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 2r5j_1_E DATA FIRST_RESID 20 DATA SEQUENCE AVVSTDEYVT RTNIYYHAGS SRLLAVGHPY YAIKKQDSNK IAVPKVSGLQ DATA SEQUENCE YRVFRVKLPD PNKFGFPDTS FYDPASQRLV WACTGVEVGR GQPLGVGISG DATA SEQUENCE HPLLNKLDDT ENSNKYVGNS GTDNRECISM DYKQTQLCLI GCRPPIGEHW DATA SEQUENCE GKGTPSNANQ VKAGECPPLE LLNTVLQDGD MVDTGFGAMD FTTLQANKSD DATA SEQUENCE VPLDICSSIC KYPDYLKMVS EPYGDMLFFY LRREQMFVRH LFNRAGTVGE DATA SEQUENCE TVPADLYIKG TTGTLPSTSY FPTPSGSMVT SDAQIFNKPY WLQRAQGHNN DATA SEQUENCE GICWSNQLFV TVVDTTRSTN MSVCSAVSSS DSTYKNDNFK EYLRHGEEYD DATA SEQUENCE LQFIFQLCKI TLTADVMTYI HSMNPSILED WNXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX PLKNYTFWEV DLKEKFSADL DQFPLGRKFL DATA SEQUENCE LQAGL 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 20 A HA 0.000 nan 4.320 nan 0.000 0.244 20 A C 0.000 177.622 177.584 0.063 0.000 1.274 20 A CA 0.000 52.046 52.037 0.014 0.000 0.836 20 A CB 0.000 19.004 19.000 0.007 0.000 0.831 21 V N 1.689 121.569 119.914 -0.055 0.000 2.811 21 V HA 0.530 4.650 4.120 -0.001 0.000 0.302 21 V C 0.201 176.233 176.094 -0.104 0.000 1.063 21 V CA 0.166 62.419 62.300 -0.078 0.000 1.088 21 V CB 1.406 32.909 31.823 -0.533 0.000 0.982 21 V HN 0.884 nan 8.190 nan 0.000 0.485 22 V N 2.532 122.510 119.914 0.108 0.000 3.147 22 V HA 0.367 4.487 4.120 -0.001 0.000 0.306 22 V C -0.083 176.245 176.094 0.391 0.000 1.209 22 V CA -0.718 61.651 62.300 0.116 0.000 1.023 22 V CB 2.382 34.204 31.823 -0.002 0.000 1.059 22 V HN 0.881 nan 8.190 nan 0.000 0.435 23 S N 1.206 117.174 115.700 0.446 0.000 2.552 23 S HA 0.013 4.483 4.470 -0.001 0.000 0.289 23 S C 1.615 176.333 174.600 0.197 0.000 1.304 23 S CA 0.498 58.920 58.200 0.371 0.000 1.063 23 S CB 0.917 64.258 63.200 0.234 0.000 0.848 23 S HN 1.298 nan 8.310 nan 0.000 0.499 24 T N 1.655 116.268 114.554 0.098 0.000 2.897 24 T HA -0.123 4.227 4.350 -0.001 0.000 0.271 24 T C 0.908 175.391 174.700 -0.363 0.000 1.084 24 T CA 1.515 63.401 62.100 -0.357 0.000 1.123 24 T CB -0.504 68.273 68.868 -0.151 0.000 0.865 24 T HN 0.678 nan 8.240 nan 0.000 0.496 25 D N 1.460 121.793 120.400 -0.113 0.000 2.263 25 D HA -0.053 4.587 4.640 -0.001 0.000 0.208 25 D C 2.063 178.339 176.300 -0.040 0.000 0.971 25 D CA 0.703 54.664 54.000 -0.065 0.000 0.867 25 D CB -0.206 40.592 40.800 -0.003 0.000 0.929 25 D HN 0.516 nan 8.370 nan 0.000 0.492 26 E N -0.292 119.907 120.200 -0.002 0.000 2.482 26 E HA -0.078 4.271 4.350 -0.001 0.000 0.196 26 E C 0.700 177.400 176.600 0.167 0.000 1.047 26 E CA 0.371 56.822 56.400 0.085 0.000 0.869 26 E CB 0.137 29.921 29.700 0.139 0.000 0.836 26 E HN 0.628 nan 8.360 nan 0.000 0.520 27 Y N -3.465 116.894 120.300 0.098 0.000 2.858 27 Y HA 0.393 4.943 4.550 -0.001 0.000 0.270 27 Y C -0.218 175.779 175.900 0.162 0.000 1.063 27 Y CA -0.538 57.635 58.100 0.121 0.000 1.263 27 Y CB 0.195 38.733 38.460 0.130 0.000 1.378 27 Y HN -0.285 nan 8.280 nan 0.000 0.578 28 V N 1.938 121.798 119.914 -0.091 0.000 2.409 28 V HA 0.378 4.497 4.120 -0.001 0.000 0.290 28 V C -0.134 175.932 176.094 -0.048 0.000 1.017 28 V CA -0.502 61.772 62.300 -0.044 0.000 0.841 28 V CB 1.508 33.242 31.823 -0.148 0.000 1.003 28 V HN 0.342 nan 8.190 nan 0.000 0.426 29 T N 6.161 120.705 114.554 -0.017 0.000 2.869 29 T HA 0.427 4.776 4.350 -0.001 0.000 0.295 29 T C 0.392 175.052 174.700 -0.067 0.000 0.987 29 T CA -0.422 61.658 62.100 -0.033 0.000 1.109 29 T CB 0.606 69.465 68.868 -0.015 0.000 0.932 29 T HN 0.499 nan 8.240 nan 0.000 0.518 30 R N 1.637 122.100 120.500 -0.062 0.000 2.549 30 R HA 0.695 5.034 4.340 -0.001 0.000 0.259 30 R C 0.103 176.354 176.300 -0.081 0.000 1.095 30 R CA -0.699 55.352 56.100 -0.081 0.000 1.148 30 R CB 0.712 30.983 30.300 -0.047 0.000 1.181 30 R HN 0.780 nan 8.270 nan 0.000 0.571 31 T N -3.025 111.465 114.554 -0.107 0.000 2.982 31 T HA 0.201 4.551 4.350 -0.001 0.000 0.321 31 T C -0.056 174.597 174.700 -0.080 0.000 1.229 31 T CA -0.885 61.170 62.100 -0.075 0.000 1.044 31 T CB 1.046 69.854 68.868 -0.100 0.000 1.184 31 T HN 0.552 nan 8.240 nan 0.000 0.477 32 N N 1.253 119.974 118.700 0.035 0.000 2.678 32 N HA 0.050 4.789 4.740 -0.001 0.000 0.223 32 N C -0.537 175.066 175.510 0.155 0.000 1.455 32 N CA 0.002 53.136 53.050 0.141 0.000 0.907 32 N CB -0.256 38.337 38.487 0.177 0.000 1.239 32 N HN 0.411 nan 8.380 nan 0.000 0.497 33 I N 1.502 122.044 120.570 -0.047 0.000 2.382 33 I HA 0.243 4.412 4.170 -0.001 0.000 0.285 33 I C -0.566 175.582 176.117 0.051 0.000 1.007 33 I CA -1.154 60.220 61.300 0.125 0.000 1.142 33 I CB -0.180 37.924 38.000 0.173 0.000 1.289 33 I HN -0.047 nan 8.210 nan 0.000 0.453 34 Y N 5.705 126.153 120.300 0.247 0.000 2.468 34 Y HA 0.623 5.172 4.550 -0.001 0.000 0.342 34 Y C -0.654 175.313 175.900 0.113 0.000 1.021 34 Y CA -0.825 57.390 58.100 0.192 0.000 1.079 34 Y CB 1.827 40.280 38.460 -0.010 0.000 1.226 34 Y HN 0.332 nan 8.280 nan 0.000 0.460 35 Y N 0.965 121.292 120.300 0.045 0.000 2.442 35 Y HA 0.275 4.825 4.550 -0.001 0.000 0.344 35 Y C -0.013 175.660 175.900 -0.380 0.000 0.976 35 Y CA -1.133 56.902 58.100 -0.109 0.000 1.040 35 Y CB 1.307 39.680 38.460 -0.145 0.000 1.228 35 Y HN 0.608 nan 8.280 nan 0.000 0.451 36 H N 2.258 121.102 119.070 -0.377 0.000 2.551 36 H HA 0.786 5.342 4.556 -0.001 0.000 0.358 36 H C -1.271 173.627 175.328 -0.715 0.000 1.151 36 H CA 0.044 55.724 56.048 -0.614 0.000 1.374 36 H CB 1.360 30.578 29.762 -0.906 0.000 1.473 36 H HN 0.805 nan 8.280 nan 0.000 0.574 37 A N 2.681 124.967 122.820 -0.890 0.000 2.480 37 A HA 0.530 4.850 4.320 -0.001 0.000 0.289 37 A C -0.801 176.648 177.584 -0.225 0.000 1.044 37 A CA -0.013 51.783 52.037 -0.401 0.000 0.761 37 A CB 1.120 19.807 19.000 -0.522 0.000 1.289 37 A HN 0.851 nan 8.150 nan 0.000 0.401 38 G N 0.910 109.754 108.800 0.074 0.000 2.617 38 G HA2 0.638 4.598 3.960 -0.001 0.000 0.306 38 G HA3 0.638 4.598 3.960 -0.001 0.000 0.306 38 G C -0.095 174.875 174.900 0.116 0.000 1.360 38 G CA 0.163 45.323 45.100 0.100 0.000 0.983 38 G HN 1.646 nan 8.290 nan 0.000 0.496 39 S N 1.138 116.873 115.700 0.059 0.000 2.565 39 S HA 0.542 5.011 4.470 -0.001 0.000 0.276 39 S C 1.107 175.730 174.600 0.038 0.000 1.326 39 S CA 0.164 58.391 58.200 0.045 0.000 1.045 39 S CB 1.035 64.207 63.200 -0.047 0.000 0.918 39 S HN 1.481 nan 8.310 nan 0.000 0.505 40 S N 2.744 118.484 115.700 0.067 0.000 2.658 40 S HA 0.104 4.574 4.470 -0.001 0.000 0.249 40 S C 0.416 175.039 174.600 0.039 0.000 1.363 40 S CA -0.746 57.491 58.200 0.062 0.000 0.964 40 S CB -0.076 63.171 63.200 0.078 0.000 0.973 40 S HN 0.989 nan 8.310 nan 0.000 0.588 41 R N 0.135 120.663 120.500 0.047 0.000 2.484 41 R HA 0.195 4.534 4.340 -0.001 0.000 0.293 41 R C -0.974 175.390 176.300 0.107 0.000 1.023 41 R CA -0.038 56.092 56.100 0.051 0.000 1.037 41 R CB -0.448 29.881 30.300 0.049 0.000 0.951 41 R HN 0.625 nan 8.270 nan 0.000 0.418 42 L N 7.018 128.313 121.223 0.120 0.000 2.280 42 L HA 0.394 4.733 4.340 -0.001 0.000 0.287 42 L C -0.446 176.645 176.870 0.368 0.000 1.023 42 L CA -0.619 54.396 54.840 0.291 0.000 0.819 42 L CB 1.207 43.328 42.059 0.104 0.000 1.212 42 L HN 0.540 nan 8.230 nan 0.000 0.420 43 L N 3.130 124.596 121.223 0.405 0.000 2.330 43 L HA 0.941 5.281 4.340 -0.001 0.000 0.271 43 L C -0.105 176.992 176.870 0.378 0.000 1.013 43 L CA -0.525 54.512 54.840 0.328 0.000 0.816 43 L CB 2.061 44.227 42.059 0.180 0.000 1.287 43 L HN 0.701 nan 8.230 nan 0.000 0.435 44 A N 1.840 124.828 122.820 0.280 0.000 2.517 44 A HA 0.818 5.138 4.320 -0.001 0.000 0.297 44 A C -1.556 176.072 177.584 0.073 0.000 1.050 44 A CA -0.449 51.675 52.037 0.144 0.000 0.694 44 A CB 1.798 20.914 19.000 0.192 0.000 1.277 44 A HN 0.339 nan 8.150 nan 0.000 0.400 45 V N 1.053 120.984 119.914 0.029 0.000 2.808 45 V HA 0.948 5.067 4.120 -0.001 0.000 0.308 45 V C 0.503 176.608 176.094 0.018 0.000 1.099 45 V CA 0.366 62.679 62.300 0.022 0.000 0.920 45 V CB 1.750 33.589 31.823 0.028 0.000 1.014 45 V HN 2.010 nan 8.190 nan 0.000 0.425 46 G N 1.561 110.378 108.800 0.029 0.000 2.348 46 G HA2 0.323 4.282 3.960 -0.001 0.000 0.296 46 G HA3 0.323 4.282 3.960 -0.001 0.000 0.296 46 G C -1.736 173.207 174.900 0.072 0.000 1.258 46 G CA -0.641 44.490 45.100 0.052 0.000 0.868 46 G HN 0.743 nan 8.290 nan 0.000 0.488 47 H N 1.695 120.743 119.070 -0.035 0.000 2.487 47 H HA 0.432 4.988 4.556 -0.001 0.000 0.333 47 H C -1.532 173.711 175.328 -0.141 0.000 1.114 47 H CA -1.455 54.517 56.048 -0.127 0.000 1.310 47 H CB 2.629 32.298 29.762 -0.154 0.000 1.462 47 H HN 0.197 nan 8.280 nan 0.000 0.516 48 P HA -0.022 nan 4.420 nan 0.000 0.245 48 P C 0.410 177.793 177.300 0.140 0.000 1.206 48 P CA 0.887 63.929 63.100 -0.097 0.000 0.781 48 P CB 0.327 31.837 31.700 -0.316 0.000 0.994 49 Y N -0.375 120.008 120.300 0.139 0.000 2.439 49 Y HA 0.129 4.679 4.550 -0.000 0.000 0.281 49 Y C 1.114 176.976 175.900 -0.063 0.000 1.145 49 Y CA -0.524 57.553 58.100 -0.039 0.000 1.252 49 Y CB 0.015 38.370 38.460 -0.176 0.000 1.271 49 Y HN -0.151 nan 8.280 nan 0.000 0.516 50 Y N -1.011 119.405 120.300 0.195 0.000 2.605 50 Y HA 0.842 5.392 4.550 -0.001 0.000 0.343 50 Y C -0.535 175.324 175.900 -0.068 0.000 1.036 50 Y CA -2.772 55.333 58.100 0.007 0.000 1.065 50 Y CB 0.492 38.908 38.460 -0.072 0.000 1.288 50 Y HN -0.076 nan 8.280 nan 0.000 0.481 51 A N 1.405 124.365 122.820 0.232 0.000 2.322 51 A HA 0.697 5.017 4.320 -0.001 0.000 0.269 51 A C -0.808 176.862 177.584 0.142 0.000 1.094 51 A CA -0.643 51.476 52.037 0.137 0.000 0.807 51 A CB -0.103 18.950 19.000 0.089 0.000 1.047 51 A HN 0.675 nan 8.150 nan 0.000 0.487 52 I N 2.097 122.727 120.570 0.100 0.000 2.359 52 I HA 0.250 4.420 4.170 -0.001 0.000 0.284 52 I C 0.334 176.479 176.117 0.046 0.000 1.018 52 I CA -0.287 61.062 61.300 0.081 0.000 1.173 52 I CB 1.084 39.147 38.000 0.106 0.000 1.326 52 I HN 0.740 nan 8.210 nan 0.000 0.462 53 K N 4.330 124.744 120.400 0.023 0.000 2.139 53 K HA 0.579 4.899 4.320 -0.001 0.000 0.243 53 K C -0.169 176.437 176.600 0.009 0.000 0.983 53 K CA -1.227 55.067 56.287 0.011 0.000 0.890 53 K CB 1.008 33.508 32.500 -0.000 0.000 1.090 53 K HN 0.079 nan 8.250 nan 0.000 0.445 54 K N 0.991 121.394 120.400 0.005 0.000 2.591 54 K HA -0.168 4.151 4.320 -0.001 0.000 0.280 54 K C 0.836 177.436 176.600 0.000 0.000 0.964 54 K CA 0.721 57.010 56.287 0.004 0.000 1.014 54 K CB 0.521 33.021 32.500 0.000 0.000 0.877 54 K HN 0.746 nan 8.250 nan 0.000 0.502 55 Q N 1.530 121.332 119.800 0.003 0.000 2.297 55 Q HA -0.153 4.186 4.340 -0.001 0.000 0.208 55 Q C 0.175 176.170 176.000 -0.008 0.000 0.981 55 Q CA 2.129 57.931 55.803 -0.001 0.000 0.876 55 Q CB 0.204 28.944 28.738 0.004 0.000 0.921 55 Q HN 0.736 nan 8.270 nan 0.000 0.446 56 D N -2.046 118.350 120.400 -0.007 0.000 3.099 56 D HA 0.085 4.725 4.640 -0.001 0.000 0.291 56 D C 0.211 176.506 176.300 -0.009 0.000 1.209 56 D CA 0.258 54.253 54.000 -0.009 0.000 1.032 56 D CB -0.502 40.294 40.800 -0.007 0.000 1.324 56 D HN 0.052 nan 8.370 nan 0.000 0.440 57 S N 1.077 116.773 115.700 -0.007 0.000 2.587 57 S HA 0.033 4.502 4.470 -0.001 0.000 0.260 57 S C 0.860 175.455 174.600 -0.009 0.000 1.353 57 S CA -0.255 57.941 58.200 -0.008 0.000 0.995 57 S CB 0.297 63.493 63.200 -0.007 0.000 0.912 57 S HN 0.275 nan 8.310 nan 0.000 0.568 58 N N 1.460 120.154 118.700 -0.010 0.000 2.234 58 N HA 0.074 4.814 4.740 -0.001 0.000 0.227 58 N C -0.352 175.153 175.510 -0.009 0.000 1.151 58 N CA -0.340 52.704 53.050 -0.011 0.000 0.865 58 N CB 0.122 38.602 38.487 -0.012 0.000 1.066 58 N HN 0.442 nan 8.380 nan 0.000 0.515 59 K N 1.410 121.806 120.400 -0.007 0.000 2.234 59 K HA 0.188 4.507 4.320 -0.001 0.000 0.282 59 K C -0.220 176.377 176.600 -0.004 0.000 1.039 59 K CA -0.577 55.705 56.287 -0.007 0.000 0.928 59 K CB 0.876 33.371 32.500 -0.008 0.000 1.039 59 K HN -0.094 nan 8.250 nan 0.000 0.470 60 I N 4.304 124.871 120.570 -0.004 0.000 2.533 60 I HA -0.029 4.140 4.170 -0.001 0.000 0.284 60 I C 1.158 177.276 176.117 0.002 0.000 1.109 60 I CA 0.405 61.705 61.300 0.001 0.000 1.412 60 I CB 0.479 38.478 38.000 -0.002 0.000 1.396 60 I HN 0.840 nan 8.210 nan 0.000 0.543 61 A N 7.027 129.853 122.820 0.011 0.000 1.901 61 A HA 0.199 4.518 4.320 -0.001 0.000 0.210 61 A C 0.707 178.298 177.584 0.011 0.000 1.208 61 A CA 0.589 52.632 52.037 0.010 0.000 0.644 61 A CB 