.200 0.024 0.000 1.177 298 S HN 0.952 nan 8.310 nan 0.000 0.530 299 T N -1.279 113.292 114.554 0.029 0.000 3.088 299 T HA 0.033 4.383 4.350 -0.000 0.000 0.259 299 T C 0.955 175.674 174.700 0.031 0.000 1.122 299 T CA 1.008 63.126 62.100 0.030 0.000 1.095 299 T CB -0.556 68.324 68.868 0.020 0.000 0.930 299 T HN 0.801 nan 8.240 nan 0.000 0.508 300 D N 0.292 120.708 120.400 0.028 0.000 2.431 300 D HA 0.003 4.643 4.640 -0.000 0.000 0.227 300 D C 1.741 178.058 176.300 0.029 0.000 1.030 300 D CA -0.078 53.936 54.000 0.024 0.000 0.897 300 D CB -0.463 40.346 40.800 0.015 0.000 1.058 300 D HN 0.156 nan 8.370 nan 0.000 0.500 301 N N 1.311 120.032 118.700 0.035 0.000 2.188 301 N HA -0.090 4.650 4.740 -0.000 0.000 0.184 301 N C 0.588 176.130 175.510 0.054 0.000 1.018 301 N CA 0.438 53.511 53.050 0.038 0.000 0.858 301 N CB 0.097 38.608 38.487 0.040 0.000 0.989 301 N HN 0.526 nan 8.380 nan 0.000 0.426 302 Q N 1.617 121.467 119.800 0.083 0.000 2.300 302 Q HA 0.044 4.384 4.340 -0.000 0.000 0.280 302 Q C 0.335 176.389 176.000 0.089 0.000 1.033 302 Q CA 0.123 56.013 55.803 0.145 0.000 0.903 302 Q CB 0.051 28.917 28.738 0.214 0.000 1.195 302 Q HN 0.332 nan 8.270 nan 0.000 0.386 303 I N 0.332 120.870 120.570 -0.053 0.000 2.206 303 I HA 0.450 4.620 4.170 -0.000 0.000 0.292 303 I C -1.331 174.330 176.117 -0.759 0.000 1.156 303 I CA -0.366 60.759 61.300 -0.291 0.000 1.356 303 I CB -0.686 37.135 38.000 -0.298 0.000 1.494 303 I HN 0.465 nan 8.210 nan 0.000 0.601 304 F N 2.195 122.175 119.950 0.051 0.000 2.741 304 F HA 0.349 4.876 4.527 -0.000 0.000 0.313 304 F C 0.705 176.471 175.800 -0.056 0.000 1.153 304 F CA -1.001 57.009 58.000 0.016 0.000 0.931 304 F CB 1.210 40.235 39.000 0.041 0.000 1.335 304 F HN 0.434 nan 8.300 nan 0.000 0.460 305 N N -0.700 118.094 118.700 0.157 0.000 2.863 305 N HA -0.235 4.505 4.740 -0.000 0.000 0.245 305 N C -0.670 174.780 175.510 -0.099 0.000 1.001 305 N CA 0.556 53.618 53.050 0.021 0.000 0.901 305 N CB -0.891 37.620 38.487 0.039 0.000 1.124 305 N HN 0.439 nan 8.380 nan 0.000 0.582 306 R N 1.423 121.791 120.500 -0.220 0.000 2.247 306 R HA 0.288 4.628 4.340 -0.000 0.000 0.329 306 R C -2.511 173.361 176.300 -0.714 0.000 1.014 306 R CA -1.629 54.230 56.100 -0.402 0.000 0.907 306 R CB 0.723 30.766 30.300 -0.429 0.000 1.146 306 R HN 0.055 nan 8.270 nan 0.000 0.499 307 P HA -0.150 nan 4.420 nan 0.000 0.261 307 P C -1.043 175.575 177.300 -1.137 0.000 1.183 307 P CA 0.570 63.172 63.100 -0.830 0.000 0.761 307 P CB 0.393 31.632 31.700 -0.769 0.000 0.785 308 Y N 2.165 122.033 120.300 -0.720 0.000 2.385 308 Y HA 0.231 4.781 4.550 -0.000 0.000 0.341 308 Y C 0.403 175.901 175.900 -0.671 0.000 0.965 308 Y CA -0.708 57.032 58.100 -0.601 0.000 1.180 308 Y CB 0.684 38.890 38.460 -0.424 0.000 1.139 308 Y HN 0.376 nan 8.280 nan 0.000 0.502 309 W N 6.093 127.421 121.300 0.047 0.000 2.358 309 W HA 0.360 5.020 4.660 -0.000 0.000 0.307 309 W C -0.653 175.821 176.519 -0.075 0.000 1.203 309 W CA -0.850 56.488 57.345 -0.011 0.000 1.279 309 W CB 0.632 30.226 29.460 0.223 0.000 1.264 309 W HN 0.294 nan 8.180 nan 0.000 0.474 310 L N 5.024 126.214 121.223 -0.056 0.000 2.268 310 L HA 0.310 4.650 4.340 -0.000 0.000 0.289 310 L C -0.314 176.451 176.870 -0.175 0.000 1.064 310 L CA 0.191 54.944 54.840 -0.146 0.000 0.824 310 L CB -0.108 41.820 42.059 -0.219 0.000 1.202 310 L HN 0.476 nan 8.230 nan 0.000 0.433 311 F N 3.392 123.349 119.950 0.012 0.000 2.622 311 F HA 0.371 4.898 4.527 -0.000 0.000 0.288 311 F C 0.722 176.518 175.800 -0.006 0.000 1.120 311 F CA -0.051 57.957 58.000 0.013 0.000 1.423 311 F CB 0.255 39.263 39.000 0.012 0.000 1.127 311 F HN 0.301 nan 8.300 nan 0.000 0.588 312 R N -0.009 120.581 120.500 0.150 0.000 2.515 312 R HA 0.574 4.914 4.340 -0.000 0.000 0.278 312 R C -0.489 175.856 176.300 0.074 0.000 1.107 312 R CA -0.535 55.614 56.100 0.082 0.000 0.945 312 R CB 1.168 31.519 30.300 0.085 0.000 1.219 312 R HN 0.020 nan 8.270 nan 0.000 0.434 313 A N 1.849 124.702 122.820 0.055 0.000 2.251 313 A HA 0.190 4.510 4.320 -0.000 0.000 0.278 313 A C 0.771 178.427 177.584 0.119 0.000 1.206 313 A CA -0.151 51.954 52.037 0.113 0.000 0.822 313 A CB 0.351 19.411 19.000 0.100 0.000 1.187 313 A HN 0.723 nan 8.150 nan 0.000 0.504 314 Q N -0.809 119.086 119.800 0.159 0.000 2.204 314 Q HA 0.443 4.783 4.340 -0.000 0.000 0.209 314 Q C 0.336 176.411 176.000 0.125 0.000 0.861 314 Q CA 0.198 56.082 55.803 0.135 0.000 0.971 314 Q CB 0.134 28.967 28.738 0.159 0.000 1.095 314 Q HN 0.780 nan 8.270 nan 0.000 0.486 315 G N 0.125 108.998 108.800 0.123 0.000 2.788 315 G HA2 0.429 4.389 3.960 -0.000 0.000 0.293 315 G HA3 0.429 4.389 3.960 -0.000 0.000 0.293 315 G C -0.487 174.474 174.900 0.102 0.000 1.392 315 G CA -0.908 44.266 45.100 0.123 0.000 0.810 315 G HN 0.065 nan 8.290 nan 0.000 0.508 316 M N 0.681 120.349 119.600 0.113 0.000 2.628 316 M HA 0.215 4.695 4.480 -0.000 0.000 0.232 316 M C 0.809 177.162 176.300 0.087 0.000 1.128 316 M CA -0.073 55.282 55.300 0.092 0.000 1.040 316 M CB -0.395 32.276 32.600 0.118 0.000 1.608 316 M HN 0.523 nan 8.290 nan 0.000 0.507 317 N N 1.259 120.020 118.700 0.102 0.000 2.800 317 N HA 0.122 4.862 4.740 -0.000 0.000 0.240 317 N C -0.701 174.762 175.510 -0.078 0.000 1.096 317 N CA -0.175 52.906 53.050 0.051 0.000 0.877 317 N CB 0.336 38.919 38.487 0.161 0.000 1.138 317 N HN 0.389 nan 8.380 nan 0.000 0.509 318 N N 2.547 121.167 118.700 -0.133 0.000 3.027 318 N HA 0.100 4.840 4.740 -0.000 0.000 0.309 318 N C 0.446 175.728 175.510 -0.380 0.000 1.222 318 N CA -0.216 52.723 53.050 -0.186 0.000 1.187 318 N CB 0.099 38.515 38.487 -0.118 0.000 1.458 318 N HN 0.565 nan 8.380 nan 0.000 0.535 319 G N 1.239 109.588 108.800 -0.753 0.000 2.289 319 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.280 319 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.280 319 G C -0.292 174.144 174.900 -0.773 0.000 1.089 319 G CA -0.521 43.840 45.100 -1.231 0.000 0.939 319 G HN 0.498 nan 8.290 nan 0.000 0.499 320 I N 0.856 121.020 120.570 -0.676 0.000 2.312 320 I HA 0.519 4.689 4.170 -0.000 0.000 0.290 320 I C 1.052 176.926 176.117 -0.405 0.000 1.008 320 I CA -1.061 59.872 61.300 -0.612 0.000 1.226 320 I CB 1.032 38.393 38.000 -1.066 0.000 1.371 320 I HN 0.450 nan 8.210 nan 0.000 0.468 321 A N 7.850 130.591 122.820 -0.131 0.000 2.981 321 A HA 0.112 4.432 4.320 -0.000 0.000 0.280 321 A C -0.117 177.569 177.584 0.169 0.000 1.743 321 A CA -0.452 51.654 52.037 0.115 0.000 1.430 321 A CB -0.792 