0.282 19.292 19.000 0.018 0.000 0.863 61 A HN 0.444 nan 8.150 nan 0.000 0.454 62 V N 2.380 122.310 119.914 0.026 0.000 2.462 62 V HA 0.295 4.414 4.120 -0.001 0.000 0.288 62 V C -2.561 173.559 176.094 0.044 0.000 1.020 62 V CA -1.763 60.558 62.300 0.035 0.000 0.857 62 V CB 1.594 33.455 31.823 0.063 0.000 1.013 62 V HN 0.303 nan 8.190 nan 0.000 0.431 63 P HA 0.001 nan 4.420 nan 0.000 0.273 63 P C -0.665 176.668 177.300 0.055 0.000 1.252 63 P CA -0.238 62.877 63.100 0.024 0.000 0.809 63 P CB 1.084 32.779 31.700 -0.008 0.000 1.017 64 K N 0.671 121.105 120.400 0.057 0.000 2.299 64 K HA 0.341 4.661 4.320 -0.001 0.000 0.268 64 K C -1.271 175.370 176.600 0.068 0.000 1.075 64 K CA -0.555 55.782 56.287 0.082 0.000 0.936 64 K CB 0.096 32.653 32.500 0.094 0.000 1.228 64 K HN 0.116 nan 8.250 nan 0.000 0.454 65 V N 3.600 123.550 119.914 0.058 0.000 2.275 65 V HA 0.169 4.288 4.120 -0.001 0.000 0.272 65 V C -0.037 176.079 176.094 0.035 0.000 1.028 65 V CA -0.588 61.729 62.300 0.029 0.000 0.810 65 V CB 0.739 32.549 31.823 -0.021 0.000 1.043 65 V HN 0.756 nan 8.190 nan 0.000 0.453 66 S N 3.495 119.262 115.700 0.111 0.000 2.718 66 S HA 0.655 5.125 4.470 -0.001 0.000 0.300 66 S C 1.336 176.064 174.600 0.214 0.000 1.117 66 S CA 0.210 58.556 58.200 0.245 0.000 1.002 66 S CB 1.874 65.217 63.200 0.238 0.000 1.092 66 S HN 0.770 nan 8.310 nan 0.000 0.542 67 G N 0.898 109.931 108.800 0.388 0.000 2.712 67 G HA2 0.139 4.099 3.960 -0.001 0.000 0.212 67 G HA3 0.139 4.099 3.960 -0.001 0.000 0.212 67 G C 0.432 175.466 174.900 0.224 0.000 1.142 67 G CA 0.092 45.396 45.100 0.341 0.000 0.789 67 G HN 0.586 nan 8.290 nan 0.000 0.535 68 L N 1.084 122.440 121.223 0.222 0.000 2.998 68 L HA 0.355 4.695 4.340 -0.001 0.000 0.234 68 L C 0.247 177.194 176.870 0.128 0.000 1.350 68 L CA 0.136 55.082 54.840 0.178 0.000 1.202 68 L CB 0.047 42.258 42.059 0.254 0.000 1.583 68 L HN 0.116 nan 8.230 nan 0.000 0.456 69 Q N -0.842 119.023 119.800 0.108 0.000 2.345 69 Q HA 0.378 4.717 4.340 -0.001 0.000 0.275 69 Q C -1.324 174.734 176.000 0.097 0.000 1.063 69 Q CA -0.894 54.988 55.803 0.131 0.000 0.819 69 Q CB 2.743 31.569 28.738 0.148 0.000 1.356 69 Q HN 0.058 nan 8.270 nan 0.000 0.418 70 Y N 0.780 121.111 120.300 0.051 0.000 2.379 70 Y HA 0.192 4.741 4.550 -0.001 0.000 0.337 70 Y C 0.487 176.356 175.900 -0.052 0.000 1.238 70 Y CA 0.146 58.255 58.100 0.014 0.000 1.405 70 Y CB 0.685 39.141 38.460 -0.007 0.000 1.310 70 Y HN 0.173 nan 8.280 nan 0.000 0.569 71 R N 2.012 122.506 120.500 -0.010 0.000 2.358 71 R HA 0.380 4.720 4.340 -0.001 0.000 0.309 71 R C -1.771 174.218 176.300 -0.518 0.000 1.026 71 R CA -0.751 55.100 56.100 -0.416 0.000 0.909 71 R CB 0.894 30.742 30.300 -0.753 0.000 1.153 71 R HN 0.411 nan 8.270 nan 0.000 0.515 72 V N 5.227 124.938 119.914 -0.339 0.000 2.333 72 V HA 0.426 4.546 4.120 -0.001 0.000 0.274 72 V C -0.023 175.901 176.094 -0.282 0.000 1.028 72 V CA -0.580 61.619 62.300 -0.169 0.000 0.851 72 V CB 0.633 32.541 31.823 0.141 0.000 1.000 72 V HN 0.426 nan 8.190 nan 0.000 0.456 73 F N 3.950 123.877 119.950 -0.038 0.000 2.410 73 F HA 0.537 5.063 4.527 -0.001 0.000 0.349 73 F C 0.748 176.385 175.800 -0.272 0.000 1.117 73 F CA -0.429 57.500 58.000 -0.118 0.000 1.104 73 F CB 1.223 40.105 39.000 -0.196 0.000 1.122 73 F HN 0.314 nan 8.300 nan 0.000 0.483 74 R N 3.540 123.955 120.500 -0.142 0.000 2.215 74 R HA 0.519 4.859 4.340 -0.001 0.000 0.336 74 R C -1.596 174.508 176.300 -0.326 0.000 0.996 74 R CA -0.442 55.265 56.100 -0.655 0.000 0.847 74 R CB 1.073 31.016 30.300 -0.596 0.000 1.127 74 R HN 0.513 nan 8.270 nan 0.000 0.465 75 V N 6.036 125.734 119.914 -0.359 0.000 2.318 75 V HA 0.201 4.321 4.120 -0.001 0.000 0.271 75 V C 0.140 176.094 176.094 -0.234 0.000 1.030 75 V CA -0.695 61.471 62.300 -0.222 0.000 0.844 75 V CB 1.148 32.811 31.823 -0.267 0.000 1.015 75 V HN 0.536 nan 8.190 nan 0.000 0.460 76 K N 5.467 125.775 120.400 -0.153 0.000 2.349 76 K HA 0.496 4.815 4.320 -0.001 0.000 0.288 76 K C -0.629 175.878 176.600 -0.155 0.000 1.058 76 K CA 0.017 56.226 56.287 -0.130 0.000 0.953 76 K CB 1.106 33.564 32.500 -0.070 0.000 0.997 76 K HN 0.529 nan 8.250 nan 0.000 0.477 77 L N 5.567 126.665 121.223 -0.208 0.000 2.334 77 L HA 0.445 4.785 4.340 -0.001 0.000 0.273 77 L C -1.932 174.732 176.870 -0.344 0.000 1.013 77 L CA -2.272 52.354 54.840 -0.357 0.000 0.816 77 L CB 1.754 43.547 42.059 -0.443 0.000 1.278 77 L HN 0.403 nan 8.230 nan 0.000 0.431 78 P HA -0.076 nan 4.420 nan 0.000 0.266 78 P C -1.012 176.145 177.300 -0.238 0.000 1.195 78 P CA -0.137 62.707 63.100 -0.427 0.000 0.768 78 P CB 0.750 31.956 31.700 -0.823 0.000 0.838 79 D N 4.926 125.256 120.400 -0.117 0.000 2.342 79 D HA 0.025 4.665 4.640 -0.001 0.000 0.260 79 D C -1.074 175.175 176.300 -0.084 0.000 1.278 79 D CA -1.980 51.990 54.000 -0.051 0.000 0.910 79 D CB 0.574 41.386 40.800 0.020 0.000 1.079 79 D HN 0.215 nan 8.370 nan 0.000 0.496 80 P HA -0.153 nan 4.420 nan 0.000 0.224 80 P C 0.723 178.044 177.300 0.036 0.000 1.142 80 P CA 0.627 63.588 63.100 -0.231 0.000 0.778 80 P CB 0.521 31.621 31.700 -1.001 0.000 0.764 81 N N 0.533 119.220 118.700 -0.022 0.000 2.173 81 N HA -0.045 4.695 4.740 -0.001 0.000 0.184 81 N C 1.711 177.279 175.510 0.097 0.000 1.025 81 N CA 0.923 53.990 53.050 0.029 0.000 0.852 81 N CB -0.269 38.206 38.487 -0.020 0.000 0.998 81 N HN 0.279 nan 8.380 nan 0.000 0.427 82 K N 0.433 120.891 120.400 0.097 0.000 2.001 82 K HA -0.126 4.193 4.320 -0.001 0.000 0.214 82 K C 0.702 177.387 176.600 0.143 0.000 1.050 82 K CA 0.716 57.068 56.287 0.109 0.000 0.934 82 K CB -0.527 32.043 32.500 0.117 0.000 0.718 82 K HN 0.010 nan 8.250 nan 0.000 0.443 83 F N 1.157 121.069 119.950 -0.064 0.000 2.626 83 F HA 0.035 4.561 4.527 -0.001 0.000 0.354 83 F C 1.322 176.936 175.800 -0.311 0.000 1.168 83 F CA 0.168 58.029 58.000 -0.232 0.000 1.368 83 F CB 0.223 39.038 39.000 -0.307 0.000 1.092 83 F HN 0.033 nan 8.300 nan 0.000 0.612 84 G N 2.841 111.389 108.800 -0.421 0.000 2.356 84 G HA2 0.552 4.511 3.960 -0.001 0.000 0.322 84 G HA3 0.552 4.511 3.960 -0.001 0.000 0.322 84 G C -1.787 172.779 174.900 -0.556 0.000 1.125 84 G CA -0.374 44.529 45.100 -0.327 0.000 0.885 84 G HN 0.353 nan 8.290 nan 0.000 0.467 85 F N 1.462 121.425 119.950 0.022 0.000 2.588 85 F HA 0.485 5.011 4.527 -0.001 0.000 0.314 85 F C -1.294 174.509 175.800 0.005 0.000 1.069 85 F CA -2.006 56.016 58.000 0.037 0.000 0.931 85 F CB 2.685 41.701 39.000 0.028 0.000 1.260 85 F HN 0.328 nan 8.300 nan 0.000 0.465 86 P HA -0.045 nan 4.420 nan 0.000 0.217 86 P C 0.805 178.113 177.300 0.012 0.000 1.153 86 P CA 1.195 64.342 63.100 0.077 0.000 0.843 86 P CB 0.351 32.100 31.700 0.082 0.000 0.794 87 D N 0.522 120.954 120.400 0.054 0.000 2.348 87 D HA -0.071 4.569 4.640 -0.001 0.000 0.216 87 D C 0.554 176.680 176.300 -0.290 0.000 0.970 87 D CA 0.753 54.728 54.000 -0.042 0.000 0.889 87 D CB -0.528 40.354 40.800 0.136 0.000 0.912 87 D HN 0.118 nan 8.370 nan 0.000 0.524 88 T N -1.571 112.899 114.554 -0.139 0.000 4.309 88 T HA 0.181 4.530 4.350 -0.001 0.000 0.242 88 T C 1.029 175.659 174.700 -0.117 0.000 1.142 88 T CA 0.093 62.105 62.100 -0.147 0.000 1.042 88 T CB -0.039 68.746 68.868 -0.139 0.000 1.366 88 T HN 0.013 nan 8.240 nan 0.000 0.942 89 S N 0.555 115.972 115.700 -0.472 0.000 2.539 89 S HA 0.183 4.652 4.470 -0.001 0.000 0.226 89 S C 0.668 175.124 174.600 -0.240 0.000 1.054 89 S CA -0.722 57.298 58.200 -0.301 0.000 0.910 89 S CB -0.467 62.575 63.200 -0.262 0.000 0.818 89 S HN 0.614 nan 8.310 nan 0.000 0.490 90 F N 1.689 121.701 119.950 0.104 0.000 2.980 90 F HA 0.691 5.217 4.527 -0.001 0.000 0.299 90 F C -0.315 175.564 175.800 0.131 0.000 1.211 90 F CA -2.328 55.724 58.000 0.086 0.000 1.328 90 F CB -1.114 37.923 39.000 0.061 0.000 1.154 90 F HN 0.226 nan 8.300 nan 0.000 0.528 91 Y N 0.779 121.144 120.300 0.108 0.000 2.442 91 Y HA 0.525 5.075 4.550 -0.001 0.000 0.330 91 Y C -2.089 173.816 175.900 0.008 0.000 1.100 91 Y CA -2.073 56.065 58.100 0.064 0.000 1.034 91 Y CB 1.591 40.065 38.460 0.023 0.000 1.285 91 Y HN 0.155 nan 8.280 nan 0.000 0.440 92 D N 8.225 128.262 120.400 -0.604 0.000 2.440 92 D HA 0.407 5.047 4.640 -0.001 0.000 0.239 92 D C -2.277 173.503 176.300 -0.866 0.000 1.084 92 D CA -2.634 51.013 54.000 -0.588 0.000 0.843 92 D CB 2.301 42.946 40.800 -0.258 0.000 1.097 92 D HN 0.373 nan 8.370 nan 0.000 0.531 93 P HA 0.004 nan 4.420 nan 0.000 0.242 93 P C 0.845 177.982 177.300 -0.272 0.000 1.197 93 P CA 0.251 63.010 63.100 -0.568 0.000 0.765 93 P CB 0.428 31.956 31.700 -0.287 0.000 0.936 94 A N 1.388 124.066 122.820 -0.237 0.000 1.872 94 A HA -0.078 4.241 4.320 -0.001 0.000 0.214 94 A C 2.213 179.731 177.584 -0.110 0.000 1.187 94 A CA 2.180 54.138 52.037 -0.132 0.000 0.614 94 A CB -0.931 18.006 19.000 -0.104 0.000 0.826 94 A HN 0.395 nan 8.150 nan 0.000 0.442 95 S N -2.245 113.377 115.700 -0.131 0.000 2.733 95 S HA 0.302 4.772 4.470 -0.001 0.000 0.247 95 S C 0.333 174.889 174.600 -0.073 0.000 1.043 95 S CA -0.501 57.655 58.200 -0.073 0.000 1.066 95 S CB 0.079 63.246 63.200 -0.056 0.000 1.045 95 S HN 0.549 nan 8.310 nan 0.000 0.586 96 Q N 0.479 120.198 119.800 -0.135 0.000 2.351 96 Q HA 0.680 5.020 4.340 -0.001 0.000 0.273 96 Q C -0.927 175.032 176.000 -0.068 0.000 1.077 96 Q CA -1.077 54.690 55.803 -0.060 0.000 0.843 96 Q CB 1.372 30.113 28.738 0.005 0.000 1.367 96 Q HN 0.043 nan 8.270 nan 0.000 0.449 97 R N 0.377 120.792 120.500 -0.142 0.000 2.922 97 R HA 0.661 5.001 4.340 -0.001 0.000 0.256 97 R C -1.308 174.748 176.300 -0.407 0.000 1.138 97 R CA -0.849 54.966 56.100 -0.474 0.000 0.995 97 R CB 1.157 30.687 30.300 -1.282 0.000 1.226 97 R HN 0.570 nan 8.270 nan 0.000 0.481 98 L N 0.609 121.518 121.223 -0.524 0.000 2.401 98 L HA 0.688 5.027 4.340 -0.001 0.000 0.266 98 L C -0.779 175.871 176.870 -0.368 0.000 0.991 98 L CA -1.118 53.440 54.840 -0.470 0.000 0.818 98 L CB 2.398 44.100 42.059 -0.595 0.000 1.321 98 L HN 0.178 nan 8.230 nan 0.000 0.413 99 V N -0.493 119.200 119.914 -0.368 0.000 2.914 99 V HA 0.426 4.546 4.120 -0.001 0.000 0.314 99 V C -1.188 174.620 176.094 -0.478 0.000 1.084 99 V CA -0.847 61.286 62.300 -0.279 0.000 0.963 99 V CB 2.143 33.866 31.823 -0.167 0.000 1.025 99 V HN 0.645 nan 8.190 nan 0.000 0.432 100 W N 1.599 122.740 121.300 -0.265 0.000 2.338 100 W HA 0.683 5.343 4.660 -0.001 0.000 0.307 100 W C 0.299 176.669 176.519 -0.248 0.000 1.167 100 W CA -0.303 56.856 57.345 -0.311 0.000 1.208 100 W CB 1.366 30.506 29.460 -0.534 0.000 1.228 100 W HN 0.739 nan 8.180 nan 0.000 0.499 101 A N 3.751 126.648 122.820 0.128 0.000 2.276 101 A HA 0.461 4.780 4.320 -0.001 0.000 0.316 101 A C -0.663 177.063 177.584 0.236 0.000 1.229 101 A CA -0.637 51.418 52.037 0.030 0.000 0.851 101 A CB 0.544 19.518 19.000 -0.043 0.000 1.165 101 A HN 0.781 nan 8.150 nan 0.000 0.513 102 C N 2.558 121.994 119.300 0.226 0.000 2.514 102 C HA 0.535 4.995 4.460 -0.001 0.000 0.392 102 C C 1.390 176.449 174.990 0.115 0.000 1.294 102 C CA 0.499 59.716 59.018 0.332 0.000 1.957 102 C CB -0.476 27.485 27.740 0.369 0.000 2.541 102 C HN 0.867 nan 8.230 nan 0.000 0.569 103 T N 3.455 118.047 114.554 0.065 0.000 3.000 103 T HA 0.355 4.705 4.350 -0.001 0.000 0.248 103 T C 0.592 175.400 174.700 0.181 0.000 1.034 103 T CA 0.708 62.882 62.100 0.124 0.000 1.060 103 T CB 0.408 69.362 68.868 0.143 0.000 0.983 103 T HN 1.013 nan 8.240 nan 0.000 0.482 104 G N 0.533 109.332 108.800 -0.001 0.000 2.766 104 G HA2 0.560 4.520 3.960 -0.001 0.000 0.297 104 G HA3 0.560 4.520 3.960 -0.001 0.000 0.297 104 G C -1.917 172.767 174.900 -0.359 0.000 1.431 104 G CA -0.330 44.717 45.100 -0.089 0.000 1.042 104 G HN 0.106 nan 8.290 nan 0.000 0.542 105 V N 1.410 121.040 119.914 -0.474 0.000 2.735 105 V HA 0.709 4.828 4.120 -0.001 0.000 0.310 105 V C -0.789 174.868 176.094 -0.730 0.000 1.061 105 V CA -0.805 61.182 62.300 -0.521 0.000 0.913 105 V CB 2.112 33.821 31.823 -0.190 0.000 1.005 105 V HN 0.732 nan 8.190 nan 0.000 0.428 106 E N 2.509 122.249 120.200 -0.766 0.000 2.260 106 E HA 0.450 4.799 4.350 -0.001 0.000 0.266 106 E C -1.756 174.495 176.600 -0.583 0.000 0.887 106 E CA -0.324 55.657 56.400 -0.698 0.000 0.777 106 E CB 2.417 31.781 29.700 -0.560 0.000 1.205 106 E HN 0.394 nan 8.360 nan 0.000 0.414 107 V N 3.395 