18.325 19.000 0.194 0.000 1.085 321 A HN 0.721 nan 8.150 nan 0.000 0.597 322 W N 1.365 122.772 121.300 0.180 0.000 2.210 322 W HA 0.186 4.846 4.660 -0.000 0.000 0.330 322 W C 1.226 177.763 176.519 0.031 0.000 1.334 322 W CA 0.061 57.472 57.345 0.110 0.000 1.227 322 W CB 0.352 29.892 29.460 0.133 0.000 1.178 322 W HN 0.847 nan 8.180 nan 0.000 0.560 323 N N 2.103 120.914 118.700 0.185 0.000 2.850 323 N HA -0.305 4.435 4.740 -0.000 0.000 0.249 323 N C -0.412 175.125 175.510 0.044 0.000 1.060 323 N CA 1.367 54.428 53.050 0.019 0.000 0.825 323 N CB -1.989 36.549 38.487 0.085 0.000 1.132 323 N HN 0.749 nan 8.380 nan 0.000 0.564 324 N N -1.204 117.546 118.700 0.083 0.000 2.686 324 N HA -0.239 4.501 4.740 -0.000 0.000 0.261 324 N C -1.221 174.347 175.510 0.097 0.000 1.001 324 N CA 0.994 54.115 53.050 0.118 0.000 0.764 324 N CB -0.520 38.011 38.487 0.073 0.000 0.898 324 N HN 0.349 nan 8.380 nan 0.000 0.544 325 L N 0.681 121.972 121.223 0.112 0.000 2.506 325 L HA 0.642 4.982 4.340 -0.000 0.000 0.257 325 L C -1.305 175.613 176.870 0.081 0.000 0.964 325 L CA -0.547 54.329 54.840 0.059 0.000 0.836 325 L CB 2.092 44.206 42.059 0.091 0.000 1.384 325 L HN 0.098 nan 8.230 nan 0.000 0.410 326 L N 2.657 123.849 121.223 -0.052 0.000 2.371 326 L HA 0.581 4.921 4.340 -0.000 0.000 0.262 326 L C -1.568 175.197 176.870 -0.175 0.000 1.006 326 L CA -0.550 54.271 54.840 -0.032 0.000 0.818 326 L CB 2.439 44.420 42.059 -0.129 0.000 1.354 326 L HN 0.419 nan 8.230 nan 0.000 0.415 327 F N 2.649 122.489 119.950 -0.183 0.000 2.499 327 F HA 0.440 4.967 4.527 -0.000 0.000 0.333 327 F C -0.569 175.129 175.800 -0.170 0.000 1.138 327 F CA -0.460 57.405 58.000 -0.225 0.000 0.945 327 F CB 1.843 40.649 39.000 -0.324 0.000 1.181 327 F HN 0.075 nan 8.300 nan 0.000 0.435 328 L N 3.930 125.152 121.223 -0.003 0.000 2.294 328 L HA 0.552 4.892 4.340 -0.000 0.000 0.283 328 L C -0.326 176.495 176.870 -0.081 0.000 1.015 328 L CA -0.115 54.758 54.840 0.056 0.000 0.831 328 L CB 1.200 43.419 42.059 0.267 0.000 1.217 328 L HN 0.496 nan 8.230 nan 0.000 0.420 329 T N 4.607 119.104 114.554 -0.095 0.000 2.853 329 T HA 0.533 4.883 4.350 -0.000 0.000 0.317 329 T C -0.403 174.265 174.700 -0.054 0.000 1.059 329 T CA -0.335 61.685 62.100 -0.133 0.000 0.954 329 T CB 0.600 69.381 68.868 -0.145 0.000 0.994 329 T HN 0.253 nan 8.240 nan 0.000 0.479 330 V N 2.741 122.598 119.914 -0.095 0.000 2.444 330 V HA 0.851 4.971 4.120 -0.000 0.000 0.294 330 V C 0.413 176.520 176.094 0.023 0.000 1.022 330 V CA -0.671 61.658 62.300 0.049 0.000 0.850 330 V CB 1.848 33.761 31.823 0.149 0.000 0.992 330 V HN 0.958 nan 8.190 nan 0.000 0.426 331 G N 3.689 112.549 108.800 0.100 0.000 2.701 331 G HA2 0.775 4.735 3.960 -0.000 0.000 0.300 331 G HA3 0.775 4.735 3.960 -0.000 0.000 0.300 331 G C -1.738 173.201 174.900 0.066 0.000 1.410 331 G CA -0.415 44.674 45.100 -0.017 0.000 1.014 331 G HN 0.738 nan 8.290 nan 0.000 0.509 332 D N 0.907 121.335 120.400 0.046 0.000 2.836 332 D HA 0.071 4.711 4.640 -0.000 0.000 0.215 332 D C -0.471 175.840 176.300 0.020 0.000 1.255 332 D CA -0.733 53.318 54.000 0.084 0.000 0.822 332 D CB 1.495 42.433 40.800 0.230 0.000 1.656 332 D HN 0.369 nan 8.370 nan 0.000 0.511 333 N N 0.817 119.523 118.700 0.010 0.000 2.270 333 N HA -0.015 4.725 4.740 -0.000 0.000 0.198 333 N C 0.788 176.309 175.510 0.019 0.000 1.117 333 N CA -0.030 53.013 53.050 -0.011 0.000 0.845 333 N CB 0.224 38.690 38.487 -0.035 0.000 0.980 333 N HN 0.304 nan 8.380 nan 0.000 0.486 334 T N 1.041 115.623 114.554 0.046 0.000 2.668 334 T HA -0.024 4.326 4.350 -0.000 0.000 0.262 334 T C 1.747 176.466 174.700 0.032 0.000 1.045 334 T CA 0.959 63.091 62.100 0.055 0.000 1.152 334 T CB 0.090 69.016 68.868 0.096 0.000 0.864 334 T HN 0.132 nan 8.240 nan 0.000 0.419 335 R N 1.246 121.747 120.500 0.002 0.000 2.083 335 R HA 0.034 4.374 4.340 -0.000 0.000 0.237 335 R C 1.710 178.017 176.300 0.011 0.000 1.137 335 R CA 0.596 56.680 56.100 -0.026 0.000 0.951 335 R CB -1.463 28.772 30.300 -0.109 0.000 0.851 335 R HN 0.445 nan 8.270 nan 0.000 0.434 336 G N 0.746 109.586 108.800 0.067 0.000 2.305 336 G HA2 0.151 4.111 3.960 -0.000 0.000 0.243 336 G HA3 0.151 4.111 3.960 -0.000 0.000 0.243 336 G C -0.680 174.353 174.900 0.221 0.000 1.288 336 G CA 0.274 45.513 45.100 0.232 0.000 0.901 336 G HN 0.121 nan 8.290 nan 0.000 0.516 337 T N 2.288 117.024 114.554 0.303 0.000 2.993 337 T HA 0.247 4.597 4.350 -0.000 0.000 0.312 337 T C 0.048 174.912 174.700 0.273 0.000 1.115 337 T CA -0.659 61.552 62.100 0.186 0.000 1.027 337 T CB 1.134 70.055 68.868 0.088 0.000 1.116 337 T HN 0.638 nan 8.240 nan 0.000 0.464 338 N N 1.245 120.104 118.700 0.265 0.000 2.467 338 N HA 0.489 5.229 4.740 -0.000 0.000 0.262 338 N C -1.038 174.604 175.510 0.220 0.000 1.234 338 N CA -0.744 52.492 53.050 0.311 0.000 0.952 338 N CB 0.669 39.323 38.487 0.278 0.000 1.158 338 N HN 0.191 nan 8.380 nan 0.000 0.463 339 L N 1.319 122.679 121.223 0.229 0.000 2.349 339 L HA 0.336 4.676 4.340 -0.000 0.000 0.278 339 L C -0.057 176.944 176.870 0.219 0.000 0.996 339 L CA -0.396 54.544 54.840 0.167 0.000 0.825 339 L CB 1.052 43.168 42.059 0.095 0.000 1.243 339 L HN 0.657 nan 8.230 nan 0.000 0.412 340 T N 3.083 117.721 114.554 0.140 0.000 2.902 340 T HA 0.829 5.179 4.350 -0.000 0.000 0.280 340 T C 0.146 174.913 174.700 0.111 0.000 0.992 340 T CA -0.575 61.583 62.100 0.095 0.000 1.015 340 T CB 1.280 70.167 68.868 0.032 0.000 1.044 340 T HN 0.489 nan 8.240 nan 0.000 0.520 341 I N 0.312 120.956 120.570 0.123 0.000 3.181 341 I HA 0.532 4.702 4.170 -0.000 0.000 0.311 341 I C -0.947 175.229 176.117 0.098 0.000 1.287 341 I CA -1.192 60.185 61.300 0.128 0.000 0.958 341 I CB 2.736 40.857 38.000 0.201 0.000 1.294 341 I HN 0.928 nan 8.210 nan 0.000 0.467 342 S N 1.850 117.594 115.700 0.074 0.000 2.536 342 S HA 0.612 5.082 4.470 -0.000 0.000 0.246 342 S C -1.139 173.485 174.600 0.039 0.000 1.077 342 S CA -0.668 57.571 58.200 0.064 0.000 1.091 342 S CB 0.826 64.091 63.200 0.108 0.000 1.148 342 S HN 0.301 nan 8.310 nan 0.000 0.447 343 V N 2.261 122.158 119.914 -0.028 0.000 2.532 343 V HA 0.857 4.977 4.120 -0.000 0.000 0.295 343 V C 0.960 177.056 176.094 0.004 0.000 1.041 343 V CA -0.648 61.648 62.300 -0.006 0.000 0.926 343 V CB 1.373 33.187 31.823 -0.014 0.000 0.992 343 V HN 1.139 nan 8.190 nan 0.000 0.457 344 A N 2.625 125.462 122.820 0.029 0.000 2.440 344 A HA 0.387 4.707 4.320 -0.000 0.000 0.251 344 A C 1.343 178.932 177.584 0.007 0.000 1.089 344 A CA 0.327 52.387 52.037 0.037 0.000 0.779 344 A CB 0.276 19.297 19.000 0.036 0.000 1.022 344 A HN 1.304 nan 8.150 nan 0.000 0.492 345 S N 0.562 116.258 115.700 -0.006 0.000 2.595 345 S HA -0.045 4.425 4.470 -0.000 0.000 0.235 345 S C 0.202 174.798 174.600 -0.007 0.000 0.974 345 S CA 1.440 59.626 58.200 -0.024 0.000 0.942 345 S CB -0.123 63.048 63.200 -0.047 0.000 0.766 345 S HN 0.689 nan 8.310 nan 0.000 0.536 346 D N -0.278 120.125 120.400 0.004 0.000 2.502 346 D HA 0.329 4.969 4.640 -0.000 0.000 0.232 346 D C 1.385 177.694 176.300 0.014 0.000 1.137 346 D CA 0.776 54.781 54.000 0.007 0.000 0.827 346 D CB 0.720 41.523 40.800 0.005 0.000 1.141 346 D HN 0.441 nan 8.370 nan 0.000 0.517 347 G N 0.123 108.934 108.800 0.018 0.000 2.194 347 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.236 347 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.236 347 G C 0.457 175.369 174.900 0.020 0.000 0.987 347 G CA 0.365 45.477 45.100 0.022 0.000 0.635 347 G HN 0.270 nan 8.290 nan 0.000 0.520 348 T N 3.565 118.130 114.554 0.018 0.000 2.807 348 T HA 0.607 4.957 4.350 -0.000 0.000 0.279 348 T C -2.200 172.512 174.700 0.019 0.000 0.993 348 T CA -0.740 61.370 62.100 0.017 0.000 0.970 348 T CB 2.585 71.461 68.868 0.014 0.000 0.950 348 T HN 0.220 nan 8.240 nan 0.000 0.441 349 P HA 0.044 nan 4.420 nan 0.000 0.263 349 P C -0.477 176.836 177.300 0.022 0.000 1.175 349 P CA -0.134 62.977 63.100 0.019 0.000 0.761 349 P CB 0.459 32.167 31.700 0.014 0.000 0.794 350 L N 2.832 124.072 121.223 0.029 0.000 2.462 350 L HA 0.049 4.389 4.340 -0.000 0.000 0.272 350 L C 1.802 178.693 176.870 0.035 0.000 1.166 350 L CA -0.047 54.814 54.840 0.036 0.000 0.880 350 L CB -0.367 41.725 42.059 0.055 0.000 1.142 350 L HN 0.391 nan 8.230 nan 0.000 0.473 351 T N 0.857 115.429 114.554 0.030 0.000 3.014 351 T HA -0.033 4.317 4.350 -0.000 0.000 0.263 351 T C 0.616 175.340 174.700 0.040 0.000 1.078 351 T CA 0.913 63.030 62.100 0.028 0.000 1.135 351 T CB 0.070 68.950 68.868 0.021 0.000 0.895 351 T HN 0.609 nan 8.240 nan 0.000 0.480 352 E N -0.522 119.708 120.200 0.050 0.000 2.359 352 E HA 0.404 4.754 4.350 -0.000 0.000 0.266 352 E C -1.804 174.863 176.600 0.112 0.000 0.920 352 E CA -0.996 55.447 56.400 0.073 0.000 0.788 352 E CB 1.297 31.027 29.700 0.050 0.000 1.279 352 E HN 0.164 nan 8.360 nan 0.000 0.438 353 Y N 2.534 122.846 120.300 0.020 0.000 2.454 353 Y HA 0.282 4.832 4.550 -0.000 0.000 0.345 353 Y C -1.088 174.863 175.900 0.086 0.000 0.970 353 Y CA -0.294 57.828 58.100 0.038 0.000 1.204 353 Y CB 0.439 38.903 38.460 0.007 0.000 1.122 353 Y HN 0.375 nan 8.280 nan 0.000 0.514 354 D N 2.424 122.560 120.400 -0.440 0.000 2.299 354 D HA 0.189 4.829 4.640 -0.000 0.000 0.243 354 D C 0.476 176.510 176.300 -0.443 0.000 0.982 354 D CA -0.214 53.573 54.000 -0.354 0.000 0.924 354 D CB 2.185 42.894 40.800 -0.152 0.000 1.238 354 D HN 0.606 nan 8.370 nan 0.000 0.484 355 S N -0.849 114.664 115.700 -0.311 0.000 2.527 355 S HA -0.088 4.382 4.470 -0.000 0.000 0.222 355 S C 1.594 175.957 174.600 -0.395 0.000 0.985 355 S CA 0.266 58.286 58.200 -0.300 0.000 0.921 355 S CB -0.018 63.088 63.200 -0.157 0.000 0.772 355 S HN 0.470 nan 8.310 nan 0.000 0.529 356 S N 1.282 116.816 115.700 -0.277 0.000 2.497 356 S HA 0.221 4.691 4.470 -0.000 0.000 0.221 356 S C 1.657 176.127 174.600 -0.218 0.000 1.037 356 S CA -0.369 57.687 58.200 -0.240 0.000 0.920 356 S CB -0.090 63.023 63.200 -0.145 0.000 0.800 356 S HN 0.140 nan 8.310 nan 0.000 0.505 357 K N 2.005 122.319 120.400 -0.144 0.000 2.057 357 K HA 0.074 4.394 4.320 -0.000 0.000 0.207 357 K C 0.598 177.206 176.600 0.014 0.000 1.049 357 K CA 0.658 56.922 56.287 -0.038 0.000 0.931 357 K CB -0.692 31.826 32.500 0.030 0.000 0.714 357 K HN 0.742 nan 8.250 nan 0.000 0.440 358 F N 1.361 121.241 119.950 -0.116 0.000 2.411 358 F HA 0.368 4.895 4.527 -0.000 0.000 0.355 358 F C -0.469 175.250 175.800 -0.136 0.000 1.117 358 F CA -1.202 56.736 58.000 -0.102 0.000 1.139 358 F CB 0.153 39.121 39.000 -0.052 0.000 1.120 358 F HN -0.188 nan 8.300 nan 0.000 0.493 359 N N 3.298 121.903 118.700 -0.158 0.000 2.419 359 N HA 0.356 5.096 4.740 -0.000 0.000 0.264 359 N C -1.123 174.174 175.510 -0.354 0.000 1.031 359 N CA -0.847 52.004 53.050 -0.331 0.000 0.951 359 N CB 1.979 40.194 38.487 -0.452 0.000 1.101 359 N HN 0.453 nan 8.380 nan 0.000 0.488 360 V N 3.594 123.370 119.914 -0.231 0.000 2.455 360 V HA 0.107 4.227 4.120 -0.000 0.000 0.273 360 V C -0.200 175.889 176.094 -0.009 0.000 1.045 360 V CA 0.039 62.289 62.300 -0.083 0.000 0.976 360 V CB -0.547 31.268 31.823 -0.013 0.000 0.993 360 V HN 0.608 nan 8.190 nan 0.000 0.475 361 Y N 3.276 123.620 120.300 0.072 0.000 2.568 361 Y HA 0.538 5.088 4.550 -0.000 0.000 0.327 361 Y C 0.242 176.253 175.900 0.186 0.000 1.163 361 Y CA -1.059 57.108 58.100 0.112 0.000 1.219 361 Y CB 2.038 40.558 38.460 0.100 0.000 1.308 361 Y HN 0.554 nan 8.280 nan 0.000 0.503 362 H N 1.962 121.223 119.070 0.319 0.000 3.108 362 H HA 0.391 4.947 4.556 -0.000 0.000 0.329 362 H C -1.232 174.217 175.328 0.201 0.000 0.978 362 H CA -1.040 55.165 56.048 0.262 0.000 1.413 362 H CB 0.616 30.580 29.762 0.338 0.000 1.670 362 H HN 0.472 nan 8.280 nan 0.000 0.512 363 R N 2.601 123.281 120.500 0.300 0.000 2.686 363 R HA 0.266 4.606 4.340 -0.000 0.000 0.283 363 R C -1.380 175.007 176.300 0.145 0.000 0.978 363 R CA -0.896 55.296 56.100 0.155 0.000 0.897 363 R CB 1.704 32.070 30.300 0.110 0.000 1.192 363 R HN 0.686 nan 8.270 nan 0.000 0.457 364 H N 1.402 120.461 119.070 -0.019 0.000 2.637 364 H HA 0.670 5.226 4.556 -0.000 0.000 0.363 364 H C -1.062 174.255 175.328 -0.018 0.000 1.131 364 H CA -0.563 55.464 56.048 -0.035 0.000 1.183 364 H CB 1.415 31.113 29.762 -0.108 0.000 1.637 364 H HN 0.448 nan 8.280 nan 0.000 0.531 365 M N 3.344 122.662 119.600 -0.469 0.000 2.326 365 M HA 0.380 4.860 4.480 -0.000 0.000 0.292 365 M C -1.283 174.867 176.300 -0.250 0.000 1.081 365 M CA -0.784 54.392 55.300 -0.208 0.000 0.919 365 M CB 2.564 35.092 32.600 -0.120 0.000 1.634 365 M HN 0.418 nan 8.290 nan 0.000 0.451 366 E N 2.238 122.414 120.200 -0.039 0.000 2.199 366 E HA 0.468 4.818 4.350 -0.000 0.000 0.269 366 E C -1.423 175.139 176.600 -0.064 0.000 0.899 366 E CA -0.505 55.862 56.400 -0.055 0.000 0.772 366 E CB 2.929 32.704 29.700 0.124 0.000 1.155 366 E HN 0.710 nan 8.360 nan 0.000 0.408 367 E N 2.643 122.663 120.200 -0.300 0.000 2.256 367 E HA 0.426 4.776 4.350 -0.000 0.000 0.268 367 E C -1.377 174.904 176.600 -0.531 