123.042 119.914 -0.444 0.000 2.250 107 V HA 0.311 4.431 4.120 -0.001 0.000 0.268 107 V C 0.620 176.562 176.094 -0.253 0.000 1.043 107 V CA -0.584 61.533 62.300 -0.304 0.000 0.814 107 V CB 1.147 32.883 31.823 -0.144 0.000 1.072 107 V HN 0.679 nan 8.190 nan 0.000 0.451 108 G N 4.959 113.607 108.800 -0.252 0.000 2.340 108 G HA2 0.356 4.316 3.960 -0.001 0.000 0.245 108 G HA3 0.356 4.316 3.960 -0.001 0.000 0.245 108 G C -0.095 174.666 174.900 -0.232 0.000 1.294 108 G CA -0.287 44.693 45.100 -0.200 0.000 0.896 108 G HN 0.462 nan 8.290 nan 0.000 0.522 109 R N 1.247 121.624 120.500 -0.205 0.000 2.621 109 R HA 0.652 4.992 4.340 -0.001 0.000 0.292 109 R C 0.208 176.408 176.300 -0.166 0.000 0.969 109 R CA -0.549 55.377 56.100 -0.289 0.000 0.887 109 R CB 1.972 32.122 30.300 -0.251 0.000 1.180 109 R HN 0.672 nan 8.270 nan 0.000 0.450 110 G N 0.463 109.164 108.800 -0.165 0.000 3.042 110 G HA2 0.592 4.551 3.960 -0.001 0.000 0.278 110 G HA3 0.592 4.551 3.960 -0.001 0.000 0.278 110 G C -1.232 173.628 174.900 -0.066 0.000 1.371 110 G CA -0.297 44.753 45.100 -0.084 0.000 1.009 110 G HN 0.308 nan 8.290 nan 0.000 0.523 111 Q N -1.132 118.652 119.800 -0.026 0.000 3.218 111 Q HA -0.104 4.236 4.340 -0.001 0.000 0.025 111 Q C -2.639 173.364 176.000 0.006 0.000 1.707 111 Q CA -0.033 55.770 55.803 0.000 0.000 0.237 111 Q CB -1.270 27.477 28.738 0.014 0.000 0.924 111 Q HN 0.697 nan 8.270 nan 0.000 0.321 112 P HA 0.269 nan 4.420 nan 0.000 0.274 112 P C -0.168 177.146 177.300 0.023 0.000 1.237 112 P CA -0.559 62.550 63.100 0.015 0.000 0.793 112 P CB 0.604 32.311 31.700 0.012 0.000 0.977 113 L N 0.920 122.157 121.223 0.023 0.000 2.472 113 L HA 0.595 4.934 4.340 -0.001 0.000 0.260 113 L C 1.265 178.150 176.870 0.024 0.000 1.209 113 L CA 1.388 56.248 54.840 0.032 0.000 0.817 113 L CB -0.030 42.048 42.059 0.032 0.000 1.106 113 L HN 0.892 nan 8.230 nan 0.000 0.479 114 G N 0.051 108.866 108.800 0.026 0.000 2.315 114 G HA2 0.494 4.454 3.960 -0.001 0.000 0.294 114 G HA3 0.494 4.454 3.960 -0.001 0.000 0.294 114 G C -1.817 173.087 174.900 0.006 0.000 1.300 114 G CA -0.068 45.037 45.100 0.009 0.000 0.843 114 G HN 0.890 nan 8.290 nan 0.000 0.527 115 V N -1.481 118.426 119.914 -0.012 0.000 2.789 115 V HA 0.993 5.113 4.120 -0.001 0.000 0.311 115 V C 0.688 176.755 176.094 -0.046 0.000 1.073 115 V CA 0.439 62.734 62.300 -0.007 0.000 0.921 115 V CB 1.341 33.172 31.823 0.013 0.000 1.009 115 V HN 1.904 nan 8.190 nan 0.000 0.426 116 G N 2.614 111.384 108.800 -0.050 0.000 2.582 116 G HA2 0.737 4.696 3.960 -0.001 0.000 0.232 116 G HA3 0.737 4.696 3.960 -0.001 0.000 0.232 116 G C -0.432 174.422 174.900 -0.076 0.000 1.458 116 G CA -0.153 44.897 45.100 -0.085 0.000 1.062 116 G HN 1.783 nan 8.290 nan 0.000 0.566 117 I N -1.267 119.252 120.570 -0.085 0.000 2.748 117 I HA 0.303 4.473 4.170 -0.001 0.000 0.283 117 I C -1.387 174.661 176.117 -0.115 0.000 1.653 117 I CA -0.390 60.830 61.300 -0.132 0.000 1.093 117 I CB 0.917 38.875 38.000 -0.070 0.000 1.545 117 I HN 0.472 nan 8.210 nan 0.000 0.429 118 S N 4.686 120.182 115.700 -0.340 0.000 2.568 118 S HA 1.016 5.486 4.470 -0.001 0.000 0.302 118 S C -0.016 174.360 174.600 -0.374 0.000 1.082 118 S CA -0.207 57.727 58.200 -0.444 0.000 1.009 118 S CB 1.945 64.803 63.200 -0.569 0.000 1.069 118 S HN 0.976 nan 8.310 nan 0.000 0.500 119 G N 0.231 108.783 108.800 -0.413 0.000 2.782 119 G HA2 0.618 4.578 3.960 -0.001 0.000 0.304 119 G HA3 0.618 4.578 3.960 -0.001 0.000 0.304 119 G C -1.959 172.862 174.900 -0.131 0.000 1.315 119 G CA -0.406 44.576 45.100 -0.197 0.000 0.791 119 G HN 0.677 nan 8.290 nan 0.000 0.519 120 H N -0.139 118.844 119.070 -0.145 0.000 3.235 120 H HA 0.305 4.861 4.556 -0.000 0.000 0.324 120 H C -2.326 172.963 175.328 -0.065 0.000 1.059 120 H CA -1.051 54.932 56.048 -0.109 0.000 1.497 120 H CB 2.563 32.258 29.762 -0.113 0.000 1.986 120 H HN 0.136 nan 8.280 nan 0.000 0.444 121 P HA -0.137 nan 4.420 nan 0.000 0.218 121 P C 0.318 177.733 177.300 0.193 0.000 1.152 121 P CA 1.433 64.587 63.100 0.089 0.000 0.857 121 P CB 0.290 31.991 31.700 0.001 0.000 0.787 122 L N -1.910 119.591 121.223 0.464 0.000 2.732 122 L HA 0.269 4.609 4.340 -0.001 0.000 0.246 122 L C -0.082 176.713 176.870 -0.125 0.000 1.407 122 L CA -0.920 54.012 54.840 0.154 0.000 0.861 122 L CB 0.392 42.527 42.059 0.127 0.000 1.161 122 L HN -0.098 nan 8.230 nan 0.000 0.510 123 L N 1.379 122.530 121.223 -0.120 0.000 2.456 123 L HA 0.124 4.463 4.340 -0.001 0.000 0.272 123 L C 0.667 177.425 176.870 -0.187 0.000 1.189 123 L CA 0.400 55.078 54.840 -0.271 0.000 0.846 123 L CB 0.502 42.480 42.059 -0.135 0.000 1.111 123 L HN 0.340 nan 8.230 nan 0.000 0.475 124 N N 4.751 123.315 118.700 -0.225 0.000 2.448 124 N HA 0.182 4.921 4.740 -0.001 0.000 0.250 124 N C -1.179 174.285 175.510 -0.076 0.000 1.136 124 N CA -0.031 52.930 53.050 -0.149 0.000 0.953 124 N CB 0.061 38.440 38.487 -0.179 0.000 1.251 124 N HN 0.447 nan 8.380 nan 0.000 0.502 125 K N 4.630 125.039 120.400 0.015 0.000 2.535 125 K HA 0.171 4.491 4.320 -0.001 0.000 0.250 125 K C -0.593 176.078 176.600 0.118 0.000 0.948 125 K CA -0.584 55.791 56.287 0.146 0.000 0.796 125 K CB 1.430 33.916 32.500 -0.024 0.000 1.216 125 K HN 0.372 nan 8.250 nan 0.000 0.432 126 L N 3.411 124.749 121.223 0.192 0.000 2.129 126 L HA 0.219 4.558 4.340 -0.001 0.000 0.200 126 L C -0.189 176.778 176.870 0.162 0.000 1.159 126 L CA 1.757 56.682 54.840 0.141 0.000 0.795 126 L CB -0.115 42.026 42.059 0.137 0.000 0.951 126 L HN 0.874 nan 8.230 nan 0.000 0.463 127 D N -2.417 118.111 120.400 0.214 0.000 2.636 127 D HA 0.278 4.917 4.640 -0.001 0.000 0.275 127 D C -1.517 174.962 176.300 0.298 0.000 1.130 127 D CA -0.598 53.533 54.000 0.218 0.000 1.031 127 D CB 0.276 41.165 40.800 0.148 0.000 1.451 127 D HN 0.014 nan 8.370 nan 0.000 0.505 128 D N -0.443 120.103 120.400 0.242 0.000 2.393 128 D HA 0.238 4.878 4.640 -0.001 0.000 0.232 128 D C 0.140 176.453 176.300 0.022 0.000 1.192 128 D CA -0.398 53.677 54.000 0.126 0.000 0.882 128 D CB 0.416 41.287 40.800 0.118 0.000 1.038 128 D HN 0.371 nan 8.370 nan 0.000 0.499 129 T N 0.337 114.886 114.554 -0.009 0.000 3.284 129 T HA 0.143 4.493 4.350 -0.001 0.000 0.249 129 T C 0.976 175.631 174.700 -0.074 0.000 0.944 129 T CA -0.435 61.678 62.100 0.021 0.000 0.919 129 T CB 0.140 69.101 68.868 0.155 0.000 1.089 129 T HN 0.486 nan 8.240 nan 0.000 0.576 130 E N 1.341 121.464 120.200 -0.128 0.000 2.127 130 E HA 0.058 4.407 4.350 -0.001 0.000 0.191 130 E C 0.932 177.468 176.600 -0.108 0.000 0.964 130 E CA 0.246 56.549 56.400 -0.162 0.000 0.832 130 E CB 0.324 29.881 29.700 -0.238 0.000 0.790 130 E HN 0.431 nan 8.360 nan 0.000 0.465 131 N N 0.195 118.849 118.700 -0.076 0.000 2.550 131 N HA 0.023 4.762 4.740 -0.001 0.000 0.277 131 N C -1.464 174.038 175.510 -0.014 0.000 1.595 131 N CA 0.053 53.075 53.050 -0.047 0.000 0.888 131 N CB 0.576 39.031 38.487 -0.055 0.000 1.424 131 N HN 0.064 nan 8.380 nan 0.000 0.501 132 S N -0.114 115.589 115.700 0.004 0.000 2.536 132 S HA -0.097 4.373 4.470 -0.001 0.000 0.294 132 S C 1.325 175.945 174.600 0.033 0.000 1.289 132 S CA 0.721 58.942 58.200 0.034 0.000 1.035 132 S CB 0.296 63.532 63.200 0.059 0.000 0.783 132 S HN 0.527 nan 8.310 nan 0.000 0.497 133 N N 2.904 121.629 118.700 0.040 0.000 2.081 133 N HA 0.020 4.760 4.740 -0.001 0.000 0.191 133 N C 0.729 176.266 175.510 0.046 0.000 1.053 133 N CA 0.566 53.638 53.050 0.036 0.000 0.846 133 N CB -0.057 38.450 38.487 0.033 0.000 1.032 133 N HN 0.479 nan 8.380 nan 0.000 0.431 134 K N -0.535 119.902 120.400 0.061 0.000 1.725 134 K HA 0.222 4.541 4.320 -0.001 0.000 0.292 134 K C -1.375 175.319 176.600 0.157 0.000 0.876 134 K CA -0.503 55.838 56.287 0.090 0.000 0.564 134 K CB -0.082 32.460 32.500 0.069 0.000 3.053 134 K HN 0.019 nan 8.250 nan 0.000 1.082 135 Y N 1.846 122.159 120.300 0.021 0.000 2.327 135 Y HA 0.432 4.982 4.550 -0.000 0.000 0.325 135 Y C -1.327 174.585 175.900 0.020 0.000 0.999 135 Y CA -0.932 57.181 58.100 0.022 0.000 1.195 135 Y CB 0.896 39.368 38.460 0.020 0.000 1.132 135 Y HN 0.121 nan 8.280 nan 0.000 0.455 136 V N 5.648 125.302 119.914 -0.433 0.000 2.532 136 V HA 0.690 4.809 4.120 -0.001 0.000 0.295 136 V C 1.041 176.765 176.094 -0.617 0.000 1.041 136 V CA -0.421 61.617 62.300 -0.435 0.000 0.926 136 V CB 1.340 33.061 31.823 -0.170 0.000 0.992 136 V HN 1.007 nan 8.190 nan 0.000 0.457 137 G N 2.340 110.860 108.800 -0.466 0.000 2.794 137 G HA2 0.016 3.976 3.960 -0.001 0.000 0.249 137 G HA3 0.016 3.976 3.960 -0.001 0.000 0.249 137 G C 0.033 174.835 174.900 -0.165 0.000 1.236 137 G CA -0.441 44.459 45.100 -0.334 0.000 0.880 137 G HN 0.833 nan 8.290 nan 0.000 0.586 138 N N 0.156 118.828 118.700 -0.048 0.000 2.294 138 N HA 0.131 4.870 4.740 -0.001 0.000 0.263 138 N C 1.035 176.536 175.510 -0.015 0.000 1.281 138 N CA 0.638 53.688 53.050 0.001 0.000 0.846 138 N CB 0.582 39.084 38.487 0.026 0.000 1.061 138 N HN 0.644 nan 8.380 nan 0.000 0.478 139 S N 0.892 116.590 115.700 -0.005 0.000 2.587 139 S HA 0.499 4.968 4.470 -0.001 0.000 0.252 139 S C 0.945 175.544 174.600 -0.002 0.000 1.282 139 S CA -0.349 57.848 58.200 -0.006 0.000 0.977 139 S CB 0.098 63.301 63.200 0.005 0.000 1.015 139 S HN 0.551 nan 8.310 nan 0.000 0.557 140 G N -0.877 107.923 108.800 -0.001 0.000 2.736 140 G HA2 0.549 4.509 3.960 -0.001 0.000 0.229 140 G HA3 0.549 4.509 3.960 -0.001 0.000 0.229 140 G C -0.744 174.157 174.900 0.001 0.000 1.380 140 G CA -0.699 44.401 45.100 -0.000 0.000 1.040 140 G HN 0.709 nan 8.290 nan 0.000 0.568 141 T N 0.565 115.120 114.554 0.001 0.000 2.909 141 T HA 0.404 4.754 4.350 -0.001 0.000 0.286 141 T C -0.436 174.264 174.700 -0.000 0.000 1.002 141 T CA 0.398 62.498 62.100 -0.000 0.000 1.074 141 T CB 1.041 69.909 68.868 -0.001 0.000 0.984 141 T HN 0.602 nan 8.240 nan 0.000 0.495 142 D N 1.813 122.211 120.400 -0.003 0.000 3.278 142 D HA -0.145 4.494 4.640 -0.001 0.000 0.233 142 D C -0.191 176.109 176.300 0.000 0.000 1.149 142 D CA 0.321 54.319 54.000 -0.003 0.000 0.957 142 D CB -0.973 39.827 40.800 -0.001 0.000 0.913 142 D HN 0.579 nan 8.370 nan 0.000 0.409 143 N N 1.193 119.893 118.700 0.000 0.000 2.279 143 N HA 0.111 4.851 4.740 -0.001 0.000 0.226 143 N C 0.112 175.624 175.510 0.004 0.000 1.126 143 N CA -0.331 52.723 53.050 0.007 0.000 0.846 143 N CB 0.481 38.978 38.487 0.017 0.000 1.050 143 N HN 0.250 nan 8.380 nan 0.000 0.502 144 R N 1.368 121.864 120.500 -0.007 0.000 2.543 144 R HA 0.182 4.522 4.340 -0.001 0.000 0.277 144 R C 0.307 176.602 176.300 -0.009 0.000 1.074 144 R CA 0.114 56.201 56.100 -0.021 0.000 1.076 144 R CB 0.490 30.770 30.300 -0.033 0.000 0.993 144 R HN 0.426 nan 8.270 nan 0.000 0.459 145 E N 0.926 121.116 120.200 -0.017 0.000 2.416 145 E HA 0.261 4.610 4.350 -0.001 0.000 0.273 145 E C -1.186 175.413 176.600 -0.001 0.000 0.935 145 E CA -1.076 55.320 56.400 -0.006 0.000 0.784 145 E CB 1.529 31.224 29.700 -0.007 0.000 1.301 145 E HN 0.482 nan 8.360 nan 0.000 0.454 146 C N 2.465 121.770 119.300 0.009 0.000 2.482 146 C HA 0.616 5.076 4.460 -0.001 0.000 0.378 146 C C -0.298 174.687 174.990 -0.009 0.000 1.284 146 C CA -0.063 58.965 59.018 0.017 0.000 1.826 146 C CB -1.836 25.915 27.740 0.019 0.000 2.473 146 C HN 0.577 nan 8.230 nan 0.000 0.562 147 I N 5.854 126.415 120.570 -0.015 0.000 2.692 147 I HA 0.402 4.572 4.170 -0.001 0.000 0.293 147 I C -0.023 176.071 176.117 -0.038 0.000 1.200 147 I CA 0.064 61.337 61.300 -0.044 0.000 1.036 147 I CB 2.589 40.531 38.000 -0.097 0.000 1.258 147 I HN 0.772 nan 8.210 nan 0.000 0.421 148 S N 6.558 122.228 115.700 -0.049 0.000 2.689 148 S HA 0.982 5.452 4.470 -0.001 0.000 0.306 148 S C -0.571 173.990 174.600 -0.065 0.000 1.104 148 S CA -0.686 57.471 58.200 -0.072 0.000 0.973 148 S CB 2.387 65.549 63.200 -0.063 0.000 1.121 148 S HN 0.713 nan 8.310 nan 0.000 0.523 149 M N -0.345 119.194 119.600 -0.102 0.000 2.956 149 M HA 0.440 4.920 4.480 -0.001 0.000 0.272 149 M C -2.656 173.539 176.300 -0.175 0.000 1.132 149 M CA -0.767 54.487 55.300 -0.078 0.000 0.805 149 M CB 1.761 34.386 32.600 0.041 0.000 1.639 149 M HN 0.745 nan 8.290 nan 0.000 0.520 150 D N 1.435 121.774 120.400 -0.101 0.000 2.425 150 D HA 0.415 5.055 4.640 -0.001 0.000 0.240 150 D C -1.105 175.218 176.300 0.039 0.000 1.080 150 D CA -0.258 53.681 54.000 -0.101 0.000 0.836 150 D CB 1.080 41.853 40.800 -0.045 0.000 1.125 150 D HN 0.702 nan 8.370 nan 0.000 0.525 151 Y N 0.762 121.099 120.300 0.061 0.000 2.245 151 Y HA -0.023 4.527 4.550 -0.001 0.000 0.355 151 Y C 1.630 177.561 175.900 0.051 0.000 1.278 151 Y CA -0.745 57.407 58.100 0.085 0.000 1.593 151 Y CB 0.863 39.389 38.460 0.110 0.000 1.393 151 Y HN 0.271 nan 8.280 nan 0.000 0.662 152 K N 1.984 122.532 120.400 0.247 0.000 2.326 152 K HA 0.004 4.324 4.320 -0.001 0.000 0.275 152 K C -0.557 176.127 176.600 0.140 0.000 1.018 152 K CA -0.487 55.882 56.287 0.138 0.000 0.962 152 K CB 0.745 33.315 32.500 0.117 0.000 0.953 152 K HN 0.721 nan 8.250 nan 0.000 0.475 153 Q N 2.963 122.830 119.800 0.111 0.000 2.267 153 Q HA 0.193 4.533 4.340 -0.001 0.000 0.255 153 Q C -1.327 174.731 176.000 0.096 0.000 0.923 153 Q CA -0.289 55.578 55.803 0.106 0.000 0.925 153 Q CB 1.203 29.995 28.738 0.090 0.000 1.195 153 Q HN 0.632 nan 8.270 nan 0.000 0.417 154 T N 3.390 118.001 114.554 0.095 0.000 2.907 154 T HA 0.409 4.758 4.350 -0.001 0.000 0.292 154 T C -0.813 173.931 174.700 0.074 0.000 1.043 154 T CA -0.780 61.368 62.100 0.080 0.000 1.003 154 T CB 1.705 70.618 68.868 0.075 0.000 1.084 154 T HN 0.652 nan 8.240 nan 0.000 0.483 155 Q N 1.913 121.740 119.800 0.046 0.000 2.878 155 Q HA 0.453 4.792 4.340 -0.001 0.000 0.232 155 Q C -1.063 174.956 176.000 0.032 0.000 0.893 155 Q CA -0.447 55.363 55.803 0.011 0.000 0.742 155 Q CB 0.926 29.561 28.738 -0.172 0.000 1.354 155 Q HN 0.670 nan 8.270 nan 0.000 0.466 156 L N -1.966 119.362 121.223 0.176 0.000 2.271 156 L HA 0.982 5.322 4.340 -0.001 0.000 0.265 156 L C -0.669 176.436 176.870 0.392 0.000 1.013 156 L CA -0.910 54.054 54.840 0.206 0.000 0.820 156 L CB 2.238 44.409 42.059 0.187 0.000 1.352 156 L HN 0.432 nan 8.230 nan 0.000 0.443 157 C N 1.902 121.397 119.300 0.324 0.000 3.226 157 C HA 0.548 5.008 4.460 -0.001 0.000 0.365 157 C C -0.866 174.297 174.990 0.288 0.000 1.027 157 C CA -0.600 58.650 59.018 0.387 0.000 1.319 157 C CB -0.631 27.415 27.740 0.510 0.000 1.718 157 C HN 0.759 nan 8.230 nan 0.000 0.554 158 L N 5.789 127.157 121.223 0.241 0.000 2.289 158 L HA 0.687 5.027 4.340 -0.001 0.000 0.285 158 L C -0.285 176.714 176.870 0.215 0.000 1.049 158 L CA -0.596 54.363 54.840 0.198 0.000 0.804 158 L CB 0.975 43.075 42.059 0.067 0.000 1.195 158 L HN 0.330 nan 8.230 nan 0.000 0.428 159 I N 2.829 123.560 120.570 0.269 0.000 2.354 159 I HA 0.631 4.801 4.170 -0.001 0.000 0.286 159 I C 0.575 176.583 176.117 -0.182 0.000 1.007 159 I CA -0.183 61.248 61.300 0.218 0.000 1.167 159 I CB 0.699 38.972 38.000 0.454 0.000 1.320 159 I HN 0.729 nan 8.210 nan 0.000 0.458 160 G N 3.567 112.165 108.800 -0.337 0.000 2.798 160 G HA2 0.449 4.409 3.960 -0.001 0.000 0.286 160 G HA3 0.449 4.409 3.960 -0.001 0.000 0.286 160 G C 0.219 174.937 174.900 -0.305 0.000 1.389 160 G CA -0.348 44.231 45.100 -0.868 0.000 0.894 160 G HN 0.636 nan 8.290 nan 0.000 0.488 161 C N -0.986 118.222 119.300 -0.152 0.000 2.906 161 C HA 0.568 5.027 4.460 -0.001 0.000 0.274 161 C C 0.601 175.732 174.990 0.235 0.000 1.257 161 C CA -0.708 58.445 59.018 0.225 0.000 1.695 161 C CB -1.188 26.766 27.740 0.356 0.000 1.958 161 C HN 0.435 nan 8.230 nan 0.000 0.619 162 R N 1.780 122.261 120.500 -0.032 0.000 2.803 162 R HA 0.555 4.895 4.340 -0.001 0.000 0.276 162 R C -2.885 172.940 176.300 -0.792 0.000 0.978 162 R CA -1.653 54.254 56.100 -0.321 0.000 0.939 162 R CB 1.462 31.666 30.300 -0.161 0.000 1.179 162 R HN 0.183 nan 8.270 nan 0.000 0.472 163 P HA 0.145 nan 4.420 nan 0.000 0.275 163 P C -2.497 174.479 177.300 -0.540 0.000 1.227 163 P CA -1.356 61.022 63.100 -1.203 0.000 0.781 163 P CB 0.608 31.600 31.700 -1.179 0.000 0.906 164 P HA 0.221 nan 4.420 nan 0.000 0.276 164 P C 0.021 177.150 177.300 -0.285 0.000 1.252 164 P CA -0.245 62.682 63.100 -0.289 0.000 0.802 164 P CB 0.882 32.432 31.700 -0.249 0.000 1.035 165 I N -2.038 118.380 120.570 -0.254 0.000 3.062 165 I HA 0.859 5.029 4.170 -0.001 0.000 0.316 165 I C 0.098 176.065 176.117 -0.249 0.000 1.041 165 I CA -0.954 60.204 61.300 -0.236 0.000 1.069 165 I CB 1.581 39.471 38.000 -0.184 0.000 1.300 165 I HN 0.349 nan 8.210 nan 0.000 0.518 166 G N 1.365 110.039 108.800 -0.210 0.000 2.533 166 G HA2 0.641 4.600 3.960 -0.001 0.000 0.304 166 G HA3 0.641 4.600 3.960 -0.001 0.000 0.304 166 G C -1.674 173.176 174.900 -0.085 0.000 1.263 166 G CA -0.757 44.237 45.100 -0.176 0.000 0.964 166 G HN 0.862 nan 8.290 nan 0.000 0.479 167 E N -0.095 120.084 120.200 -0.035 0.000 2.212 167 E HA 0.652 5.002 4.350 -0.001 0.000 0.268 167 E C -1.014 175.571 176.600 -0.025 0.000 0.902 167 E CA -0.993 55.360 56.400 -0.078 0.000 0.779 167 E CB 2.164 31.779 29.700 -0.141 0.000 1.172 167 E HN 0.717 nan 8.360 nan 0.000 0.409 168 H N 0.765 119.709 119.070 -0.210 0.000 3.046 168 H HA 0.245 4.801 4.556 -0.001 0.000 0.361 168 H C -1.799 173.408 175.328 -0.202 0.000 1.235 168 H CA -1.295 54.651 56.048 -0.169 0.000 1.146 168 H CB 0.522 30.274 29.762 -0.016 0.000 1.859 168 H HN 0.697 nan 8.280 nan 0.000 0.548 169 W N 1.725 122.995 121.300 -0.050 0.000 2.345 169 W HA 0.530 5.190 4.660 -0.000 0.000 0.308 169 W C 0.547 176.976 176.519 -0.150 0.000 1.273 169 W CA -0.001 57.265 57.345 -0.132 0.000 1.243 169 W CB 1.486 30.907 29.460 -0.066 0.000 1.260 169 W HN 0.823 nan 8.180 nan 0.000 0.509 170 G N 2.408 111.227 108.800 0.032 0.000 2.630 170 G HA2 0.363 4.323 3.960 -0.001 0.000 0.296 170 G HA3 0.363 4.323 3.960 -0.001 0.000 0.296 170 G C -1.484 173.458 174.900 0.070 0.000 1.285 170 G CA -1.205 43.924 45.100 0.048 0.000 0.958 170 G HN 0.296 nan 8.290 nan 0.000 0.479 171 K N 0.186 120.623 120.400 0.061 0.000 2.430 171 K HA 0.333 4.653 4.320 -0.001 0.000 0.280 171 K C 0.639 177.260 176.600 0.034 0.000 1.063 171 K CA 0.194 56.505 56.287 0.040 0.000 1.071 171 K CB -0.082 32.439 32.500 0.035 0.000 0.899 171 K HN 0.517 nan 8.250 nan 0.000 0.473 172 G N 2.414 111.232 108.800 0.030 0.000 2.434 172 G HA2 0.218 4.178 3.960 -0.001 0.000 0.330 172 G HA3 0.218 4.178 3.960 -0.001 0.000 0.330 172 G C -0.814 174.096 174.900 0.017 0.000 1.155 172 G CA -0.670 44.446 45.100 0.026 0.000 0.917 172 G HN 0.586 nan 8.290 nan 0.000 0.493 173 T N 3.176 117.738 114.554 0.014 0.000 2.779 173 T HA 0.359 4.709 4.350 -0.001 0.000 0.296 173 T C -1.340 173.365 174.700 0.007 0.000 0.938 173 T CA -0.513 61.593 62.100 0.010 0.000 1.119 173 T CB 1.032 69.905 68.868 0.009 0.000 0.891 173 T HN 0.494 nan 8.240 nan 0.000 0.526 174 P HA 0.239 nan 4.420 nan 0.000 0.273 174 P C 0.045 177.347 177.300 0.003 0.000 1.250 174 P CA -0.591 62.510 63.100 0.002 0.000 0.793 174 P CB 0.518 32.218 31.700 -0.000 0.000 1.011 175 S N -0.359 115.342 115.700 0.002 0.000 2.686 175 S HA 0.121 4.591 4.470 -0.001 0.000 0.270 175 S C 0.618 175.219 174.600 0.001 0.000 1.194 175 S CA -0.809 57.393 58.200 0.002 0.000 0.990 175 S CB 0.041 63.242 63.200 0.002 0.000 1.029 175 S HN 0.527 nan 8.310 nan 0.000 0.560 176 N N 1.369 120.070 118.700 0.001 0.000 2.814 176 N HA 0.249 4.988 4.740 -0.001 0.000 0.304 176 N C -0.043 175.467 175.510 0.000 0.000 1.211 176 N CA 0.402 53.453 53.050 0.001 0.000 1.158 176 N CB -0.893 37.595 38.487 0.001 0.000 1.458 176 N HN 0.703 nan 8.380 nan 0.000 0.519 177 A N 2.386 125.206 122.820 -0.000 0.000 3.972 177 A HA 0.370 4.689 4.320 -0.001 0.000 0.166 177 A C -0.210 177.373 177.584 -0.001 0.000 0.722 177 A CA -0.461 51.575 52.037 -0.001 0.000 1.045 177 A CB 0.193 19.192 19.000 -0.001 0.000 1.949 177 A HN 0.454 nan 8.150 nan 0.000 0.853 178 N N 1.166 119.865 118.700 -0.001 0.000 2.326 178 N HA 0.307 5.047 4.740 -0.001 0.000 0.239 178 N C -0.150 175.359 175.510 -0.002 0.000 1.301 178 N CA 0.051 53.100 53.050 -0.002 0.000 0.909 178 N CB 0.204 38.689 38.487 -0.002 0.000 1.156 178 N HN 0.558 nan 8.380 nan 0.000 0.462 179 Q N 0.913 120.712 119.800 -0.002 0.000 2.303 179 Q HA 0.224 4.564 4.340 -0.001 0.000 0.257 179 Q C -1.062 174.937 176.000 -0.002 0.000 0.941 179 Q CA -0.628 55.174 55.803 -0.001 0.000 0.931 179 Q CB 0.661 29.398 28.738 -0.001 0.000 1.215 179 Q HN 0.409 nan 8.270 nan 0.000 0.437 180 V N 6.578 126.490 119.914 -0.002 0.000 2.220 180 V HA -0.048 4.072 4.120 -0.001 0.000 0.236 180 V C 0.793 176.885 176.094 -0.003 0.000 1.314 180 V CA -0.218 62.079 62.300 -0.004 0.000 1.349 180 V CB -1.536 30.284 31.823 -0.004 0.000 1.428 180 V HN 0.635 nan 8.190 nan 0.000 0.495 181 K N 2.593 122.992 120.400 -0.003 0.000 2.339 181 K HA 0.201 4.520 4.320 -0.001 0.000 0.260 181 K C 0.392 176.990 176.600 -0.003 0.000 0.989 181 K CA 0.463 56.748 56.287 -0.003 0.000 0.888 181 K CB 0.216 32.715 32.500 -0.002 0.000 0.983 181 K HN 0.463 nan 8.250 nan 0.000 0.515 182 A N 0.032 122.851 122.820 -0.003 0.000 2.565 182 A HA 0.387 4.707 4.320 -0.001 0.000 0.237 182 A C 1.421 179.002 177.584 -0.005 0.000 1.053 182 A CA 0.976 53.011 52.037 -0.003 0.000 0.755 182 A CB -1.106 17.893 19.000 -0.003 0.000 0.980 182 A HN 1.372 nan 8.150 nan 0.000 0.506 183 G N 1.063 109.859 108.800 -0.007 0.000 2.399 183 G HA2 -0.201 3.759 3.960 -0.001 0.000 0.216 183 G HA3 -0.201 3.759 3.960 -0.001 0.000 0.216 183 G C 0.362 175.256 174.900 -0.011 0.000 1.096 183 G CA 0.298 45.392 45.100 -0.009 0.000 0.650 183 G HN 0.860 nan 8.290 nan 0.000 0.512 184 E N 0.249 120.443 120.200 -0.010 0.000 2.485 184 E HA 0.217 4.567 4.350 -0.001 0.000 0.266 184 E C 0.630 177.220 176.600 -0.016 0.000 1.137 184 E CA 0.073 56.465 56.400 -0.012 0.000 1.010 184 E CB 0.442 30.136 29.700 -0.010 0.000 0.986 184 E HN 0.661 nan 8.360 nan 0.000 0.460 185 C N 4.700 123.987 119.300 -0.021 0.000 2.246 185 C HA 0.398 4.858 4.460 -0.001 0.000 0.329 185 C C -2.011 172.962 174.990 -0.028 0.000 1.221 185 C CA -1.702 57.299 59.018 -0.028 0.000 1.697 185 C CB -0.620 27.098 27.740 -0.036 0.000 2.312 185 C HN 0.378 nan 8.230 nan 0.000 0.509 186 P HA 0.305 nan 4.420 nan 0.000 0.275 186 P C -2.709 174.575 177.300 -0.028 0.000 1.227 186 P CA -0.987 62.101 63.100 -0.019 0.000 0.781 186 P CB 0.462 32.155 31.700 -0.011 0.000 0.906 187 P HA 0.118 nan 4.420 nan 0.000 0.276 187 P C -0.224 177.068 177.300 -0.013 0.000 1.235 187 P CA -0.077 63.007 63.100 -0.027 0.000 0.772 187 P CB 0.472 32.165 31.700 -0.013 0.000 0.871 188 L N 2.306 123.505 121.223 -0.040 0.000 2.439 188 L HA 0.442 4.782 4.340 -0.001 0.000 0.261 188 L C 0.838 177.783 176.870 0.125 0.000 1.153 188 L CA 0.116 54.965 54.840 0.015 0.000 0.808 188 L CB -0.435 41.562 42.059 -0.103 0.000 1.126 188 L HN 0.528 nan 8.230 nan 0.000 0.460 189 E N 0.961 121.311 120.200 0.250 0.000 2.290 189 E HA 0.308 4.657 4.350 -0.001 0.000 0.274 189 E C -1.593 175.106 176.600 0.165 0.000 0.889 189 E CA -0.828 55.706 56.400 0.224 0.000 0.760 189 E CB 2.619 32.364 29.700 0.077 0.000 1.206 189 E HN 0.406 nan 8.360 nan 0.000 0.419 190 L N 6.013 127.243 121.223 0.012 0.000 2.295 190 L HA 0.362 4.701 4.340 -0.001 0.000 0.288 190 L C -1.431 175.240 176.870 -0.333 0.000 1.079 190 L CA 0.081 54.646 54.840 -0.457 0.000 0.830 190 L CB 0.167 41.805 42.059 -0.701 0.000 1.200 190 L HN 0.463 nan 8.230 nan 0.000 0.438 191 L N 5.099 126.076 121.223 -0.410 0.000 2.309 191 L HA 0.473 4.813 4.340 -0.001 0.000 0.282 191 L C 0.123 176.866 176.870 -0.213 0.000 1.036 191 L CA -0.723 53.944 54.840 -0.288 0.000 0.806 191 L CB 1.163 43.014 42.059 -0.346 0.000 1.220 191 L HN 0.565 nan 8.230 nan 0.000 0.429 192 N N 1.260 119.887 118.700 -0.122 0.000 2.525 192 N HA 0.320 5.060 4.740 -0.001 0.000 0.271 192 N C -0.257 175.237 175.510 -0.027 0.000 1.194 192 N CA 0.122 53.126 53.050 -0.077 0.000 0.964 192 N CB 1.701 40.143 38.487 -0.075 0.000 1.126 192 N HN 0.618 nan 8.380 nan 0.000 0.452 193 T N -0.957 113.573 114.554 -0.040 0.000 2.840 193 T HA 0.312 4.662 4.350 -0.001 0.000 0.317 193 T C -1.255 173.351 174.700 -0.157 0.000 1.401 193 T CA -0.642 61.429 62.100 -0.048 0.000 1.028 193 T CB 0.797 69.675 68.868 0.017 0.000 1.317 193 T HN 0.020 nan 8.240 nan 0.000 0.495 194 V N 4.501 124.272 119.914 -0.238 0.000 2.498 194 V HA 0.396 4.516 4.120 -0.001 0.000 0.279 194 V C 0.439 176.332 176.094 -0.335 0.000 1.048 194 V CA -0.613 61.456 62.300 -0.386 0.000 0.967 194 V CB 1.019 32.360 31.823 -0.804 0.000 0.988 194 V HN 0.749 nan 8.190 nan 0.000 0.473 195 L N 6.257 127.293 