0.000 0.877 367 E CA -0.431 55.826 56.400 -0.238 0.000 0.757 367 E CB 1.039 30.662 29.700 -0.128 0.000 1.183 367 E HN 0.341 nan 8.360 nan 0.000 0.418 368 Y N 1.924 122.199 120.300 -0.042 0.000 2.659 368 Y HA 0.574 5.124 4.550 -0.000 0.000 0.333 368 Y C -0.132 175.672 175.900 -0.160 0.000 1.064 368 Y CA -0.973 57.062 58.100 -0.109 0.000 1.141 368 Y CB 1.939 40.336 38.460 -0.105 0.000 1.316 368 Y HN 0.431 nan 8.280 nan 0.000 0.509 369 K N 0.887 121.291 120.400 0.007 0.000 2.546 369 K HA 0.690 5.010 4.320 -0.000 0.000 0.264 369 K C -2.374 174.157 176.600 -0.115 0.000 0.937 369 K CA -0.537 55.705 56.287 -0.074 0.000 0.833 369 K CB 1.801 34.279 32.500 -0.036 0.000 1.378 369 K HN 0.699 nan 8.250 nan 0.000 0.432 370 L N 2.160 123.292 121.223 -0.151 0.000 2.410 370 L HA 0.790 5.130 4.340 -0.000 0.000 0.270 370 L C -1.016 175.746 176.870 -0.181 0.000 0.983 370 L CA -0.986 53.748 54.840 -0.177 0.000 0.822 370 L CB 2.145 44.150 42.059 -0.089 0.000 1.285 370 L HN 0.798 nan 8.230 nan 0.000 0.409 371 A N 2.989 125.544 122.820 -0.440 0.000 2.381 371 A HA 0.884 5.204 4.320 -0.000 0.000 0.299 371 A C -1.477 175.677 177.584 -0.716 0.000 1.049 371 A CA -0.293 51.510 52.037 -0.390 0.000 0.715 371 A CB 0.986 19.878 19.000 -0.181 0.000 1.222 371 A HN 0.459 nan 8.150 nan 0.000 0.428 372 F N 1.850 121.603 119.950 -0.327 0.000 2.563 372 F HA 0.606 5.133 4.527 -0.000 0.000 0.316 372 F C 0.108 175.742 175.800 -0.277 0.000 1.076 372 F CA -1.057 56.800 58.000 -0.237 0.000 0.921 372 F CB 1.940 40.812 39.000 -0.213 0.000 1.209 372 F HN 0.277 nan 8.300 nan 0.000 0.462 373 I N 4.693 125.308 120.570 0.076 0.000 2.557 373 I HA 0.275 4.445 4.170 -0.000 0.000 0.277 373 I C -0.519 175.632 176.117 0.057 0.000 1.106 373 I CA -0.236 61.108 61.300 0.072 0.000 1.180 373 I CB 0.146 38.301 38.000 0.258 0.000 1.392 373 I HN 0.419 nan 8.210 nan 0.000 0.506 374 L N 5.109 126.284 121.223 -0.080 0.000 2.421 374 L HA 0.505 4.845 4.340 -0.000 0.000 0.263 374 L C 0.570 177.365 176.870 -0.125 0.000 1.122 374 L CA -0.542 54.196 54.840 -0.170 0.000 0.804 374 L CB 0.773 42.496 42.059 -0.559 0.000 1.150 374 L HN 0.523 nan 8.230 nan 0.000 0.457 375 E N 0.985 121.141 120.200 -0.074 0.000 2.369 375 E HA 0.568 4.918 4.350 -0.000 0.000 0.270 375 E C -1.456 175.243 176.600 0.166 0.000 0.909 375 E CA -1.046 55.258 56.400 -0.160 0.000 0.775 375 E CB 2.170 31.531 29.700 -0.565 0.000 1.270 375 E HN 0.248 nan 8.360 nan 0.000 0.445 376 L N 1.662 122.960 121.223 0.124 0.000 2.371 376 L HA 0.459 4.799 4.340 -0.000 0.000 0.272 376 L C -0.977 175.846 176.870 -0.079 0.000 1.124 376 L CA -0.120 54.738 54.840 0.031 0.000 0.816 376 L CB 0.797 42.868 42.059 0.020 0.000 1.129 376 L HN 0.883 nan 8.230 nan 0.000 0.448 377 C N 1.293 120.510 119.300 -0.137 0.000 2.716 377 C HA 0.668 5.128 4.460 -0.000 0.000 0.366 377 C C -0.209 174.688 174.990 -0.155 0.000 1.073 377 C CA -1.005 57.940 59.018 -0.123 0.000 1.260 377 C CB 0.268 27.940 27.740 -0.112 0.000 1.755 377 C HN 0.859 nan 8.230 nan 0.000 0.475 378 S N 1.960 117.570 115.700 -0.150 0.000 2.452 378 S HA 0.631 5.101 4.470 -0.000 0.000 0.284 378 S C -0.017 174.486 174.600 -0.162 0.000 1.171 378 S CA -0.415 57.646 58.200 -0.230 0.000 1.064 378 S CB 0.901 63.963 63.200 -0.231 0.000 0.967 378 S HN 2.114 nan 8.310 nan 0.000 0.484 379 V N 1.049 120.850 119.914 -0.188 0.000 2.509 379 V HA 0.524 4.644 4.120 -0.000 0.000 0.284 379 V C 0.064 176.053 176.094 -0.174 0.000 1.047 379 V CA -0.741 61.514 62.300 -0.076 0.000 0.952 379 V CB 0.512 32.332 31.823 -0.005 0.000 0.988 379 V HN 0.909 nan 8.190 nan 0.000 0.469 380 E N 4.064 124.215 120.200 -0.080 0.000 2.392 380 E HA 0.364 4.714 4.350 -0.000 0.000 0.259 380 E C -0.615 175.905 176.600 -0.135 0.000 1.108 380 E CA -0.479 55.865 56.400 -0.094 0.000 0.916 380 E CB 1.086 30.768 29.700 -0.030 0.000 0.989 380 E HN 0.615 nan 8.360 nan 0.000 0.432 381 I N 2.718 123.211 120.570 -0.129 0.000 2.833 381 I HA 0.138 4.308 4.170 -0.000 0.000 0.286 381 I C -0.359 175.708 176.117 -0.083 0.000 1.287 381 I CA -0.131 61.085 61.300 -0.140 0.000 1.046 381 I CB 0.183 38.082 38.000 -0.168 0.000 1.612 381 I HN 0.324 nan 8.210 nan 0.000 0.585 382 T N 2.001 116.517 114.554 -0.063 0.000 2.928 382 T HA 0.462 4.811 4.350 -0.000 0.000 0.284 382 T C 1.606 176.285 174.700 -0.035 0.000 1.008 382 T CA -0.027 62.051 62.100 -0.037 0.000 1.057 382 T CB 2.310 71.167 68.868 -0.018 0.000 1.018 382 T HN 0.528 nan 8.240 nan 0.000 0.493 383 A N 1.769 124.575 122.820 -0.024 0.000 1.915 383 A HA -0.277 4.043 4.320 -0.000 0.000 0.220 383 A C 2.241 179.818 177.584 -0.013 0.000 1.198 383 A CA 2.506 54.532 52.037 -0.019 0.000 0.647 383 A CB -0.990 18.004 19.000 -0.010 0.000 0.825 383 A HN 0.942 nan 8.150 nan 0.000 0.456 384 Q N -0.583 119.215 119.800 -0.004 0.000 2.020 384 Q HA -0.195 4.145 4.340 -0.000 0.000 0.202 384 Q C 2.154 178.166 176.000 0.020 0.000 0.982 384 Q CA 2.977 58.787 55.803 0.012 0.000 0.838 384 Q CB -0.511 28.237 28.738 0.016 0.000 0.899 384 Q HN 0.762 nan 8.270 nan 0.000 0.423 385 T N -1.794 112.757 114.554 -0.006 0.000 2.777 385 T HA -0.081 4.269 4.350 -0.000 0.000 0.266 385 T C 1.933 176.584 174.700 -0.082 0.000 1.040 385 T CA 1.266 63.340 62.100 -0.042 0.000 1.141 385 T CB -0.773 68.058 68.868 -0.063 0.000 0.868 385 T HN 0.145 nan 8.240 nan 0.000 0.444 386 V N 2.203 122.067 119.914 -0.085 0.000 2.231 386 V HA -0.226 3.894 4.120 -0.000 0.000 0.248 386 V C 3.104 179.156 176.094 -0.071 0.000 1.054 386 V CA 2.298 64.539 62.300 -0.098 0.000 1.015 386 V CB -1.450 30.329 31.823 -0.074 0.000 0.638 386 V HN 0.737 nan 8.190 nan 0.000 0.444 387 S N -0.233 115.446 115.700 -0.035 0.000 2.377 387 S HA -0.428 4.042 4.470 -0.000 0.000 0.224 387 S C 2.064 176.643 174.600 -0.036 0.000 1.042 387 S CA 2.635 60.820 58.200 -0.025 0.000 1.086 387 S CB -0.770 62.431 63.200 0.002 0.000 0.995 387 S HN 0.818 nan 8.310 nan 0.000 0.428 388 H N 1.166 120.191 119.070 -0.077 0.000 2.337 388 H HA -0.165 4.391 4.556 -0.000 0.000 0.288 388 H C 1.829 177.098 175.328 -0.098 0.000 1.117 388 H CA 2.466 58.472 56.048 -0.070 0.000 1.205 388 H CB -0.777 28.944 29.762 -0.068 0.000 1.353 388 H HN 0.473 nan 8.280 nan 0.000 0.480 389 L N 0.172 121.223 121.223 -0.287 0.000 2.353 389 L HA -0.179 4.161 4.340 -0.000 0.000 0.220 389 L C 2.563 179.271 176.870 -0.270 0.000 1.133 389 L CA 0.751 55.388 54.840 -0.338 0.000 0.798 389 L CB -0.391 41.496 42.059 -0.286 0.000 0.922 389 L HN 0.381 nan 8.230 nan 0.000 0.445 390 Q N -0.009 