121.223 -0.312 0.000 2.410 195 L HA 0.324 4.664 4.340 -0.001 0.000 0.273 195 L C 0.196 176.994 176.870 -0.121 0.000 1.144 195 L CA 0.329 54.969 54.840 -0.334 0.000 0.863 195 L CB 0.274 42.093 42.059 -0.401 0.000 1.140 195 L HN 0.678 nan 8.230 nan 0.000 0.463 196 Q N 1.537 121.278 119.800 -0.098 0.000 2.413 196 Q HA 0.232 4.572 4.340 -0.001 0.000 0.276 196 Q C -1.065 174.981 176.000 0.075 0.000 1.099 196 Q CA -1.005 54.831 55.803 0.056 0.000 0.814 196 Q CB 2.675 31.360 28.738 -0.089 0.000 1.379 196 Q HN 0.513 nan 8.270 nan 0.000 0.436 197 D N -0.184 120.319 120.400 0.171 0.000 2.525 197 D HA 0.161 4.801 4.640 -0.001 0.000 0.235 197 D C 0.928 177.280 176.300 0.087 0.000 1.137 197 D CA 2.344 56.416 54.000 0.120 0.000 0.868 197 D CB 0.286 41.175 40.800 0.147 0.000 1.180 197 D HN 0.692 nan 8.370 nan 0.000 0.465 198 G N 2.767 111.635 108.800 0.113 0.000 2.175 198 G HA2 -0.240 3.720 3.960 -0.001 0.000 0.244 198 G HA3 -0.240 3.720 3.960 -0.001 0.000 0.244 198 G C 0.194 175.165 174.900 0.118 0.000 0.982 198 G CA 0.110 45.274 45.100 0.107 0.000 0.641 198 G HN 0.645 nan 8.290 nan 0.000 0.527 199 D N 0.494 120.968 120.400 0.124 0.000 2.361 199 D HA 0.434 5.073 4.640 -0.001 0.000 0.239 199 D C 1.120 177.571 176.300 0.252 0.000 1.200 199 D CA 0.241 54.309 54.000 0.113 0.000 0.915 199 D CB 0.315 41.107 40.800 -0.013 0.000 1.170 199 D HN 0.032 nan 8.370 nan 0.000 0.444 200 M N 0.885 120.610 119.600 0.209 0.000 2.264 200 M HA 0.213 4.693 4.480 -0.001 0.000 0.352 200 M C -0.090 176.412 176.300 0.336 0.000 1.173 200 M CA -1.001 54.432 55.300 0.221 0.000 1.075 200 M CB 1.120 33.787 32.600 0.112 0.000 1.621 200 M HN 0.076 nan 8.290 nan 0.000 0.457 201 V N 0.172 120.208 119.914 0.204 0.000 3.083 201 V HA 0.335 4.455 4.120 -0.001 0.000 0.306 201 V C 0.431 176.622 176.094 0.161 0.000 1.077 201 V CA -1.184 61.213 62.300 0.161 0.000 1.073 201 V CB 0.468 32.238 31.823 -0.088 0.000 1.081 201 V HN 0.923 nan 8.190 nan 0.000 0.474 202 D N 0.950 121.483 120.400 0.223 0.000 2.455 202 D HA -0.019 4.621 4.640 -0.001 0.000 0.241 202 D C 0.772 177.128 176.300 0.094 0.000 1.138 202 D CA 0.565 54.693 54.000 0.214 0.000 0.877 202 D CB 1.578 42.556 40.800 0.297 0.000 1.187 202 D HN 0.892 nan 8.370 nan 0.000 0.451 203 T N -1.353 113.191 114.554 -0.016 0.000 3.010 203 T HA 0.431 4.780 4.350 -0.001 0.000 0.257 203 T C 1.321 176.046 174.700 0.042 0.000 1.020 203 T CA 0.279 62.249 62.100 -0.217 0.000 0.938 203 T CB 0.531 68.680 68.868 -1.198 0.000 1.049 203 T HN 0.772 nan 8.240 nan 0.000 0.522 204 G N 0.962 109.863 108.800 0.167 0.000 2.738 204 G HA2 -0.080 3.880 3.960 -0.001 0.000 0.195 204 G HA3 -0.080 3.880 3.960 -0.001 0.000 0.195 204 G C 0.221 175.163 174.900 0.071 0.000 1.001 204 G CA -0.322 44.858 45.100 0.133 0.000 0.759 204 G HN 0.387 nan 8.290 nan 0.000 0.494 205 F N 2.760 122.788 119.950 0.129 0.000 2.663 205 F HA 0.523 5.050 4.527 -0.000 0.000 0.299 205 F C 1.711 177.652 175.800 0.235 0.000 1.143 205 F CA 0.219 58.356 58.000 0.229 0.000 1.387 205 F CB 0.061 39.256 39.000 0.326 0.000 1.019 205 F HN 0.722 nan 8.300 nan 0.000 0.523 206 G N 0.811 109.792 108.800 0.303 0.000 2.877 206 G HA2 0.030 3.989 3.960 -0.001 0.000 0.279 206 G HA3 0.030 3.989 3.960 -0.001 0.000 0.279 206 G C -0.180 174.916 174.900 0.326 0.000 1.431 206 G CA -0.602 44.659 45.100 0.268 0.000 0.883 206 G HN 0.750 nan 8.290 nan 0.000 0.547 207 A N 0.595 123.591 122.820 0.292 0.000 2.736 207 A HA 0.716 5.036 4.320 -0.001 0.000 0.335 207 A C 0.651 178.406 177.584 0.286 0.000 1.446 207 A CA 0.769 52.982 52.037 0.294 0.000 1.028 207 A CB -0.575 18.576 19.000 0.251 0.000 1.154 207 A HN 1.638 nan 8.150 nan 0.000 0.507 208 M N -0.446 119.277 119.600 0.205 0.000 2.828 208 M HA 0.705 5.184 4.480 -0.001 0.000 0.284 208 M C -1.220 175.179 176.300 0.165 0.000 1.166 208 M CA -0.833 54.558 55.300 0.152 0.000 0.770 208 M CB 1.030 33.576 32.600 -0.090 0.000 1.741 208 M HN 0.182 nan 8.290 nan 0.000 0.443 209 D N 0.141 120.609 120.400 0.114 0.000 2.446 209 D HA 0.369 5.009 4.640 -0.001 0.000 0.251 209 D C -0.300 176.019 176.300 0.033 0.000 1.137 209 D CA -0.524 53.566 54.000 0.149 0.000 0.890 209 D CB 0.382 41.331 40.800 0.247 0.000 1.071 209 D HN 0.526 nan 8.370 nan 0.000 0.528 210 F N 1.142 121.132 119.950 0.068 0.000 2.307 210 F HA -0.138 4.389 4.527 -0.001 0.000 0.301 210 F C 2.369 178.185 175.800 0.026 0.000 1.076 210 F CA 1.129 59.152 58.000 0.037 0.000 1.383 210 F CB -0.502 38.502 39.000 0.008 0.000 1.055 210 F HN 0.316 nan 8.300 nan 0.000 0.526 211 T N -2.048 112.625 114.554 0.197 0.000 2.851 211 T HA -0.115 4.234 4.350 -0.001 0.000 0.262 211 T C 2.077 176.826 174.700 0.082 0.000 1.043 211 T CA 1.671 63.843 62.100 0.119 0.000 1.140 211 T CB -0.703 68.219 68.868 0.091 0.000 0.872 211 T HN 0.402 nan 8.240 nan 0.000 0.446 212 T N -0.376 114.224 114.554 0.075 0.000 3.051 212 T HA 0.216 4.566 4.350 -0.001 0.000 0.255 212 T C 1.452 176.169 174.700 0.029 0.000 1.085 212 T CA 0.077 62.208 62.100 0.051 0.000 1.109 212 T CB -0.202 68.701 68.868 0.059 0.000 0.921 212 T HN 0.076 nan 8.240 nan 0.000 0.488 213 L N 0.756 121.987 121.223 0.013 0.000 2.640 213 L HA 0.455 4.795 4.340 -0.001 0.000 0.230 213 L C 0.381 177.239 176.870 -0.020 0.000 1.123 213 L CA 0.481 55.308 54.840 -0.021 0.000 0.900 213 L CB -0.184 41.833 42.059 -0.069 0.000 1.146 213 L HN 0.376 nan 8.230 nan 0.000 0.484 214 Q N -1.148 118.660 119.800 0.012 0.000 2.397 214 Q HA 0.475 4.814 4.340 -0.001 0.000 0.260 214 Q C 0.652 176.665 176.000 0.021 0.000 1.002 214 Q CA 0.008 55.821 55.803 0.017 0.000 0.716 214 Q CB 1.781 30.552 28.738 0.054 0.000 1.258 214 Q HN 0.108 nan 8.270 nan 0.000 0.477 215 A N 2.838 125.661 122.820 0.005 0.000 1.968 215 A HA -0.164 4.156 4.320 -0.001 0.000 0.217 215 A C 1.628 179.214 177.584 0.003 0.000 1.169 215 A CA 1.499 53.540 52.037 0.007 0.000 0.638 215 A CB -0.223 18.778 19.000 0.002 0.000 0.812 215 A HN 0.791 nan 8.150 nan 0.000 0.446 216 N N 1.020 119.713 118.700 -0.011 0.000 2.571 216 N HA -0.177 4.563 4.740 -0.001 0.000 0.189 216 N C 0.431 175.930 175.510 -0.018 0.000 1.154 216 N CA 1.148 54.184 53.050 -0.022 0.000 0.907 216 N CB -0.592 37.868 38.487 -0.045 0.000 0.977 216 N HN 0.671 nan 8.380 nan 0.000 0.449 217 K N -0.504 119.896 120.400 -0.000 0.000 3.100 217 K HA -0.197 4.123 4.320 -0.001 0.000 0.261 217 K C -0.611 175.986 176.600 -0.005 0.000 0.920 217 K CA 1.095 57.396 56.287 0.024 0.000 0.683 217 K CB -2.266 30.266 32.500 0.054 0.000 1.349 217 K HN 0.216 nan 8.250 nan 0.000 0.473 218 S N -0.040 115.574 115.700 -0.143 0.000 2.684 218 S HA 0.007 4.477 4.470 -0.001 0.000 0.268 218 S C -0.262 174.015 174.600 -0.539 0.000 1.075 218 S CA 0.160 58.112 58.200 -0.414 0.000 1.184 218 S CB 0.454 63.486 63.200 -0.281 0.000 1.129 218 S HN 0.657 nan 8.310 nan 0.000 0.630 219 D N 2.133 122.339 120.400 -0.323 0.000 3.058 219 D HA 0.387 5.026 4.640 -0.001 0.000 0.272 219 D C -0.220 175.896 176.300 -0.307 0.000 1.350 219 D CA -0.584 53.217 54.000 -0.331 0.000 0.863 219 D CB 0.161 40.763 40.800 -0.330 0.000 1.064 219 D HN 0.167 nan 8.370 nan 0.000 0.488 220 V N -4.855 114.860 119.914 -0.332 0.000 2.915 220 V HA 0.437 4.557 4.120 -0.001 0.000 0.282 220 V C -3.093 172.867 176.094 -0.224 0.000 1.445 220 V CA -1.969 60.062 62.300 -0.449 0.000 0.953 220 V CB 1.406 32.844 31.823 -0.641 0.000 1.140 220 V HN -0.203 nan 8.190 nan 0.000 0.440 221 P HA 0.103 nan 4.420 nan 0.000 0.270 221 P C 1.054 178.328 177.300 -0.043 0.000 1.216 221 P CA -0.096 62.974 63.100 -0.049 0.000 0.788 221 P CB 0.447 32.096 31.700 -0.086 0.000 0.883 222 L N 1.888 123.047 121.223 -0.107 0.000 2.043 222 L HA -0.216 4.124 4.340 -0.001 0.000 0.212 222 L C 1.861 178.716 176.870 -0.025 0.000 1.075 222 L CA 2.340 57.135 54.840 -0.076 0.000 0.752 222 L CB -2.173 39.840 42.059 -0.077 0.000 0.891 222 L HN 0.498 nan 8.230 nan 0.000 0.432 223 D N -0.187 120.183 120.400 -0.049 0.000 2.271 223 D HA -0.234 4.406 4.640 -0.001 0.000 0.207 223 D C 1.810 178.117 176.300 0.011 0.000 0.983 223 D CA 1.705 55.746 54.000 0.069 0.000 0.878 223 D CB -0.451 40.457 40.800 0.181 0.000 0.920 223 D HN 0.633 nan 8.370 nan 0.000 0.479 224 I N -2.186 118.310 120.570 -0.124 0.000 4.312 224 I HA 0.164 4.334 4.170 -0.001 0.000 0.324 224 I C 2.150 178.006 176.117 -0.435 0.000 1.298 224 I CA -0.186 60.914 61.300 -0.333 0.000 1.231 224 I CB -0.135 37.505 38.000 -0.601 0.000 1.152 224 I HN 0.179 nan 8.210 nan 0.000 0.421 225 C N 1.877 121.002 119.300 -0.292 0.000 2.396 225 C HA -0.103 4.357 4.460 -0.001 0.000 0.277 225 C C 2.316 177.313 174.990 0.011 0.000 1.231 225 C CA 0.997 59.924 59.018 -0.152 0.000 1.775 225 C CB -1.782 25.954 27.740 -0.007 0.000 2.036 225 C HN 0.726 nan 8.230 nan 0.000 0.484 226 S N -0.005 115.705 115.700 0.018 0.000 2.484 226 S HA 0.603 5.073 4.470 -0.001 0.000 0.242 226 S C 0.017 174.659 174.600 0.069 0.000 1.158 226 S CA -0.014 58.224 58.200 0.063 0.000 1.162 226 S CB -0.159 63.069 63.200 0.046 0.000 0.850 226 S HN 0.720 nan 8.310 nan 0.000 0.477 227 S N 0.452 116.205 115.700 0.089 0.000 2.973 227 S HA 0.636 5.105 4.470 -0.001 0.000 0.317 227 S C -1.284 173.413 174.600 0.162 0.000 1.196 227 S CA -0.916 57.333 58.200 0.080 0.000 0.894 227 S CB 0.676 63.898 63.200 0.037 0.000 1.292 227 S HN 0.422 nan 8.310 nan 0.000 0.614 228 I N 1.150 121.776 120.570 0.094 0.000 2.468 228 I HA 0.331 4.500 4.170 -0.001 0.000 0.285 228 I C -1.208 174.969 176.117 0.101 0.000 1.039 228 I CA -0.357 60.981 61.300 0.064 0.000 1.074 228 I CB 1.358 39.229 38.000 -0.214 0.000 1.228 228 I HN 0.489 nan 8.210 nan 0.000 0.436 229 C N 6.253 125.717 119.300 0.273 0.000 2.281 229 C HA 0.311 4.770 4.460 -0.001 0.000 0.336 229 C C 0.581 175.715 174.990 0.240 0.000 1.217 229 C CA -0.659 58.519 59.018 0.266 0.000 1.730 229 C CB -0.680 27.267 27.740 0.345 0.000 2.338 229 C HN 0.628 nan 8.230 nan 0.000 0.521 230 K N 2.300 122.824 120.400 0.207 0.000 2.110 230 K HA 0.468 4.788 4.320 -0.001 0.000 0.263 230 K C -0.932 175.845 176.600 0.295 0.000 0.975 230 K CA -0.337 56.051 56.287 0.169 0.000 0.895 230 K CB 1.431 33.888 32.500 -0.071 0.000 1.060 230 K HN 0.674 nan 8.250 nan 0.000 0.448 231 Y N 2.782 123.153 120.300 0.119 0.000 2.409 231 Y HA 0.318 4.868 4.550 -0.000 0.000 0.343 231 Y C -2.529 173.376 175.900 0.008 0.000 0.973 231 Y CA -2.621 55.565 58.100 0.144 0.000 1.064 231 Y CB 1.588 40.124 38.460 0.126 0.000 1.207 231 Y HN 0.444 nan 8.280 nan 0.000 0.452 232 P HA -0.056 nan 4.420 nan 0.000 0.263 232 P C -0.480 176.540 177.300 -0.467 0.000 1.195 232 P CA 0.402 63.139 63.100 -0.605 0.000 0.762 232 P CB 0.480 31.546 31.700 -1.057 0.000 0.799 233 D N 3.050 123.285 120.400 -0.275 0.000 2.736 233 D HA -0.059 4.581 4.640 -0.001 0.000 0.228 233 D C 0.751 176.976 176.300 -0.126 0.000 1.077 233 D CA 0.184 54.105 54.000 -0.131 0.000 1.096 233 D CB -0.406 40.329 40.800 -0.108 0.000 1.138 233 D HN 0.311 nan 8.370 nan 0.000 0.461 234 Y N 0.315 120.576 120.300 -0.064 0.000 2.102 234 Y HA -0.273 4.277 4.550 -0.001 0.000 0.280 234 Y C 2.428 178.266 175.900 -0.103 0.000 1.178 234 Y CA 0.903 58.917 58.100 -0.143 0.000 1.146 234 Y CB -0.325 38.051 38.460 -0.139 0.000 0.968 234 Y HN 0.250 nan 8.280 nan 0.000 0.504 235 L N -0.179 121.123 121.223 0.132 0.000 2.046 235 L HA -0.264 4.075 4.340 -0.001 0.000 0.208 235 L C 2.582 179.468 176.870 0.026 0.000 1.077 235 L CA 1.592 56.473 54.840 0.068 0.000 0.747 235 L CB -0.430 41.669 42.059 0.066 0.000 0.896 235 L HN 0.209 nan 8.230 nan 0.000 0.432 236 K N -0.256 120.146 120.400 0.003 0.000 1.985 236 K HA -0.200 4.120 4.320 -0.001 0.000 0.210 236 K C 2.190 178.773 176.600 -0.028 0.000 1.047 236 K CA 1.694 57.970 56.287 -0.019 0.000 0.932 236 K CB -0.117 32.358 32.500 -0.042 0.000 0.716 236 K HN 0.124 nan 8.250 nan 0.000 0.439 237 M N 0.185 119.747 119.600 -0.063 0.000 2.108 237 M HA -0.236 4.244 4.480 -0.001 0.000 0.257 237 M C 2.137 178.419 176.300 -0.030 0.000 1.071 237 M CA 1.493 56.750 55.300 -0.072 0.000 1.093 237 M CB -0.294 32.217 32.600 -0.149 0.000 1.345 237 M HN 0.030 nan 8.290 nan 0.000 0.403 238 V N -0.898 118.999 119.914 -0.029 0.000 2.343 238 V HA -0.239 3.880 4.120 -0.001 0.000 0.247 238 V C 2.154 178.276 176.094 0.047 0.000 1.051 238 V CA 1.979 64.287 62.300 0.012 0.000 1.036 