119.671 119.800 -0.201 0.000 2.077 390 Q HA -0.184 4.156 4.340 -0.000 0.000 0.206 390 Q C 2.273 178.185 176.000 -0.147 0.000 0.989 390 Q CA 1.968 57.687 55.803 -0.140 0.000 0.853 390 Q CB -0.589 28.090 28.738 -0.097 0.000 0.907 390 Q HN 0.579 nan 8.270 nan 0.000 0.418 391 G N -0.046 108.640 108.800 -0.189 0.000 2.603 391 G HA2 -0.077 3.883 3.960 -0.000 0.000 0.214 391 G HA3 -0.077 3.883 3.960 -0.000 0.000 0.214 391 G C 1.443 176.247 174.900 -0.161 0.000 1.140 391 G CA 0.198 45.207 45.100 -0.153 0.000 0.800 391 G HN 0.266 nan 8.290 nan 0.000 0.533 392 L N 0.675 121.748 121.223 -0.250 0.000 2.027 392 L HA 0.385 4.725 4.340 -0.000 0.000 0.206 392 L C 1.069 177.867 176.870 -0.120 0.000 1.074 392 L CA 1.480 56.222 54.840 -0.162 0.000 0.745 392 L CB -0.142 41.805 42.059 -0.186 0.000 0.898 392 L HN 0.366 nan 8.230 nan 0.000 0.433 393 M N -3.669 115.828 119.600 -0.171 0.000 2.365 393 M HA 0.383 4.863 4.480 -0.000 0.000 0.288 393 M C -2.424 173.794 176.300 -0.136 0.000 1.152 393 M CA -1.345 53.872 55.300 -0.139 0.000 0.948 393 M CB 1.482 33.980 32.600 -0.171 0.000 1.729 393 M HN -0.362 nan 8.290 nan 0.000 0.487 394 P HA -0.078 nan 4.420 nan 0.000 0.217 394 P C 1.096 178.346 177.300 -0.084 0.000 1.151 394 P CA 1.945 64.998 63.100 -0.080 0.000 0.828 394 P CB 0.096 31.761 31.700 -0.058 0.000 0.788 395 S N -0.122 115.526 115.700 -0.086 0.000 2.377 395 S HA -0.053 4.417 4.470 -0.000 0.000 0.223 395 S C 2.188 176.700 174.600 -0.146 0.000 1.030 395 S CA 0.734 58.882 58.200 -0.086 0.000 0.970 395 S CB -1.751 61.423 63.200 -0.044 0.000 0.830 395 S HN 0.007 nan 8.310 nan 0.000 0.473 396 V N 2.185 121.973 119.914 -0.210 0.000 2.720 396 V HA -0.010 4.110 4.120 -0.000 0.000 0.256 396 V C 2.011 177.869 176.094 -0.394 0.000 1.082 396 V CA 1.222 63.293 62.300 -0.382 0.000 1.101 396 V CB -0.769 30.789 31.823 -0.441 0.000 0.693 396 V HN 0.546 nan 8.190 nan 0.000 0.479 397 L N -0.404 120.737 121.223 -0.136 0.000 2.083 397 L HA -0.168 4.172 4.340 -0.000 0.000 0.209 397 L C 2.548 179.417 176.870 -0.001 0.000 1.083 397 L CA 2.012 56.874 54.840 0.038 0.000 0.752 397 L CB -0.670 41.388 42.059 -0.002 0.000 0.899 397 L HN 0.373 nan 8.230 nan 0.000 0.433 398 E N 0.143 120.296 120.200 -0.079 0.000 2.110 398 E HA -0.186 4.164 4.350 -0.000 0.000 0.193 398 E C 1.921 178.460 176.600 -0.102 0.000 0.988 398 E CA 1.036 57.396 56.400 -0.066 0.000 0.804 398 E CB -0.107 29.552 29.700 -0.067 0.000 0.745 398 E HN 0.497 nan 8.360 nan 0.000 0.458 399 N N 0.275 118.827 118.700 -0.245 0.000 2.166 399 N HA -0.156 4.584 4.740 -0.000 0.000 0.186 399 N C 1.345 176.713 175.510 -0.236 0.000 1.019 399 N CA 1.012 53.861 53.050 -0.336 0.000 0.856 399 N CB -0.377 37.762 38.487 -0.579 0.000 0.993 399 N HN 0.362 nan 8.380 nan 0.000 0.426 400 W N 1.899 123.186 121.300 -0.022 0.000 2.699 400 W HA -0.037 4.623 4.660 -0.000 0.000 0.249 400 W C 0.515 177.024 176.519 -0.018 0.000 1.280 400 W CA 0.178 57.510 57.345 -0.023 0.000 1.345 400 W CB -0.230 29.201 29.460 -0.048 0.000 1.128 400 W HN 0.259 nan 8.180 nan 0.000 0.642 401 E N -0.570 119.724 120.200 0.157 0.000 2.586 401 E HA -0.287 4.063 4.350 -0.000 0.000 0.259 401 E C -0.241 176.415 176.600 0.093 0.000 1.107 401 E CA 0.374 56.830 56.400 0.093 0.000 0.754 401 E CB -2.425 27.323 29.700 0.080 0.000 1.335 401 E HN 0.340 nan 8.360 nan 0.000 0.411 402 I N 0.788 121.429 120.570 0.118 0.000 2.532 402 I HA 0.423 4.593 4.170 -0.000 0.000 0.292 402 I C 1.114 177.255 176.117 0.039 0.000 1.014 402 I CA 0.194 61.536 61.300 0.071 0.000 1.340 402 I CB 1.333 39.375 38.000 0.069 0.000 1.422 402 I HN 0.250 nan 8.210 nan 0.000 0.528 403 G N 4.608 113.420 108.800 0.021 0.000 2.417 403 G HA2 0.612 4.572 3.960 -0.000 0.000 0.320 403 G HA3 0.612 4.572 3.960 -0.000 0.000 0.320 403 G C -1.140 173.760 174.900 0.000 0.000 1.204 403 G CA -0.285 44.821 45.100 0.009 0.000 0.923 403 G HN 0.376 nan 8.290 nan 0.000 0.466 404 V N 4.082 123.993 119.914 -0.005 0.000 2.610 404 V HA 0.218 4.338 4.120 -0.000 0.000 0.288 404 V C -0.454 175.633 176.094 -0.012 0.000 1.055 404 V CA -1.049 61.245 62.300 -0.010 0.000 0.902 404 V CB 1.447 33.261 31.823 -0.015 0.000 1.030 404 V HN 0.949 nan 8.190 nan 0.000 0.448 405 Q N 5.976 125.770 119.800 -0.010 0.000 2.394 405 Q HA 0.379 4.719 4.340 -0.000 0.000 0.248 405 Q C -2.231 173.761 176.000 -0.013 0.000 0.992 405 Q CA -1.321 54.476 55.803 -0.011 0.000 0.888 405 Q CB 0.001 28.734 28.738 -0.009 0.000 1.257 405 Q HN 0.517 nan 8.270 nan 0.000 0.462 406 P HA 0.098 nan 4.420 nan 0.000 0.269 406 P C -2.189 175.104 177.300 -0.011 0.000 1.211 406 P CA -0.605 62.486 63.100 -0.014 0.000 0.781 406 P CB -0.648 31.044 31.700 -0.013 0.000 0.877 407 P HA 0.005 nan 4.420 nan 0.000 0.271 407 P C -0.176 177.120 177.300 -0.006 0.000 1.238 407 P CA 0.069 63.164 63.100 -0.008 0.000 0.794 407 P CB 0.008 31.703 31.700 -0.008 0.000 0.959 408 T N 1.009 115.560 114.554 -0.005 0.000 2.916 408 T HA 0.150 4.500 4.350 -0.000 0.000 0.303 408 T C 0.610 175.308 174.700 -0.003 0.000 1.025 408 T CA 0.029 62.127 62.100 -0.003 0.000 1.142 408 T CB -0.281 68.586 68.868 -0.003 0.000 0.947 408 T HN 0.451 nan 8.240 nan 0.000 0.544 409 S N 2.297 117.995 115.700 -0.002 0.000 2.473 409 S HA 0.250 4.720 4.470 -0.000 0.000 0.312 409 S C 0.281 174.881 174.600 0.000 0.000 1.087 409 S CA -0.893 57.307 58.200 -0.001 0.000 1.077 409 S CB 0.299 63.499 63.200 -0.000 0.000 1.065 409 S HN 0.452 nan 8.310 nan 0.000 0.510 410 S N 4.713 120.413 115.700 0.000 0.000 4.087 410 S HA 0.484 4.954 4.470 -0.000 0.000 0.213 410 S C -0.045 174.556 174.600 0.002 0.000 1.415 410 S CA -0.480 57.721 58.200 0.001 0.000 0.893 410 S CB -1.152 62.048 63.200 0.001 0.000 1.529 410 S HN 0.784 nan 8.310 nan 0.000 0.457 411 I N 0.145 120.716 120.570 0.002 0.000 3.171 411 I HA 0.397 4.567 4.170 -0.000 0.000 0.312 411 I C -1.332 174.788 176.117 0.005 0.000 1.402 411 I CA -0.874 60.429 61.300 0.004 0.000 0.926 411 I CB 1.393 39.395 38.000 0.005 0.000 1.320 411 I HN 0.136 nan 8.210 nan 0.000 0.522 412 L N 1.446 122.673 121.223 0.007 0.000 2.370 412 L HA 0.658 4.998 4.340 -0.000 0.000 0.266 412 L C -1.593 175.287 176.870 0.015 0.000 1.002 412 L CA -0.415 54.430 54.840 0.008 0.000 0.818 412 L CB 2.128 44.190 42.059 0.006 0.000 1.325 412 L HN 0.705 nan 8.230 nan 0.000 0.418 413 E N 0.326 120.537 120.200 0.020 0.000 2.423 413 E HA 0.515 4.865 4.350 -0.000 0.000 0.280 413 E C -2.036 174.587 176.600 0.038 0.000 1.030 413 E CA -0.918 55.503 56.400 0.035 0.000 0.812 413 E CB 1.181 30.902 29.700 0.035 0.000 1.313 413 E HN 0.198 nan 8.360 nan 0.000 0.456 414 D N -0.125 120.318 120.400 0.072 0.000 2.442 414 D HA 0.714 5.354 4.640 -0.000 0.000 0.254 414 D C -0.458 175.905 176.300 0.105 0.000 1.069 414 D CA -0.636 53.394 54.000 0.050 0.000 1.017 414 D CB 1.302 42.120 40.800 0.030 0.000 1.172 414 D HN 0.406 nan 8.370 nan 0.000 0.561 415 T N 0.235 114.810 114.554 0.035 0.000 2.921 415 T HA 0.404 4.754 4.350 -0.000 0.000 0.297 415 T C -1.115 173.641 174.700 0.092 0.000 1.013 415 T CA -0.535 61.636 62.100 0.118 0.000 0.990 415 T CB 0.540 69.432 68.868 0.040 0.000 1.023 415 T HN 0.111 nan 8.240 nan 0.000 0.447 416 Y N 1.324 121.634 120.300 0.017 0.000 2.360 416 Y HA 0.586 5.136 4.550 -0.000 0.000 0.337 416 Y C 0.708 176.633 175.900 0.042 0.000 1.039 416 Y CA -1.358 56.764 58.100 0.037 0.000 1.109 416 Y CB 1.197 39.681 38.460 0.041 0.000 1.201 416 Y HN 0.432 nan 8.280 nan 0.000 0.458 417 R N 1.589 122.214 120.500 0.208 0.000 2.459 417 R HA 0.256 4.596 4.340 -0.000 0.000 0.281 417 R C -1.013 175.478 176.300 0.318 0.000 1.050 417 R CA -0.404 55.786 56.100 0.151 0.000 1.055 417 R CB 0.235 30.651 30.300 0.194 0.000 1.045 417 R HN 0.753 nan 8.270 nan 0.000 0.495 418 Y N 1.965 122.298 120.300 0.055 0.000 3.078 418 Y HA -0.287 4.263 4.550 -0.000 0.000 0.202 418 Y C 1.180 177.111 175.900 0.052 0.000 1.322 418 Y CA 0.620 58.746 58.100 0.043 0.000 1.118 418 Y CB -1.940 36.542 38.460 0.037 0.000 1.343 418 Y HN 0.698 nan 8.280 nan 0.000 0.499 419 I N 0.382 121.038 120.570 0.142 0.000 2.185 419 I HA -0.365 3.805 4.170 -0.000 0.000 0.246 419 I C 2.318 178.469 176.117 0.056 0.000 1.088 419 I CA 2.419 63.770 61.300 0.084 0.000 1.347 419 I CB 0.137 38.153 38.000 0.027 0.000 1.041 419 I HN 0.496 nan 8.210 nan 0.000 0.415 420 E N 1.488 121.727 120.200 0.065 0.000 2.396 420 E HA -0.135 4.215 4.350 -0.000 0.000 0.200 420 E C 1.089 177.719 176.600 0.050 0.000 1.023 420 E CA 0.431 56.859 56.400 0.047 0.000 0.857 420 E CB -0.410 29.319 29.700 0.048 0.000 0.775 420 E HN 0.481 nan 8.360 nan 0.000 0.525 421 S N 0.262 116.007 115.700 0.074 0.000 2.579 421 S HA 0.078 4.548 4.470 -0.000 0.000 0.275 421 S C -1.521 173.093 174.600 0.024 0.000 1.345 421 S CA -0.819 57.410 58.200 0.047 0.000 1.031 421 S CB 0.696 63.923 63.200 0.046 0.000 0.892 421 S HN 0.093 nan 8.310 nan 0.000 0.529 422 P HA 0.076 nan 4.420 nan 0.000 0.233 422 P C 0.498 177.801 177.300 0.005 0.000 1.167 422 P CA 0.665 63.767 63.100 0.004 0.000 0.770 422 P CB -0.075 31.626 31.700 0.002 0.000 0.837 423 A N -0.769 122.059 122.820 0.013 0.000 2.275 423 A HA 0.203 4.523 4.320 -0.000 0.000 0.212 423 A C 0.782 178.389 177.584 0.039 0.000 1.201 423 A CA 0.468 52.517 52.037 0.021 0.000 0.843 423 A CB -0.463 18.549 19.000 0.019 0.000 0.873 423 A HN 0.116 nan 8.150 nan 0.000 0.492 424 T N 0.445 115.016 114.554 0.028 0.000 2.829 424 T HA 0.343 4.693 4.350 -0.000 0.000 0.280 424 T C -0.188 174.452 174.700 -0.099 0.000 0.999 424 T CA -0.614 61.494 62.100 0.013 0.000 0.983 424 T CB 1.716 70.628 68.868 0.072 0.000 0.968 424 T HN 0.379 nan 8.240 nan 0.000 0.446 425 K N 1.636 121.891 120.400 -0.242 0.000 2.436 425 K HA 0.191 4.511 4.320 -0.000 0.000 0.275 425 K C -0.270 176.174 176.600 -0.260 0.000 0.999 425 K CA -0.538 55.588 56.287 -0.268 0.000 0.980 425 K CB 0.147 32.437 32.500 -0.349 0.000 0.919 425 K HN 0.780 nan 8.250 nan 0.000 0.484 426 C N 3.391 122.598 119.300 -0.155 0.000 2.415 426 C HA 0.415 4.875 4.460 -0.000 0.000 0.369 426 C C 1.618 176.543 174.990 -0.108 0.000 1.279 426 C CA -0.792 58.158 59.018 -0.112 0.000 1.886 426 C CB -0.069 27.630 27.740 -0.068 0.000 2.468 426 C HN 0.913 nan 8.230 nan 0.000 0.553 427 A N 3.364 126.127 122.820 -0.095 0.000 1.902 427 A HA 0.058 4.378 4.320 -0.000 0.000 0.217 427 A C 1.755 179.311 177.584 -0.047 0.000 1.181 427 A CA 1.840 53.835 52.037 -0.069 0.000 0.623 427 A CB -0.977 17.994 19.000 -0.049 0.000 0.818 427 A HN 2.295 nan 8.150 nan 0.000 0.443 428 S N -1.208 114.467 115.700 -0.041 0.000 3.641 428 S HA -0.173 4.297 4.470 -0.000 0.000 0.346 428 S C -0.529 174.056 174.600 -0.025 0.000 1.074 428 S CA 0.816 58.998 58.200 -0.031 0.000 1.026 428 S CB -2.834 60.347 63.200 -0.031 0.000 0.908 428 S HN 0.662 nan 8.310 nan 0.000 0.479 429 N N 0.341 119.027 118.700 -0.024 0.000 2.372 429 N HA 0.627 5.367 4.740 -0.000 0.000 0.285 429 N C -0.725 174.774 175.510 -0.019 0.000 1.008 429 N CA -0.560 52.479 53.050 -0.019 0.000 0.880 429 N CB 1.915 40.391 38.487 -0.017 0.000 1.239 429 N HN 0.245 nan 8.380 nan 0.000 0.484 430 V N 3.369 123.273 119.914 -0.018 0.000 2.370 430 V HA 0.470 4.590 4.120 -0.000 0.000 0.279 430 V C 0.191 176.273 176.094 -0.020 0.000 1.029 430 V CA -0.535 61.753 62.300 -0.019 0.000 0.870 430 V CB 0.503 32.314 31.823 -0.020 0.000 0.984 430 V HN 0.512 nan 8.190 nan 0.000 0.451 431 I N 7.484 128.042 120.570 -0.021 0.000 2.406 431 I HA 0.572 4.742 4.170 -0.000 0.000 0.290 431 I C -2.211 173.891 176.117 -0.025 0.000 0.999 431 I CA -1.387 59.899 61.300 -0.022 0.000 1.124 431 I CB 2.451 40.440 38.000 -0.020 0.000 1.289 431 I HN 0.529 nan 8.210 nan 0.000 0.441 432 P HA 0.549 nan 4.420 nan 0.000 0.312 432 P C -0.995 176.285 177.300 -0.034 0.000 1.499 432 P CA -0.495 62.585 63.100 -0.033 0.000 1.128 432 P CB 2.058 33.735 31.700 -0.040 0.000 1.264 433 A N 3.507 126.308 122.820 -0.032 0.000 2.511 433 A HA 0.182 4.502 4.320 -0.000 0.000 0.242 433 A C 0.217 177.778 177.584 -0.037 0.000 1.069 433 A CA -0.031 51.988 52.037 -0.031 0.000 0.763 433 A CB -0.068 18.915 19.000 -0.027 0.000 1.001 433 A HN 0.475 nan 8.150 nan 0.000 0.498 434 K N 2.352 122.730 120.400 -0.037 0.000 2.262 434 K HA 0.275 4.595 4.320 -0.000 0.000 0.282 434 K C 0.006 176.584 176.600 -0.036 0.000 1.066 434 K CA -0.086 56.174 56.287 -0.044 0.000 0.901 434 K CB 1.251 33.724 32.500 -0.044 0.000 1.089 434 K HN 0.856 nan 8.250 nan 0.000 0.476 435 E N 1.193 121.370 120.200 -0.039 0.000 2.476 435 E HA 0.029 4.379 4.350 -0.000 0.000 0.193 435 E C -0.592 176.001 176.600 -0.011 0.000 0.966 435 E CA 0.112 56.497 56.400 -0.024 0.000 1.114 435 E CB 0.592 30.276 29.700 -0.026 0.000 1.151 435 E HN 0.432 nan 8.360 nan 0.000 0.487 436 D N 0.953 121.339 120.400 -0.023 0.000 2.469 436 D HA 0.188 4.828 4.640 -0.000 0.000 0.251 436 D C -2.063 174.191 176.300 -0.077 0.000 1.173 436 D CA -1.564 52.441 54.000 0.007 0.000 0.882 436 D CB 1.698 42.512 40.800 0.023 0.000 1.129 436 D HN -0.124 nan 8.370 nan 0.000 0.549 437 P HA -0.107 nan 4.420 nan 0.000 0.217 437 P C 0.984 178.011 177.300 -0.455 0.000 1.150 437 P CA 0.908 63.813 63.100 -0.324 0.000 0.832 437 P CB 0.177 31.601 31.700 -0.460 0.000 0.787 438 Y N -0.115 120.186 120.300 0.001 0.000 2.421 438 Y HA -0.002 4.548 4.550 -0.000 0.000 0.292 438 Y C 2.476 178.257 175.900 -0.198 0.000 1.136 438 Y CA 0.665 58.787 58.100 0.037 0.000 1.255 438 Y CB -1.481 37.101 38.460 0.204 0.000 0.991 438 Y HN -0.105 nan 8.280 nan 0.000 0.552 439 A N 0.346 123.100 122.820 -0.110 0.000 2.032 439 A HA -0.190 4.130 4.320 -0.000 0.000 0.221 439 A C 2.589 180.008 177.584 -0.276 0.000 1.165 439 A CA 1.788 53.727 52.037 -0.163 0.000 0.645 439 A CB -1.395 17.531 19.000 -0.123 0.000 0.807 439 A HN 0.486 nan 8.150 nan 0.000 0.453 440 G N -0.593 107.903 108.800 -0.507 0.000 2.402 440 G HA2 0.090 4.050 3.960 -0.000 0.000 0.216 440 G HA3 0.090 4.050 3.960 -0.000 0.000 0.216 440 G C 0.588 175.231 174.900 -0.428 0.000 1.162 440 G CA 0.562 45.331 45.100 -0.553 0.000 0.777 440 G HN 0.470 nan 8.290 nan 0.000 0.539 441 F N 0.529 120.469 119.950 -0.016 0.000 2.380 441 F HA 0.604 5.131 4.527 -0.000 0.000 0.321 441 F C 0.546 176.237 175.800 -0.181 0.000 1.103 441 F CA -1.098 56.903 58.000 0.002 0.000 1.067 441 F CB 1.193 40.286 39.000 0.155 0.000 1.265 441 F HN -0.071 nan 8.300 nan 0.000 0.517 442 K N 1.371 121.763 120.400 -0.012 0.000 2.508 442 K HA 0.659 4.979 4.320 -0.000 0.000 0.260 442 K C -1.879 174.597 176.600 -0.206 0.000 0.949 442 K CA -0.658 55.434 56.287 -0.324 0.000 0.834 442 K CB 2.105 34.520 32.500 -0.141 0.000 1.365 442 K HN 0.723 nan 8.250 nan 0.000 0.437 443 F N -1.825 118.198 119.950 0.123 0.000 2.779 443 F HA 0.506 5.033 4.527 -0.000 0.000 0.316 443 F C -0.702 175.201 175.800 0.171 0.000 1.164 443 F CA -1.458 56.616 58.000 0.123 0.000 0.924 443 F CB 0.291 39.360 39.000 0.116 0.000 1.348 443 F HN 0.443 nan 8.300 nan 0.000 0.467 444 W N 3.047 124.513 121.300 0.275 0.000 2.343 444 W HA 0.144 4.804 4.660 -0.000 0.000 0.337 444 W C -0.845 175.811 176.519 0.228 0.000 1.320 444 W CA 0.041 57.520 57.345 0.224 0.000 1.290 444 W CB 0.451 30.098 29.460 0.311 0.000 1.206 444 W HN 0.722 nan 8.180 nan 0.000 0.565 445 N N 5.994 125.068 118.700 0.623 0.000 2.476 445 N HA 0.338 5.078 4.740 -0.000 0.000 0.257 445 N C -0.932 174.767 175.510 0.315 0.000 0.970 445 N CA -0.466 52.792 53.050 0.347 0.000 0.938 445 N CB 0.564 39.154 38.487 0.172 0.000 1.144 445 N HN 0.214 nan 8.380 nan 0.000 0.500 446 I N 1.972 122.623 120.570 0.136 0.000 2.328 446 I HA 0.162 4.332 4.170 -0.000 0.000 0.287 446 I C -0.302 175.796 176.117 -0.033 0.000 1.012 446 I CA -0.694 60.605 61.300 -0.002 0.000 1.195 446 I CB 1.198 39.070 38.000 -0.214 0.000 1.350 446 I HN 0.420 nan 8.210 nan 0.000 0.464 447 D N 7.213 127.612 120.400 -0.003 0.000 2.249 447 D HA 0.270 4.910 4.640 -0.000 0.000 0.246 447 D C 0.134 176.412 176.300 -0.036 0.000 1.114 447 D CA -0.073 53.918 54.000 -0.015 0.000 0.854 447 D CB 1.757 42.566 40.800 0.014 0.000 1.132 447 D HN 0.496 nan 8.370 nan 0.000 0.461 448 L N 3.713 124.901 121.223 -0.058 0.000 2.959 448 L HA 0.160 4.500 4.340 -0.000 0.000 0.259 448 L C 2.003 178.857 176.870 -0.026 0.000 1.185 448 L CA -0.197 54.602 54.840 -0.068 0.000 0.998 448 L CB 0.388 42.355 42.059 -0.153 0.000 1.337 448 L HN 0.250 nan 8.230 nan 0.000 0.555 449 K N 0.586 120.991 120.400 0.008 0.000 2.281 449 K HA -0.172 4.148 4.320 -0.000 0.000 0.203 449 K C 1.134 177.771 176.600 0.062 0.000 1.046 449 K CA 1.386 57.703 56.287 0.051 0.000 0.938 449 K CB 0.190 32.721 32.500 0.051 0.000 0.737 449 K HN 0.470 nan 8.250 nan 0.000 0.458 450 E N -0.375 119.853 120.200 0.047 0.000 2.391 450 E HA 0.039 4.389 4.350 -0.000 0.000 0.206 450 E C 0.135 176.777 176.600 0.070 0.000 0.851 450 E CA -0.015 56.420 56.400 0.058 0.000 1.059 450 E CB 0.480 30.208 29.700 0.047 0.000 1.065 450 E HN 0.036 nan 8.360 nan 0.000 0.512 451 K N 1.698 122.128 120.400 0.051 0.000 3.006 451 K HA 0.168 4.488 4.320 -0.000 0.000 0.265 451 K C -0.804 175.816 176.600 0.034 0.000 1.279 451 K CA -0.059 56.266 56.287 0.063 0.000 1.229 451 K CB -0.010 32.519 32.500 0.048 0.000 1.555 451 K HN -0.076 nan 8.250 nan 0.000 0.300 452 L N -0.569 120.695 121.223 0.068 0.000 2.410 452 L HA 0.432 4.772 4.340 -0.000 0.000 0.270 452 L C -0.744 176.234 176.870 0.179 0.000 0.983 452 L CA -0.210 54.668 54.840 0.063 0.000 0.822 452 L CB 2.071 44.162 42.059 0.053 0.000 1.285 452 L HN 0.097 nan 8.230 nan 0.000 0.409 453 S N 2.919 118.725 115.700 0.177 0.000 2.811 453 S HA 0.653 5.123 4.470 -0.000 0.000 0.311 453 S C -0.400 174.304 174.600 0.173 0.000 1.152 453 S CA -0.324 58.024 58.200 0.247 0.000 0.864 453 S CB 1.359 64.749 63.200 0.317 0.000 1.226 453 S HN 0.755 nan 8.310 nan 0.000 0.541 454 L N 1.079 122.335 121.223 0.055 0.000 3.039 454 L HA 0.606 4.946 4.340 -0.000 0.000 0.269 454 L C -1.129 175.688 176.870 -0.089 0.000 1.169 454 L CA 0.324 55.020 54.840 -0.239 0.000 0.986 454 L CB 0.526 42.462 42.059 -0.206 0.000 1.377 454 L HN 0.460 nan 8.230 nan 0.000 0.575 455 D N 0.748 121.195 120.400 0.078 0.000 2.479 455 D HA 0.258 4.898 4.640 -0.000 0.000 0.218 455 D C 1.449 177.830 176.300 0.136 0.000 1.131 455 D CA 0.048 54.096 54.000 0.081 0.000 0.916 455 D CB 0.855 41.702 40.800 0.077 0.000 1.022 455 D HN 0.130 nan 8.370 nan 0.000 0.515 456 L N 0.898 122.143 121.223 0.037 0.000 2.042 456 L HA -0.207 4.133 4.340 -0.000 0.000 0.210 456 L C 1.929 178.843 176.870 0.072 0.000 1.076 456 L CA 1.174 56.037 54.840 0.038 0.000 0.749 456 L CB -0.135 41.865 42.059 -0.098 0.000 0.893 456 L HN 0.312 nan 8.230 nan 0.000 0.432 457 D N -0.100 120.314 120.400 0.023 0.000 2.133 457 D HA -0.281 4.359 4.640 -0.000 0.000 0.195 457 D C 2.172 178.447 176.300 -0.040 0.000 0.997 457 D CA 1.483 55.483 54.000 0.000 0.000 0.840 457 D CB 0.004 40.792 40.800 -0.020 0.000 0.947 457 D HN 0.271 nan 8.370 nan 0.000 0.452 458 Q N -1.374 118.361 119.800 -0.107 0.000 2.062 458 Q HA -0.165 4.175 4.340 -0.000 0.000 0.209 458 Q C 0.211 175.928 176.000 -0.470 0.000 0.996 458 Q CA 1.067 56.660 55.803 -0.350 0.000 0.859 458 Q CB -0.144 28.218 28.738 -0.626 0.000 0.920 458 Q HN 0.260 nan 8.270 nan 0.000 0.415 459 F N 0.191 119.997 119.950 -0.239 0.000 2.375 459 F HA 0.148 4.675 4.527 -0.000 0.000 0.313 459 F C -1.126 174.564 175.800 -0.183 0.000 1.176 459 F CA -2.106 55.697 58.000 -0.329 0.000 1.142 459 F CB -0.362 38.086 39.000 -0.920 0.000 1.275 459 F HN 0.068 nan 8.300 nan 0.000 0.544 460 P HA -0.186 nan 