238 V CB -0.419 31.413 31.823 0.015 0.000 0.654 238 V HN 0.409 nan 8.190 nan 0.000 0.451 239 S N -1.383 114.338 115.700 0.035 0.000 2.603 239 S HA 0.010 4.479 4.470 -0.001 0.000 0.220 239 S C 0.855 175.484 174.600 0.048 0.000 0.967 239 S CA -0.065 58.161 58.200 0.043 0.000 0.920 239 S CB -0.326 62.892 63.200 0.031 0.000 0.773 239 S HN 0.695 nan 8.310 nan 0.000 0.529 240 E N 2.435 122.666 120.200 0.052 0.000 2.452 240 E HA -0.010 4.340 4.350 -0.001 0.000 0.261 240 E C -1.340 175.311 176.600 0.085 0.000 0.987 240 E CA -1.485 54.952 56.400 0.062 0.000 0.926 240 E CB 0.754 30.499 29.700 0.075 0.000 0.934 240 E HN 0.079 nan 8.360 nan 0.000 0.452 241 P HA -0.213 nan 4.420 nan 0.000 0.213 241 P C 0.780 178.070 177.300 -0.017 0.000 1.170 241 P CA 1.649 64.703 63.100 -0.077 0.000 0.902 241 P CB -0.126 31.392 31.700 -0.304 0.000 0.789 242 Y N -0.616 119.763 120.300 0.130 0.000 2.269 242 Y HA 0.188 4.737 4.550 -0.001 0.000 0.294 242 Y C 1.792 177.859 175.900 0.278 0.000 1.120 242 Y CA 0.844 59.059 58.100 0.192 0.000 1.159 242 Y CB -0.652 37.879 38.460 0.118 0.000 1.024 242 Y HN 0.062 nan 8.280 nan 0.000 0.532 243 G N 0.868 109.890 108.800 0.370 0.000 2.289 243 G HA2 -0.231 3.729 3.960 -0.001 0.000 0.280 243 G HA3 -0.231 3.729 3.960 -0.001 0.000 0.280 243 G C 0.042 175.141 174.900 0.332 0.000 1.089 243 G CA 0.439 45.719 45.100 0.301 0.000 0.939 243 G HN 0.411 nan 8.290 nan 0.000 0.499 244 D N -0.591 119.979 120.400 0.282 0.000 2.327 244 D HA 0.054 4.694 4.640 -0.001 0.000 0.205 244 D C 2.277 178.594 176.300 0.028 0.000 0.989 244 D CA 0.663 54.825 54.000 0.269 0.000 0.873 244 D CB 0.073 41.042 40.800 0.281 0.000 0.955 244 D HN 0.563 nan 8.370 nan 0.000 0.515 245 M N 0.627 120.223 119.600 -0.006 0.000 2.296 245 M HA -0.057 4.423 4.480 -0.001 0.000 0.265 245 M C -0.557 175.625 176.300 -0.196 0.000 1.064 245 M CA 1.082 56.309 55.300 -0.122 0.000 1.109 245 M CB 0.175 32.714 32.600 -0.102 0.000 1.396 245 M HN -0.000 nan 8.290 nan 0.000 0.430 246 L N -3.197 117.930 121.223 -0.161 0.000 2.703 246 L HA 0.392 4.732 4.340 -0.001 0.000 0.257 246 L C -1.245 175.649 176.870 0.041 0.000 0.923 246 L CA -0.919 53.809 54.840 -0.186 0.000 0.936 246 L CB 0.290 42.287 42.059 -0.104 0.000 1.482 246 L HN 0.153 nan 8.230 nan 0.000 0.432 247 F N 0.847 120.941 119.950 0.240 0.000 2.880 247 F HA 0.729 5.256 4.527 -0.001 0.000 0.328 247 F C -0.541 175.488 175.800 0.383 0.000 1.146 247 F CA -1.101 57.058 58.000 0.265 0.000 1.135 247 F CB 0.029 39.166 39.000 0.230 0.000 1.151 247 F HN 0.413 nan 8.300 nan 0.000 0.523 248 F N 2.401 122.589 119.950 0.396 0.000 2.639 248 F HA 0.586 5.113 4.527 -0.000 0.000 0.320 248 F C -1.603 174.406 175.800 0.347 0.000 1.128 248 F CA -1.631 56.562 58.000 0.322 0.000 1.037 248 F CB 1.201 40.371 39.000 0.283 0.000 1.288 248 F HN 0.111 nan 8.300 nan 0.000 0.463 249 Y N 3.661 123.480 120.300 -0.801 0.000 2.655 249 Y HA 0.897 5.447 4.550 -0.001 0.000 0.336 249 Y C -2.251 173.250 175.900 -0.665 0.000 1.154 249 Y CA -1.729 56.043 58.100 -0.547 0.000 1.055 249 Y CB 1.879 40.278 38.460 -0.102 0.000 1.295 249 Y HN 0.567 nan 8.280 nan 0.000 0.465 250 L N 2.430 123.489 121.223 -0.272 0.000 2.543 250 L HA 0.587 4.927 4.340 -0.001 0.000 0.265 250 L C -1.207 175.631 176.870 -0.054 0.000 0.945 250 L CA -0.919 53.730 54.840 -0.318 0.000 0.869 250 L CB 2.631 44.480 42.059 -0.350 0.000 1.294 250 L HN 0.864 nan 8.230 nan 0.000 0.405 251 R N 1.749 122.204 120.500 -0.075 0.000 2.778 251 R HA 0.924 5.264 4.340 -0.001 0.000 0.277 251 R C -0.676 175.603 176.300 -0.036 0.000 0.977 251 R CA -1.070 55.033 56.100 0.005 0.000 0.950 251 R CB 2.070 32.377 30.300 0.010 0.000 1.165 251 R HN 0.500 nan 8.270 nan 0.000 0.474 252 R N 1.058 121.556 120.500 -0.003 0.000 3.130 252 R HA 0.107 4.446 4.340 -0.001 0.000 0.261 252 R C -1.626 174.688 176.300 0.023 0.000 1.683 252 R CA -0.204 55.885 56.100 -0.018 0.000 1.095 252 R CB 0.891 31.151 30.300 -0.067 0.000 1.421 252 R HN 0.970 nan 8.270 nan 0.000 0.454 253 E N 3.134 123.366 120.200 0.052 0.000 2.312 253 E HA 0.510 4.859 4.350 -0.001 0.000 0.267 253 E C -1.388 175.257 176.600 0.074 0.000 0.894 253 E CA -1.035 55.416 56.400 0.086 0.000 0.773 253 E CB 2.751 32.536 29.700 0.142 0.000 1.241 253 E HN 0.466 nan 8.360 nan 0.000 0.432 254 Q N 2.463 122.314 119.800 0.085 0.000 2.541 254 Q HA 0.446 4.786 4.340 -0.001 0.000 0.259 254 Q C -1.706 174.355 176.000 0.103 0.000 0.974 254 Q CA -0.824 55.032 55.803 0.088 0.000 0.955 254 Q CB 1.831 30.615 28.738 0.077 0.000 1.517 254 Q HN 0.684 nan 8.270 nan 0.000 0.412 255 M N 3.361 123.031 119.600 0.116 0.000 2.732 255 M HA 0.725 5.204 4.480 -0.001 0.000 0.272 255 M C -2.105 174.302 176.300 0.179 0.000 1.203 255 M CA -0.546 54.815 55.300 0.101 0.000 0.841 255 M CB 2.250 34.884 32.600 0.057 0.000 1.685 255 M HN 0.933 nan 8.290 nan 0.000 0.492 256 F N 0.550 120.527 119.950 0.045 0.000 2.726 256 F HA 0.805 5.332 4.527 -0.001 0.000 0.324 256 F C -1.534 174.279 175.800 0.022 0.000 1.140 256 F CA -0.999 57.016 58.000 0.026 0.000 0.964 256 F CB 0.586 39.597 39.000 0.019 0.000 1.399 256 F HN 0.258 nan 8.300 nan 0.000 0.491 257 V N 2.596 122.749 119.914 0.397 0.000 2.338 257 V HA 0.356 4.476 4.120 -0.001 0.000 0.255 257 V C 1.083 177.332 176.094 0.259 0.000 1.082 257 V CA -0.300 62.103 62.300 0.173 0.000 0.951 257 V CB 0.003 31.883 31.823 0.094 0.000 1.102 257 V HN 0.947 nan 8.190 nan 0.000 0.489 258 R N 3.162 123.692 120.500 0.050 0.000 2.062 258 R HA -0.006 4.333 4.340 -0.001 0.000 0.231 258 R C 0.394 176.911 176.300 0.363 0.000 1.136 258 R CA 1.627 57.905 56.100 0.297 0.000 0.948 258 R CB -0.107 30.267 30.300 0.124 0.000 0.845 258 R HN 0.781 nan 8.270 nan 0.000 0.430 259 H N -2.061 116.962 119.070 -0.078 0.000 2.865 259 H HA 0.515 5.071 4.556 -0.000 0.000 0.372 259 H C -1.301 173.754 175.328 -0.454 0.000 1.173 259 H CA -0.724 55.160 56.048 -0.273 0.000 1.147 259 H CB 1.620 31.207 29.762 -0.291 0.000 1.805 259 H HN 0.011 nan 8.280 nan 0.000 0.553 260 L N 2.397 123.276 121.223 -0.573 0.000 2.325 260 L HA 0.523 4.863 4.340 -0.001 0.000 0.281 260 L C -1.033 175.383 176.870 -0.757 0.000 1.004 260 L CA -0.236 54.278 54.840 -0.545 0.000 0.823 260 L CB 0.735 42.599 42.059 -0.326 0.000 1.236 260 L HN 0.384 nan 8.230 nan 0.000 0.415 261 F N 0.499 120.253 119.950 -0.327 0.000 2.675 261 F HA 0.439 4.966 4.527 -0.000 0.000 0.324 261 F C 0.088 175.912 175.800 0.040 0.000 1.106 261 F CA -0.774 57.091 58.000 -0.226 0.000 0.970 261 F CB 1.953 40.637 39.000 -0.527 0.000 1.385 261 F HN 0.357 nan 8.300 nan 0.000 0.489 262 N N 0.569 119.508 118.700 0.397 0.000 2.362 262 N HA 0.381 5.120 4.740 -0.001 0.000 0.298 262 N C -1.024 174.735 175.510 0.415 0.000 1.048 262 N CA -0.814 52.430 53.050 0.324 0.000 0.858 262 N CB 1.112 39.715 38.487 0.193 0.000 1.218 262 N HN 0.290 nan 8.380 nan 0.000 0.488 263 R N 1.088 121.763 120.500 0.291 0.000 2.528 263 R HA 0.504 4.843 4.340 -0.001 0.000 0.271 263 R C -0.259 176.078 176.300 0.063 0.000 1.056 263 R CA -0.343 55.846 56.100 0.148 0.000 1.117 263 R CB 1.082 31.401 30.300 0.032 0.000 1.085 263 R HN 0.539 nan 8.270 nan 0.000 0.530 264 A N -0.066 122.769 122.820 0.025 0.000 2.263 264 A HA 0.764 5.084 4.320 -0.001 0.000 0.318 264 A C 0.048 177.625 177.584 -0.012 0.000 1.111 264 A CA -0.060 51.982 52.037 0.009 0.000 0.901 264 A CB 0.659 19.665 19.000 0.009 0.000 1.280 264 A HN 0.807 nan 8.150 nan 0.000 0.503 265 G N -1.083 107.711 108.800 -0.010 0.000 2.755 265 G HA2 0.261 4.220 3.960 -0.001 0.000 0.686 265 G HA3 0.261 4.220 3.960 -0.001 0.000 0.686 265 G C 0.032 174.922 174.900 -0.017 0.000 1.427 265 G CA 0.033 45.124 45.100 -0.015 0.000 0.873 265 G HN 2.263 nan 8.290 nan 0.000 0.580 266 T N -1.586 112.959 114.554 -0.015 0.000 2.901 266 T HA 0.510 4.859 4.350 -0.001 0.000 0.301 266 T C 0.725 175.412 174.700 -0.021 0.000 1.012 266 T CA -0.117 61.974 62.100 -0.015 0.000 1.135 266 T CB 1.364 70.227 68.868 -0.009 0.000 0.936 266 T HN 1.571 nan 8.240 nan 0.000 0.539 267 V N 4.622 124.520 119.914 -0.027 0.000 2.521 267 V HA 0.330 4.449 4.120 -0.001 0.000 0.286 267 V C 1.782 177.861 176.094 -0.024 0.000 1.034 267 V CA 0.407 62.687 62.300 -0.033 0.000 1.045 267 V CB 0.253 32.048 31.823 -0.047 0.000 0.974 267 V HN 1.184 nan 8.190 nan 0.000 0.480 268 G N 4.318 113.103 108.800 -0.024 0.000 2.424 268 G HA2 -0.084 3.876 3.960 -0.001 0.000 0.214 268 G HA3 -0.084 3.876 3.960 -0.001 0.000 0.214 268 G C 0.444 175.335 174.900 -0.016 0.000 1.202 268 G CA 0.011 45.100 45.100 -0.019 0.000 0.793 268 G HN 0.738 nan 8.290 nan 0.000 0.534 269 E N 1.661 121.850 120.200 -0.018 0.000 2.044 269 E HA 0.378 4.728 4.350 -0.001 0.000 0.282 269 E C -0.098 176.496 176.600 -0.010 0.000 1.031 269 E CA -0.324 56.069 56.400 -0.012 0.000 0.824 269 E CB 0.901 30.593 29.700 -0.014 0.000 1.076 269 E HN 0.286 nan 8.360 nan 0.000 0.395 270 T N -0.541 114.012 114.554 -0.002 0.000 2.860 270 T HA 0.152 4.502 4.350 -0.001 0.000 0.299 270 T C 0.623 175.333 174.700 0.017 0.000 1.045 270 T CA -0.938 61.163 62.100 0.003 0.000 1.071 270 T CB 0.780 69.657 68.868 0.015 0.000 0.985 270 T HN 0.086 nan 8.240 nan 0.000 0.537 271 V N 3.827 123.750 119.914 0.014 0.000 2.572 271 V HA 0.209 4.329 4.120 -0.001 0.000 0.291 271 V C -1.872 174.308 176.094 0.142 0.000 1.039 271 V CA -1.380 60.945 62.300 0.042 0.000 1.055 271 V CB -0.005 31.791 31.823 -0.045 0.000 0.969 271 V HN 0.813 nan 8.190 nan 0.000 0.482 272 P HA 0.236 nan 4.420 nan 0.000 0.275 272 P C 0.609 178.022 177.300 0.189 0.000 1.276 272 P CA -0.196 62.977 63.100 0.121 0.000 0.782 272 P CB 0.959 32.702 31.700 0.072 0.000 0.851 273 A N 3.884 126.786 122.820 0.138 0.000 2.148 273 A HA -0.202 4.118 4.320 -0.001 0.000 0.222 273 A C 1.359 178.799 177.584 -0.240 0.000 1.161 273 A CA 1.738 53.723 52.037 -0.087 0.000 0.662 273 A CB -0.804 18.139 19.000 -0.094 0.000 0.799 273 A HN 0.622 nan 8.150 nan 0.000 0.466 274 D N -1.021 119.334 120.400 -0.074 0.000 2.358 274 D HA 0.146 4.785 4.640 -0.001 0.000 0.224 274 D C 0.971 177.261 176.300 -0.016 0.000 1.123 274 D CA -0.027 53.930 54.000 -0.071 0.000 0.833 274 D CB -0.091 40.688 40.800 -0.035 0.000 0.946 274 D HN 0.503 nan 8.370 nan 0.000 0.505 275 L N -0.604 120.649 121.223 0.051 0.000 2.701 275 L HA 0.197 4.537 4.340 -0.001 0.000 0.238 275 L C -0.133 176.861 176.870 0.205 0.000 1.106 275 L CA -0.220 54.696 54.840 0.127 0.000 0.898 275 L CB 0.171 42.338 42.059 0.181 0.000 1.188 275 L HN 0.084 nan 8.230 nan 0.000 0.508 276 Y N -2.682 117.615 120.300 -0.005 0.000 2.581 276 Y HA 0.627 5.176 4.550 -0.000 0.000 0.345 276 Y C -0.594 175.299 175.900 -0.012 0.000 1.036 276 Y CA -1.546 56.549 58.100 -0.008 0.000 1.042 276 Y CB 0.855 39.309 38.460 -0.009 0.000 1.289 276 Y HN -0.229 nan 8.280 nan 0.000 0.471 277 I N 3.869 124.414 120.570 -0.041 0.000 2.337 277 I HA 0.125 4.294 4.170 -0.001 0.000 0.291 277 I C -0.089 175.996 176.117 -0.053 0.000 1.046 277 I CA -0.683 60.551 61.300 -0.109 0.000 1.324 277 I CB 0.694 38.674 38.000 -0.032 0.000 1.409 277 I HN 0.494 nan 8.210 nan 0.000 0.494 278 K N 5.445 125.741 120.400 -0.175 0.000 2.397 278 K HA -0.082 4.237 4.320 -0.001 0.000 0.263 278 K C 0.362 176.974 176.600 0.020 0.000 1.143 278 K CA 0.101 56.359 56.287 -0.048 0.000 1.207 278 K CB -0.064 32.391 32.500 -0.075 0.000 0.804 278 K HN 0.856 nan 8.250 nan 0.000 0.494 279 G N 2.674 111.522 108.800 0.080 0.000 2.329 279 G HA2 0.097 4.056 3.960 -0.001 0.000 0.309 279 G HA3 0.097 4.056 3.960 -0.001 0.000 0.309 279 G C 0.074 174.985 174.900 0.019 0.000 1.110 279 G CA -0.421 44.700 45.100 0.035 0.000 0.923 279 G HN 0.497 nan 8.290 nan 0.000 0.430 280 T N 1.902 116.464 114.554 0.014 0.000 2.939 280 T HA 0.258 4.608 4.350 -0.001 0.000 0.312 280 T C 0.773 175.491 174.700 0.030 0.000 1.064 280 T CA 1.295 63.408 62.100 0.022 0.000 1.136 280 T CB -0.284 68.596 68.868 0.021 0.000 1.035 280 T HN 1.249 nan 8.240 nan 0.000 0.538 281 T N 2.046 116.630 114.554 0.051 0.000 1.884 281 T HA 0.249 4.599 4.350 -0.001 0.000 0.603 281 T C 0.072 174.831 174.700 0.098 0.000 0.914 281 T CA 0.618 62.773 62.100 0.092 0.000 3.205 281 T CB -1.825 67.118 68.868 0.123 0.000 1.886 281 T HN 1.857 nan 8.240 nan 0.000 0.439 282 G N 1.368 110.239 108.800 0.119 0.000 2.307 282 G HA2 0.390 4.350 3.960 -0.001 0.000 0.348 282 G HA3 0.390 4.350 3.960 -0.001 0.000 0.348 282 G C -0.274 174.675 174.900 0.083 0.000 1.603 282 G CA -0.141 45.036 45.100 0.128 0.000 0.961 282 G HN 0.720 nan 8.290 nan 0.000 0.686 283 T N 1.734 116.346 114.554 0.097 0.000 3.258 283 T HA 0.423 4.773 4.350 -0.001 0.000 0.263 283 T C 0.414 175.131 174.700 0.028 0.000 0.983 283 T CA 0.122 62.259 62.100 0.062 0.000 0.907 283 T CB -0.284 68.622 68.868 0.062 0.000 1.096 283 T HN 1.680 nan 8.240 nan 0.000 0.556 284 L N 2.957 124.173 121.223 -0.011 0.000 3.121 284 L HA -0.104 4.236 4.340 -0.001 0.000 0.581 284 L C -1.746 175.083 176.870 -0.069 0.000 1.002 284 L CA -0.535 54.249 54.840 -0.094 0.000 1.291 284 L CB -0.690 41.288 42.059 -0.135 0.000 1.409 284 L HN 0.225 nan 8.230 nan 0.000 0.691 285 P HA -0.014 nan 4.420 nan 0.000 0.269 285 P C 0.128 177.390 177.300 -0.063 0.000 1.200 285 P CA 0.284 63.384 63.100 0.001 0.000 0.779 285 P CB 0.389 32.100 31.700 0.017 0.000 0.841 286 S N 0.326 115.991 115.700 -0.057 0.000 2.554 286 S HA 0.013 4.482 4.470 -0.001 0.000 0.290 286 S C 0.792 175.198 174.600 -0.323 0.000 1.309 286 S CA 0.690 58.808 58.200 -0.138 0.000 1.047 286 S CB -0.397 62.749 63.200 -0.091 0.000 0.828 286 S HN 0.548 nan 8.310 nan 0.000 0.509 287 T N 2.012 116.332 114.554 -0.390 0.000 3.041 287 T HA 0.125 4.474 4.350 -0.001 0.000 0.276 287 T C 0.414 174.691 174.700 -0.705 0.000 0.948 287 T CA 0.265 61.954 62.100 -0.684 0.000 0.885 287 T CB 0.065 68.781 68.868 -0.252 0.000 1.175 287 T HN 0.802 nan 8.240 nan 0.000 0.529 288 S N 2.494 117.973 115.700 -0.369 0.000 3.355 288 S HA 0.258 4.728 4.470 -0.001 0.000 0.293 288 S C -0.348 174.235 174.600 -0.028 0.000 1.197 288 S CA -0.591 57.522 58.200 -0.146 0.000 1.117 288 S CB -1.105 62.062 63.200 -0.055 0.000 1.587 288 S HN 0.329 nan 8.310 nan 0.000 0.536 289 Y N 2.172 122.567 120.300 0.159 0.000 2.354 289 Y HA 0.653 5.202 4.550 -0.001 0.000 0.322 289 Y C 0.076 176.158 175.900 0.303 0.000 1.253 289 Y CA -1.300 56.912 58.100 0.187 0.000 1.272 289 Y CB 1.100 39.597 38.460 0.061 0.000 1.255 289 Y HN 0.704 nan 8.280 nan 0.000 0.500 290 F N 1.068 121.164 119.950 0.243 0.000 2.639 290 F HA 0.688 5.215 4.527 -0.001 0.000 0.320 290 F C -3.572 172.297 175.800 0.113 0.000 1.128 290 F CA -2.394 55.693 58.000 0.145 0.000 1.037 290 F CB 1.402 40.510 39.000 0.181 0.000 1.288 290 F HN 0.107 nan 8.300 nan 0.000 0.463 291 P HA 0.447 nan 4.420 nan 0.000 0.285 291 P C -1.169 176.024 177.300 -0.179 0.000 1.285 291 P CA -0.444 62.523 63.100 -0.220 0.000 0.854 291 P CB 2.214 33.831 31.700 -0.140 0.000 1.180 292 T N 2.388 116.904 114.554 -0.063 0.000 2.779 292 T HA 0.425 4.775 4.350 -0.001 0.000 0.280 292 T C -2.206 172.477 174.700 -0.029 0.000 0.987 292 T CA -1.399 60.742 62.100 0.069 0.000 0.966 292 T CB 1.055 70.050 68.868 0.210 0.000 0.933 292 T HN 0.371 nan 8.240 nan 0.000 0.442 293 P HA 0.435 nan 4.420 nan 0.000 0.289 293 P C -0.770 176.384 177.300 -0.243 0.000 1.299 293 P CA -0.554 62.482 63.100 -0.106 0.000 0.766 293 P CB 0.838 32.551 31.700 0.022 0.000 1.226 294 S N -2.229 113.211 115.700 -0.434 0.000 2.582 294 S HA 0.436 4.906 4.470 -0.001 0.000 0.296 294 S C 0.677 175.049 174.600 -0.380 0.000 1.118 294 S CA -0.197 57.670 58.200 -0.555 0.000 0.947 294 S CB -0.115 62.422 63.200 -1.105 0.000 1.131 294 S HN 0.566 nan 8.310 nan 0.000 0.453 295 G N 2.175 110.927 108.800 -0.079 0.000 2.848 295 G HA2 0.257 4.217 3.960 -0.001 0.000 0.208 295 G HA3 0.257 4.217 3.960 -0.001 0.000 0.208 295 G C 0.989 175.955 174.900 0.109 0.000 1.152 295 G CA 0.966 46.093 45.100 0.044 0.000 0.789 295 G HN 1.783 nan 8.290 nan 0.000 0.531 296 S N -0.926 114.869 115.700 0.159 0.000 4.112 296 S HA -0.338 4.132 4.470 -0.001 0.000 0.602 296 S C 0.504 175.194 174.600 0.150 0.000 1.939 296 S CA 1.581 59.964 58.200 0.304 0.000 4.230 296 S CB -1.102 62.338 63.200 0.399 0.000 0.245 296 S HN 0.558 nan 8.310 nan 0.000 0.530 297 M N 1.545 121.218 119.600 0.121 0.000 2.465 297 M HA 0.613 5.093 4.480 -0.001 0.000 0.316 297 M C -1.151 175.187 176.300 0.062 0.000 1.121 297 M CA -0.655 54.692 55.300 0.079 0.000 0.934 297 M CB 1.805 34.445 32.600 0.066 0.000 1.692 297 M HN 0.715 nan 8.290 nan 0.000 0.444 298 V N 1.248 121.193 119.914 0.050 0.000 2.398 298 V HA 0.860 4.980 4.120 -0.001 0.000 0.286 298 V C -0.384 175.729 176.094 0.032 0.000 1.026 298 V CA -0.429 61.896 62.300 0.042 0.000 0.868 298 V CB 0.759 32.609 31.823 0.046 0.000 0.982 298 V HN 0.909 nan 8.190 nan 0.000 0.443 299 T N 0.052 114.621 114.554 0.024 0.000 2.916 299 T HA 0.402 4.752 4.350 -0.001 0.000 0.298 299 T C 0.851 175.559 174.700 0.014 0.000 1.031 299 T CA 0.116 62.227 62.100 0.019 0.000 0.993 299 T CB 1.679 70.556 68.868 0.016 0.000 1.045 299 T HN 0.513 nan 8.240 nan 0.000 0.454 300 S N 1.788 117.496 115.700 0.014 0.000 2.399 300 S HA -0.208 4.261 4.470 -0.001 0.000 0.235 300 S C 1.549 176.154 174.600 0.007 0.000 1.063 300 S CA 2.147 60.355 58.200 0.013 0.000 1.070 300 S CB -0.479 62.727 63.200 0.011 0.000 0.904 300 S HN 0.867 nan 8.310 nan 0.000 0.456 301 D N 1.332 121.735 120.400 0.005 0.000 2.149 301 D HA 0.012 4.651 4.640 -0.001 0.000 0.201 301 D C 2.194 178.491 176.300 -0.006 0.000 0.972 301 D CA 1.053 55.054 54.000 0.001 0.000 0.835 301 D CB -0.308 40.494 40.800 0.002 0.000 0.966 301 D HN 0.469 nan 8.370 nan 0.000 0.476 302 A N 1.510 124.326 122.820 -0.007 0.000 1.940 302 A HA -0.165 4.154 4.320 -0.001 0.000 0.219 302 A C 1.302 178.859 177.584 -0.045 0.000 1.176 302 A CA 0.783 52.808 52.037 -0.020 0.000 0.631 302 A CB -0.482 18.511 19.000 -0.011 0.000 0.814 302 A HN 0.145 nan 8.150 nan 0.000 0.446 303 Q N -0.424 119.351 119.800 -0.042 0.000 2.549 303 Q HA -0.087 4.253 4.340 -0.001 0.000 0.347 303 Q C 0.764 176.705 176.000 -0.098 0.000 1.081 303 Q CA 0.582 56.342 55.803 -0.072 0.000 1.093 303 Q CB 0.420 29.155 28.738 -0.006 0.000 1.067 303 Q HN 0.717 nan 8.270 nan 0.000 0.398 304 I N 2.213 122.633 120.570 -0.251 0.000 3.228 304 I HA 0.038 4.208 4.170 -0.001 0.000 0.279 304 I C 0.081 176.175 176.117 -0.039 0.000 1.221 304 I CA 0.200 61.355 61.300 -0.242 0.000 1.458 304 I CB 0.421 38.128 38.000 -0.488 0.000 1.105 304 I HN 0.379 nan 8.210 nan 0.000 0.445 305 F N 0.997 121.027 119.950 0.132 0.000 2.403 305 F HA 0.298 4.824 4.527 -0.000 0.000 0.326 305 F C 1.132 176.910 175.800 -0.037 0.000 1.099 305 F CA -0.688 57.358 58.000 0.077 0.000 1.036 305 F CB 0.342 39.368 39.000 0.043 0.000 1.336 305 F HN -0.027 nan 8.300 nan 0.000 0.497 306 N N 0.034 118.787 118.700 0.089 0.000 2.776 306 N HA -0.200 4.540 4.740 -0.001 0.000 0.250 306 N C -1.385 174.047 175.510 -0.129 0.000 1.112 306 N CA 0.572 53.590 53.050 -0.054 0.000 0.733 306 N CB -0.801 37.682 38.487 -0.006 0.000 1.097 306 N HN 0.428 nan 8.380 nan 0.000 0.558 307 K N -0.544 119.705 120.400 -0.251 0.000 2.480 307 K HA 0.583 4.902 4.320 -0.001 0.000 0.258 307 K C -2.784 173.491 176.600 -0.542 0.000 0.990 307 K CA -1.694 54.443 56.287 -0.251 0.000 0.857 307 K CB 2.457 34.900 32.500 -0.095 0.000 1.384 307 K HN -0.186 nan 8.250 nan 0.000 0.446 308 P HA 0.237 nan 4.420 nan 0.000 0.292 308 P C -1.484 175.242 177.300 -0.957 0.000 1.283 308 P CA -0.416 62.163 63.100 -0.869 0.000 0.835 308 P CB 0.575 31.776 31.700 -0.831 0.000 1.017 309 Y N 0.739 120.520 120.300 -0.866 0.000 2.335 309 Y HA 0.334 4.884 4.550 -0.001 0.000 0.338 309 Y C -0.108 175.278 175.900 -0.856 0.000 0.977 309 Y CA -0.928 56.723 58.100 -0.749 0.000 1.114 309 Y CB 1.472 39.472 38.460 -0.766 0.000 1.182 309 Y HN 0.325 nan 8.280 nan 0.000 0.463 310 W N 5.644 126.927 121.300 -0.027 0.000 2.295 310 W HA 0.426 5.086 4.660 -0.001 0.000 0.333 310 W C -0.429 176.046 176.519 -0.073 0.000 0.990 310 W CA -1.023 56.298 57.345 -0.039 0.000 1.453 310 W CB 0.650 30.125 29.460 0.026 0.000 1.263 310 W HN 0.424 nan 8.180 nan 0.000 0.380 311 L N 2.298 123.539 121.223 0.029 0.000 2.388 311 L HA 0.121 4.461 4.340 -0.001 0.000 0.252 311 L C 1.615 178.560 176.870 0.127 0.000 1.357 311 L CA -0.166 54.704 54.840 0.050 0.000 1.214 311 L CB -0.258 41.812 42.059 0.018 0.000 1.392 311 L HN 0.574 nan 8.230 nan 0.000 0.432 312 Q N 1.169 121.071 119.800 0.169 0.000 2.016 312 Q HA -0.040 4.300 4.340 -0.001 0.000 0.200 312 Q C 0.177 176.235 176.000 0.095 0.000 0.978 312 Q CA 0.852 56.735 55.803 0.133 0.000 0.833 312 Q CB -0.105 28.705 28.738 0.121 0.000 0.895 312 Q HN 0.576 nan 8.270 nan 0.000 0.427 313 R N 0.172 120.736 120.500 0.106 0.000 2.599 313 R HA 0.658 4.998 4.340 -0.001 0.000 0.295 313 R C -1.223 175.149 176.300 0.119 0.000 0.963 313 R CA 0.085 56.237 56.100 0.087 0.000 0.883 313 R CB 2.059 32.404 30.300 0.075 0.000 1.171 313 R HN 0.382 nan 8.270 nan 0.000 0.450 314 A N 1.474 124.356 122.820 0.103 0.000 2.269 314 A HA 0.297 4.616 4.320 -0.001 0.000 0.319 314 A C 0.684 178.372 177.584 0.173 0.000 1.110 314 A CA -0.521 51.617 52.037 0.168 0.000 0.847 314 A CB 0.889 19.969 19.000 0.134 0.000 1.161 314 A HN 0.837 nan 8.150 nan 0.000 0.497 315 Q N 0.831 120.775 119.800 0.240 0.000 2.079 315 Q HA 0.173 4.513 4.340 -0.001 0.000 0.200 315 Q C 0.887 176.968 176.000 0.134 0.000 0.974 315 Q CA 1.606 57.521 55.803 0.187 0.000 0.840 315 Q CB -0.717 28.164 28.738 0.239 0.000 0.898 315 Q HN 0.775 nan 8.270 nan 0.000 0.430 316 G N -1.372 107.537 108.800 0.182 0.000 2.557 316 G HA2 0.306 4.266 3.960 -0.001 0.000 0.302 316 G HA3 0.306 4.266 3.960 -0.001 0.000 0.302 316 G C -0.517 174.437 174.900 0.089 0.000 1.311 316 G CA -0.251 44.930 45.100 0.135 0.000 1.030 316 G HN 0.365 nan 8.290 nan 0.000 0.509 317 H N -0.779 118.420 119.070 0.215 0.000 2.394 317 H HA -0.106 4.450 4.556 -0.001 0.000 0.297 317 H C 1.371 176.865 175.328 0.275 0.000 1.113 317 H CA 1.429 57.623 56.048 0.244 0.000 1.277 317 H CB 0.166 30.102 29.762 0.291 0.000 1.370 317 H HN 0.327 nan 8.280 nan 0.000 0.506 318 N N 1.305 120.271 118.700 0.443 0.000 2.458 318 N HA -0.076 4.664 4.740 -0.001 0.000 0.270 318 N C -0.686 174.922 175.510 0.163 0.000 1.102 318 N CA 0.014 53.290 53.050 0.378 0.000 0.967 318 N CB 0.360 39.147 38.487 0.500 0.000 1.078 318 N HN 0.171 nan 8.380 nan 0.000 0.471 319 N N 2.615 121.315 118.700 0.001 0.000 3.228 319 N HA 0.206 4.946 4.740 -0.001 0.000 0.289 319 N C 0.088 175.391 175.510 -0.345 0.000 1.419 319 N CA 0.059 53.037 53.050 -0.120 0.000 1.088 319 N CB -0.557 37.902 38.487 -0.046 0.000 1.357 319 N HN 0.779 nan 8.380 nan 0.000 0.504 320 G N 1.901 110.193 108.800 -0.847 0.000 2.338 320 G HA2 -0.227 3.732 3.960 -0.001 0.000 0.296 320 G HA3 -0.227 3.732 3.960 -0.001 0.000 0.296 320 G C -0.055 174.550 174.900 -0.491 0.000 1.040 320 G CA -0.188 44.215 45.100 -1.162 0.000 1.004 320 G HN 0.426 nan 8.290 nan 0.000 0.509 321 I N 0.492 120.796 120.570 -0.443 0.000 2.301 321 I HA 0.156 4.325 4.170 -0.001 0.000 0.292 321 I C 1.029 176.851 176.117 -0.492 0.000 1.046 321 I CA -0.856 60.120 61.300 -0.541 0.000 1.282 321 I CB 0.795 38.284 38.000 -0.851 0.000 1.409 321 I HN 0.216 nan 8.210 nan 0.000 0.484 322 C N 6.100 125.237 119.300 -0.271 0.000 2.756 322 C HA 0.157 4.617 4.460 -0.001 0.000 0.504 322 C C 0.551 175.500 174.990 -0.069 0.000 1.028 322 C CA -1.211 57.766 59.018 -0.067 0.000 1.167 322 C CB -2.342 25.396 27.740 -0.003 0.000 1.444 322 C HN 0.601 nan 8.230 nan 0.000 0.577 323 W N 1.007 122.383 121.300 0.127 0.000 2.293 323 W HA 0.193 4.852 4.660 -0.001 0.000 0.342 323 W C 1.328 177.867 176.519 0.034 0.000 1.274 323 W CA 0.657 58.039 57.345 0.061 0.000 1.290 323 W CB 0.123 29.588 29.460 0.009 0.000 1.176 323 W HN 0.680 nan 8.180 nan 0.000 0.570 324 S N 2.118 117.994 115.700 0.293 0.000 3.672 324 S HA -0.288 4.182 4.470 -0.001 0.000 0.319 324 S C 0.142 174.805 174.600 0.105 0.000 1.151 324 S CA 0.704 58.990 58.200 0.143 0.000 0.911 324 S CB -1.911 61.358 63.200 0.115 0.000 0.939 324 S HN 0.763 nan 8.310 nan 0.000 0.524 325 N N -0.237 118.524 118.700 0.102 0.000 2.701 325 N HA -0.225 4.515 4.740 -0.001 0.000 0.250 325 N C -0.139 175.346 175.510 -0.042 0.000 1.046 325 N CA 1.585 54.651 53.050 0.025 0.000 0.733 325 N CB -0.664 37.833 38.487 0.017 0.000 0.973 325 N HN 0.796 nan 8.380 nan 0.000 0.541 326 Q N -0.547 119.248 119.800 -0.008 0.000 2.484 326 Q HA 0.788 5.128 4.340 -0.001 0.000 0.285 326 Q C -0.844 175.162 176.000 0.011 0.000 1.097 326 Q