4.420 nan 0.000 0.214 460 P C 1.702 179.088 177.300 0.143 0.000 1.162 460 P CA 1.333 64.487 63.100 0.091 0.000 0.879 460 P CB 0.169 31.925 31.700 0.092 0.000 0.786 461 L N -0.077 121.276 121.223 0.216 0.000 2.549 461 L HA 0.118 4.458 4.340 -0.000 0.000 0.229 461 L C 2.172 179.255 176.870 0.356 0.000 1.158 461 L CA 1.373 56.385 54.840 0.286 0.000 0.842 461 L CB -1.466 40.785 42.059 0.320 0.000 0.952 461 L HN -0.065 nan 8.230 nan 0.000 0.452 462 G N -0.811 108.141 108.800 0.254 0.000 2.425 462 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.213 462 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.213 462 G C 1.710 176.746 174.900 0.226 0.000 1.201 462 G CA 0.371 45.603 45.100 0.219 0.000 0.799 462 G HN 0.323 nan 8.290 nan 0.000 0.534 463 R N -0.293 120.298 120.500 0.152 0.000 2.096 463 R HA -0.022 4.318 4.340 -0.000 0.000 0.240 463 R C 2.699 179.096 176.300 0.161 0.000 1.139 463 R CA 1.008 57.180 56.100 0.119 0.000 0.952 463 R CB -0.243 30.099 30.300 0.070 0.000 0.854 463 R HN 0.048 nan 8.270 nan 0.000 0.436 464 R N 0.004 120.629 120.500 0.209 0.000 2.170 464 R HA -0.152 4.188 4.340 -0.000 0.000 0.242 464 R C 1.862 178.374 176.300 0.353 0.000 1.145 464 R CA 1.351 57.607 56.100 0.260 0.000 0.984 464 R CB -0.468 30.000 30.300 0.279 0.000 0.869 464 R HN 0.268 nan 8.270 nan 0.000 0.455 465 F N 0.430 120.496 119.950 0.193 0.000 2.104 465 F HA -0.039 4.488 4.527 -0.000 0.000 0.288 465 F C 2.126 177.822 175.800 -0.173 0.000 1.107 465 F CA 0.886 58.865 58.000 -0.036 0.000 1.208 465 F CB -0.394 38.626 39.000 0.033 0.000 1.033 465 F HN -0.157 nan 8.300 nan 0.000 0.478 466 L N 0.619 122.038 121.223 0.327 0.000 2.081 466 L HA -0.277 4.063 4.340 -0.000 0.000 0.212 466 L C 2.767 179.612 176.870 -0.043 0.000 1.080 466 L CA 1.092 56.008 54.840 0.127 0.000 0.754 466 L CB -1.443 40.682 42.059 0.111 0.000 0.893 466 L HN 0.357 nan 8.230 nan 0.000 0.433 467 A N -0.069 122.740 122.820 -0.018 0.000 1.859 467 A HA -0.342 3.978 4.320 -0.000 0.000 0.217 467 A C 2.293 179.809 177.584 -0.114 0.000 1.198 467 A CA 2.244 54.258 52.037 -0.039 0.000 0.629 467 A CB -0.784 18.222 19.000 0.009 0.000 0.830 467 A HN 0.503 nan 8.150 nan 0.000 0.446 468 Q N -1.431 118.251 119.800 -0.197 0.000 2.135 468 Q HA -0.296 4.044 4.340 -0.000 0.000 0.204 468 Q C 2.241 178.050 176.000 -0.319 0.000 0.981 468 Q CA 1.992 57.627 55.803 -0.281 0.000 0.856 468 Q CB -0.143 28.316 28.738 -0.465 0.000 0.902 468 Q HN 0.699 nan 8.270 nan 0.000 0.425 469 Q N -0.873 118.694 119.800 -0.389 0.000 2.084 469 Q HA -0.099 4.241 4.340 -0.000 0.000 0.202 469 Q C 1.218 177.116 176.000 -0.170 0.000 0.978 469 Q CA 2.263 57.879 55.803 -0.311 0.000 0.844 469 Q CB -0.171 28.394 28.738 -0.287 0.000 0.898 469 Q HN 0.574 nan 8.270 nan 0.000 0.426 470 G N -2.101 106.624 108.800 -0.125 0.000 2.316 470 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.203 470 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.203 470 G C 0.226 175.090 174.900 -0.060 0.000 0.999 470 G CA -0.002 45.048 45.100 -0.084 0.000 0.649 470 G HN 0.794 nan 8.290 nan 0.000 0.489 471 A N 1.133 123.918 122.820 -0.058 0.000 3.056 471 A HA 0.702 5.022 4.320 -0.000 0.000 0.274 471 A C 0.764 178.333 177.584 -0.024 0.000 1.661 471 A CA 0.906 52.921 52.037 -0.037 0.000 1.363 471 A CB -0.474 18.505 19.000 -0.035 0.000 1.139 471 A HN 1.668 nan 8.150 nan 0.000 0.598 472 G N -0.918 107.868 108.800 -0.024 0.000 2.530 472 G HA2 0.400 4.360 3.960 -0.000 0.000 0.316 472 G HA3 0.400 4.360 3.960 -0.000 0.000 0.316 472 G C 0.245 175.139 174.900 -0.011 0.000 1.298 472 G CA -0.246 44.845 45.100 -0.014 0.000 0.948 472 G HN 0.457 nan 8.290 nan 0.000 0.486 473 C N 1.240 120.537 119.300 -0.006 0.000 2.673 473 C HA 0.553 5.013 4.460 -0.000 0.000 0.264 473 C C 1.329 176.316 174.990 -0.006 0.000 1.304 473 C CA 0.489 59.502 59.018 -0.008 0.000 1.727 473 C CB -0.759 26.976 27.740 -0.009 0.000 1.932 473 C HN 0.687 nan 8.230 nan 0.000 0.563 474 S N 0.368 116.067 115.700 -0.001 0.000 2.609 474 S HA 0.335 4.805 4.470 -0.000 0.000 0.250 474 S C -0.614 173.988 174.600 0.005 0.000 1.112 474 S CA -0.195 58.007 58.200 0.002 0.000 1.102 474 S CB 0.672 63.876 63.200 0.007 0.000 1.124 474 S HN 0.352 nan 8.310 nan 0.000 0.460 475 T N 3.543 118.096 114.554 -0.002 0.000 2.869 475 T HA 0.274 4.624 4.350 -0.000 0.000 0.295 475 T C 0.399 175.101 174.700 0.003 0.000 0.987 475 T CA -0.368 61.729 62.100 -0.005 0.000 1.109 475 T CB 1.162 70.022 68.868 -0.014 0.000 0.932 475 T HN 0.510 nan 8.240 nan 0.000 0.518 476 V N 5.888 125.807 119.914 0.008 0.000 2.157 476 V HA 0.246 4.366 4.120 -0.000 0.000 0.241 476 V C 0.503 176.601 176.094 0.007 0.000 1.349 476 V CA 0.256 62.565 62.300 0.015 0.000 1.319 476 V CB -1.297 30.544 31.823 0.031 0.000 1.421 476 V HN 0.557 nan 8.190 nan 0.000 0.501 477 R N 3.832 124.334 120.500 0.002 0.000 2.518 477 R HA 0.346 4.686 4.340 -0.000 0.000 0.287 477 R C -0.436 175.863 176.300 -0.001 0.000 1.135 477 R CA -0.498 55.601 56.100 -0.001 0.000 0.967 477 R CB 2.072 32.368 30.300 -0.006 0.000 1.212 477 R HN 0.717 nan 8.270 nan 0.000 0.422 478 K N 2.173 122.572 120.400 -0.001 0.000 2.842 478 K HA 0.415 4.735 4.320 -0.000 0.000 0.176 478 K C -0.397 176.202 176.600 -0.002 0.000 1.080 478 K CA -0.683 55.603 56.287 -0.002 0.000 0.954 478 K CB 1.162 33.662 32.500 -0.000 0.000 1.203 478 K HN 0.249 nan 8.250 nan 0.000 0.611 479 R N 2.363 122.861 120.500 -0.004 0.000 2.538 479 R HA 0.031 4.371 4.340 -0.000 0.000 0.282 479 R C -0.100 176.198 176.300 -0.004 0.000 1.009 479 R CA 0.211 56.308 56.100 -0.004 0.000 1.063 479 R CB 0.328 30.625 30.300 -0.006 0.000 0.945 479 R HN 0.630 nan 8.270 nan 0.000 0.414 480 R N 2.670 123.168 120.500 -0.004 0.000 2.480 480 R HA 0.447 4.787 4.340 -0.000 0.000 0.306 480 R C -0.763 175.534 176.300 -0.004 0.000 0.958 480 R CA -0.783 55.315 56.100 -0.003 0.000 0.861 480 R CB 1.167 31.465 30.300 -0.002 0.000 1.171 480 R HN 0.306 nan 8.270 nan 0.000 0.445 481 I N 1.589 122.157 120.570 -0.004 0.000 2.562 481 I HA 0.522 4.692 4.170 -0.000 0.000 0.301 481 I C 0.074 176.189 176.117 -0.003 0.000 1.003 481 I CA -0.494 60.804 61.300 -0.004 0.000 1.127 481 I CB 1.745 39.742 38.000 -0.004 0.000 1.304 481 I HN 0.878 nan 8.210 nan 0.000 0.446 482 S N 0.000 115.698 115.700 -0.003 0.000 2.498 482 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 482 S CA 0.000 58.198 58.200 -0.003 0.000 1.107 482 S CB 0.000 63.199 63.200 -0.002 0.000 0.593 482 S HN 0.000 nan 8.310 nan 0.000 0.517