CA -0.693 55.081 55.803 -0.049 0.000 0.802 326 Q CB 2.332 31.093 28.738 0.038 0.000 1.444 326 Q HN 0.200 nan 8.270 nan 0.000 0.429 327 L N 1.887 123.060 121.223 -0.084 0.000 2.641 327 L HA 0.442 4.782 4.340 -0.001 0.000 0.261 327 L C -1.737 175.057 176.870 -0.127 0.000 0.926 327 L CA -0.438 54.414 54.840 0.020 0.000 0.917 327 L CB 1.573 43.608 42.059 -0.041 0.000 1.361 327 L HN 0.598 nan 8.230 nan 0.000 0.417 328 F N 2.917 122.836 119.950 -0.052 0.000 2.426 328 F HA 0.468 4.995 4.527 -0.001 0.000 0.348 328 F C 0.163 175.975 175.800 0.020 0.000 1.124 328 F CA -0.716 57.230 58.000 -0.089 0.000 1.008 328 F CB 1.968 40.839 39.000 -0.215 0.000 1.139 328 F HN -0.053 nan 8.300 nan 0.000 0.452 329 V N 3.649 123.728 119.914 0.276 0.000 2.311 329 V HA 0.366 4.486 4.120 -0.001 0.000 0.275 329 V C -0.195 176.078 176.094 0.298 0.000 1.022 329 V CA -0.415 62.079 62.300 0.324 0.000 0.830 329 V CB 1.278 33.326 31.823 0.375 0.000 1.012 329 V HN 0.803 nan 8.190 nan 0.000 0.452 330 T N 4.201 118.885 114.554 0.216 0.000 2.902 330 T HA 0.786 5.136 4.350 -0.001 0.000 0.283 330 T C -0.504 174.316 174.700 0.200 0.000 1.009 330 T CA -0.590 61.598 62.100 0.148 0.000 1.051 330 T CB 2.043 70.981 68.868 0.117 0.000 0.999 330 T HN 0.332 nan 8.240 nan 0.000 0.474 331 V N 2.302 122.315 119.914 0.165 0.000 2.882 331 V HA 0.438 4.558 4.120 -0.001 0.000 0.295 331 V C -0.961 175.227 176.094 0.156 0.000 1.273 331 V CA -0.774 61.654 62.300 0.214 0.000 0.949 331 V CB 2.225 34.162 31.823 0.190 0.000 1.071 331 V HN 0.765 nan 8.190 nan 0.000 0.432 332 V N 3.029 123.060 119.914 0.196 0.000 2.823 332 V HA 0.821 4.941 4.120 -0.001 0.000 0.312 332 V C -1.333 174.931 176.094 0.284 0.000 1.072 332 V CA -0.405 61.943 62.300 0.081 0.000 0.937 332 V CB 2.332 34.038 31.823 -0.195 0.000 1.013 332 V HN 0.992 nan 8.190 nan 0.000 0.430 333 D N 1.265 121.810 120.400 0.242 0.000 2.419 333 D HA 0.241 4.881 4.640 -0.001 0.000 0.219 333 D C 0.283 176.717 176.300 0.223 0.000 1.349 333 D CA 0.034 54.236 54.000 0.337 0.000 0.964 333 D CB 1.682 42.807 40.800 0.541 0.000 1.463 333 D HN 0.559 nan 8.370 nan 0.000 0.573 334 T N -0.584 114.077 114.554 0.177 0.000 3.069 334 T HA 0.055 4.405 4.350 -0.001 0.000 0.252 334 T C 1.705 176.484 174.700 0.133 0.000 1.053 334 T CA 0.616 62.810 62.100 0.157 0.000 0.964 334 T CB 0.090 69.044 68.868 0.144 0.000 1.005 334 T HN 0.403 nan 8.240 nan 0.000 0.532 335 T N 0.595 115.229 114.554 0.133 0.000 3.007 335 T HA 0.018 4.368 4.350 -0.001 0.000 0.270 335 T C 1.730 176.482 174.700 0.087 0.000 1.107 335 T CA 0.343 62.503 62.100 0.100 0.000 1.118 335 T CB -0.253 68.670 68.868 0.092 0.000 0.889 335 T HN 0.346 nan 8.240 nan 0.000 0.506 336 R N 0.884 121.450 120.500 0.109 0.000 2.476 336 R HA 0.207 4.547 4.340 -0.001 0.000 0.276 336 R C 2.023 178.405 176.300 0.137 0.000 0.941 336 R CA 0.604 56.765 56.100 0.102 0.000 1.088 336 R CB 0.220 30.574 30.300 0.090 0.000 1.216 336 R HN 0.586 nan 8.270 nan 0.000 0.533 337 S N 0.877 116.654 115.700 0.128 0.000 2.672 337 S HA -0.099 4.371 4.470 -0.001 0.000 0.250 337 S C 0.726 175.168 174.600 -0.263 0.000 0.975 337 S CA 0.333 58.578 58.200 0.076 0.000 0.971 337 S CB -1.022 62.232 63.200 0.090 0.000 0.765 337 S HN 0.170 nan 8.310 nan 0.000 0.543 338 T N 1.950 116.381 114.554 -0.205 0.000 2.888 338 T HA 0.225 4.574 4.350 -0.001 0.000 0.301 338 T C -0.262 174.180 174.700 -0.431 0.000 1.001 338 T CA -0.670 61.277 62.100 -0.254 0.000 1.147 338 T CB -0.019 68.777 68.868 -0.121 0.000 0.931 338 T HN 0.455 nan 8.240 nan 0.000 0.541 339 N N 3.353 121.847 118.700 -0.343 0.000 2.485 339 N HA 0.313 5.052 4.740 -0.001 0.000 0.243 339 N C 0.406 175.813 175.510 -0.171 0.000 0.987 339 N CA -0.634 52.233 53.050 -0.304 0.000 0.940 339 N CB 0.697 38.982 38.487 -0.336 0.000 1.122 339 N HN 0.711 nan 8.380 nan 0.000 0.509 340 M N 0.230 119.764 119.600 -0.111 0.000 2.248 340 M HA 0.238 4.718 4.480 -0.001 0.000 0.345 340 M C -0.486 175.776 176.300 -0.064 0.000 1.243 340 M CA 0.043 55.306 55.300 -0.062 0.000 1.090 340 M CB 0.278 32.864 32.600 -0.023 0.000 1.683 340 M HN 0.290 nan 8.290 nan 0.000 0.450 341 S N 2.857 118.533 115.700 -0.039 0.000 2.509 341 S HA 0.751 5.221 4.470 -0.001 0.000 0.297 341 S C -0.173 174.446 174.600 0.032 0.000 1.118 341 S CA -0.970 57.221 58.200 -0.015 0.000 1.074 341 S CB 1.830 65.018 63.200 -0.020 0.000 1.038 341 S HN 0.866 nan 8.310 nan 0.000 0.498 342 V N -0.560 119.406 119.914 0.086 0.000 2.448 342 V HA 0.717 4.837 4.120 -0.001 0.000 0.295 342 V C -0.091 176.125 176.094 0.202 0.000 1.025 342 V CA -0.975 61.395 62.300 0.117 0.000 0.859 342 V CB 0.301 32.175 31.823 0.085 0.000 0.988 342 V HN 1.159 nan 8.190 nan 0.000 0.431 343 C N 4.708 124.110 119.300 0.170 0.000 2.329 343 C HA 0.832 5.292 4.460 -0.001 0.000 0.329 343 C C 0.347 175.491 174.990 0.256 0.000 1.275 343 C CA 0.282 59.435 59.018 0.224 0.000 1.726 343 C CB 0.707 28.551 27.740 0.175 0.000 2.291 343 C HN 1.208 nan 8.230 nan 0.000 0.514 344 S N 3.724 119.615 115.700 0.317 0.000 2.502 344 S HA 0.777 5.247 4.470 -0.001 0.000 0.304 344 S C -0.186 174.506 174.600 0.153 0.000 1.097 344 S CA -0.217 58.115 58.200 0.220 0.000 1.045 344 S CB 1.255 64.576 63.200 0.202 0.000 1.019 344 S HN 1.377 nan 8.310 nan 0.000 0.481 345 A N 3.529 126.354 122.820 0.008 0.000 2.316 345 A HA 0.499 4.819 4.320 -0.001 0.000 0.284 345 A C 1.167 178.650 177.584 -0.168 0.000 1.115 345 A CA -0.581 51.303 52.037 -0.254 0.000 0.812 345 A CB 0.413 19.107 19.000 -0.510 0.000 1.064 345 A HN 0.937 nan 8.150 nan 0.000 0.489 346 V N 1.295 121.082 119.914 -0.212 0.000 2.913 346 V HA -0.006 4.114 4.120 -0.001 0.000 0.260 346 V C 0.927 176.944 176.094 -0.129 0.000 1.098 346 V CA 1.786 64.008 62.300 -0.129 0.000 1.121 346 V CB -1.463 30.290 31.823 -0.117 0.000 0.714 346 V HN 1.315 nan 8.190 nan 0.000 0.487 347 S N -0.895 114.696 115.700 -0.183 0.000 2.240 347 S HA 0.078 4.548 4.470 -0.001 0.000 0.281 347 S C 0.113 174.614 174.600 -0.166 0.000 0.842 347 S CA -0.012 58.105 58.200 -0.139 0.000 0.942 347 S CB 0.449 63.584 63.200 -0.108 0.000 1.241 347 S HN 0.458 nan 8.310 nan 0.000 0.407 348 S N 1.943 117.567 115.700 -0.127 0.000 3.009 348 S HA 0.103 4.573 4.470 -0.001 0.000 0.243 348 S C 1.303 175.862 174.600 -0.069 0.000 1.012 348 S CA 0.153 58.290 58.200 -0.105 0.000 1.113 348 S CB -0.857 62.307 63.200 -0.061 0.000 0.827 348 S HN 1.396 nan 8.310 nan 0.000 0.495 349 S N -0.336 115.320 115.700 -0.074 0.000 2.575 349 S HA 0.136 4.606 4.470 -0.001 0.000 0.215 349 S C 0.011 174.586 174.600 -0.041 0.000 0.966 349 S CA -0.519 57.652 58.200 -0.047 0.000 0.911 349 S CB -0.109 63.065 63.200 -0.043 0.000 0.780 349 S HN 0.446 nan 8.310 nan 0.000 0.514 350 D N 2.244 122.611 120.400 -0.056 0.000 2.294 350 D HA 0.382 5.022 4.640 -0.001 0.000 0.250 350 D C 0.559 176.855 176.300 -0.006 0.000 1.058 350 D CA -0.145 53.834 54.000 -0.036 0.000 0.950 350 D CB 1.687 42.451 40.800 -0.059 0.000 1.158 350 D HN 0.346 nan 8.370 nan 0.000 0.453 351 S N -1.527 114.181 115.700 0.012 0.000 2.629 351 S HA 0.188 4.658 4.470 -0.001 0.000 0.236 351 S C 0.356 174.991 174.600 0.058 0.000 1.010 351 S CA -0.364 57.856 58.200 0.033 0.000 0.981 351 S CB 0.255 63.470 63.200 0.025 0.000 0.919 351 S HN 0.341 nan 8.310 nan 0.000 0.514 352 T N 1.347 115.939 114.554 0.063 0.000 2.900 352 T HA 0.428 4.777 4.350 -0.001 0.000 0.295 352 T C -1.465 173.315 174.700 0.135 0.000 1.044 352 T CA -0.556 61.604 62.100 0.101 0.000 0.995 352 T CB 1.284 70.200 68.868 0.080 0.000 1.072 352 T HN 0.260 nan 8.240 nan 0.000 0.473 353 Y N 2.650 123.011 120.300 0.101 0.000 2.496 353 Y HA 0.351 4.901 4.550 -0.000 0.000 0.334 353 Y C 0.171 176.151 175.900 0.133 0.000 1.080 353 Y CA 0.402 58.589 58.100 0.143 0.000 1.355 353 Y CB 0.167 38.659 38.460 0.054 0.000 1.193 353 Y HN 0.413 nan 8.280 nan 0.000 0.523 354 K N 4.857 125.190 120.400 -0.112 0.000 2.535 354 K HA 0.231 4.551 4.320 -0.001 0.000 0.250 354 K C 0.018 176.615 176.600 -0.006 0.000 0.948 354 K CA -0.769 55.545 56.287 0.045 0.000 0.796 354 K CB 1.659 34.181 32.500 0.036 0.000 1.216 354 K HN 0.618 nan 8.250 nan 0.000 0.432 355 N N 1.332 120.117 118.700 0.142 0.000 2.104 355 N HA -0.192 4.547 4.740 -0.001 0.000 0.190 355 N C 0.718 176.316 175.510 0.148 0.000 1.024 355 N CA 1.323 54.482 53.050 0.183 0.000 0.853 355 N CB 0.041 38.639 38.487 0.185 0.000 1.008 355 N HN 0.561 nan 8.380 nan 0.000 0.424 356 D N 0.198 120.650 120.400 0.086 0.000 2.203 356 D HA -0.185 4.455 4.640 -0.001 0.000 0.199 356 D C 1.301 177.609 176.300 0.013 0.000 0.997 356 D CA 0.988 55.014 54.000 0.044 0.000 0.863 356 D CB -0.393 40.418 40.800 0.018 0.000 0.928 356 D HN 0.330 nan 8.370 nan 0.000 0.458 357 N N -0.938 117.750 118.700 -0.019 0.000 2.494 357 N HA -0.072 4.668 4.740 -0.001 0.000 0.182 357 N C -0.534 174.743 175.510 -0.388 0.000 1.076 357 N CA 0.278 53.194 53.050 -0.225 0.000 0.908 357 N CB 0.181 38.446 38.487 -0.370 0.000 0.967 357 N HN -0.089 nan 8.380 nan 0.000 0.449 358 F N -0.085 119.805 119.950 -0.100 0.000 2.538 358 F HA 0.520 5.047 4.527 -0.000 0.000 0.325 358 F C 0.034 175.826 175.800 -0.014 0.000 1.066 358 F CA -1.022 56.952 58.000 -0.044 0.000 0.946 358 F CB 1.595 40.569 39.000 -0.044 0.000 1.199 358 F HN -0.380 nan 8.300 nan 0.000 0.473 359 K N 1.770 122.292 120.400 0.202 0.000 2.376 359 K HA 0.371 4.691 4.320 -0.001 0.000 0.257 359 K C -0.900 175.682 176.600 -0.029 0.000 0.939 359 K CA -0.840 55.465 56.287 0.030 0.000 0.809 359 K CB 2.013 34.549 32.500 0.059 0.000 1.121 359 K HN 0.516 nan 8.250 nan 0.000 0.425 360 E N 2.347 122.429 120.200 -0.198 0.000 2.204 360 E HA 0.305 4.654 4.350 -0.001 0.000 0.276 360 E C -0.855 175.519 176.600 -0.377 0.000 0.974 360 E CA -0.452 55.884 56.400 -0.107 0.000 0.815 360 E CB 1.348 31.027 29.700 -0.036 0.000 1.119 360 E HN 0.368 nan 8.360 nan 0.000 0.393 361 Y N 0.113 120.433 120.300 0.033 0.000 2.634 361 Y HA 0.500 5.049 4.550 -0.001 0.000 0.340 361 Y C -0.095 175.763 175.900 -0.070 0.000 1.058 361 Y CA -0.907 57.206 58.100 0.023 0.000 1.081 361 Y CB 1.580 40.061 38.460 0.035 0.000 1.295 361 Y HN 0.247 nan 8.280 nan 0.000 0.487 362 L N 2.542 123.741 121.223 -0.041 0.000 2.381 362 L HA 0.615 4.955 4.340 -0.001 0.000 0.274 362 L C -1.017 175.675 176.870 -0.296 0.000 0.988 362 L CA -0.837 53.832 54.840 -0.285 0.000 0.824 362 L CB 1.458 43.137 42.059 -0.634 0.000 1.263 362 L HN 0.533 nan 8.230 nan 0.000 0.410 363 R N 2.376 122.769 120.500 -0.179 0.000 2.575 363 R HA 0.424 4.764 4.340 -0.001 0.000 0.293 363 R C -1.361 174.933 176.300 -0.011 0.000 0.983 363 R CA -0.676 55.371 56.100 -0.087 0.000 0.887 363 R CB 2.145 32.436 30.300 -0.015 0.000 1.184 363 R HN 0.671 nan 8.270 nan 0.000 0.445 364 H N 0.188 119.196 119.070 -0.104 0.000 2.589 364 H HA 0.590 5.146 4.556 -0.001 0.000 0.351 364 H C -0.794 174.534 175.328 -0.000 0.000 1.074 364 H CA -0.766 55.249 56.048 -0.056 0.000 1.203 364 H CB 1.992 31.714 29.762 -0.067 0.000 1.558 364 H HN 0.773 nan 8.280 nan 0.000 0.522 365 G N 3.747 112.661 108.800 0.190 0.000 2.557 365 G HA2 0.226 4.186 3.960 -0.001 0.000 0.310 365 G HA3 0.226 4.186 3.960 -0.001 0.000 0.310 365 G C -0.985 173.907 174.900 -0.013 0.000 1.328 365 G CA -0.526 44.591 45.100 0.029 0.000 0.945 365 G HN 0.559 nan 8.290 nan 0.000 0.494 366 E N 0.614 120.786 120.200 -0.047 0.000 2.301 366 E HA 0.404 4.754 4.350 -0.001 0.000 0.275 366 E C -0.259 176.423 176.600 0.136 0.000 1.030 366 E CA -0.268 56.156 56.400 0.040 0.000 0.852 366 E CB 1.328 31.129 29.700 0.168 0.000 1.060 366 E HN 0.565 nan 8.360 nan 0.000 0.401 367 E N 3.368 123.584 120.200 0.026 0.000 2.265 367 E HA 0.248 4.598 4.350 -0.001 0.000 0.262 367 E C -1.451 175.072 176.600 -0.130 0.000 0.889 367 E CA -0.489 55.926 56.400 0.026 0.000 0.789 367 E CB 0.589 30.289 29.700 0.001 0.000 1.221 367 E HN 0.452 nan 8.360 nan 0.000 0.414 368 Y N 1.641 121.887 120.300 -0.089 0.000 2.633 368 Y HA 0.445 4.994 4.550 -0.001 0.000 0.339 368 Y C -0.619 175.137 175.900 -0.241 0.000 1.045 368 Y CA -0.788 57.177 58.100 -0.224 0.000 1.098 368 Y CB 2.167 40.409 38.460 -0.363 0.000 1.296 368 Y HN 0.566 nan 8.280 nan 0.000 0.494 369 D N 0.821 121.149 120.400 -0.120 0.000 2.354 369 D HA 0.340 4.979 4.640 -0.001 0.000 0.230 369 D C -2.053 174.077 176.300 -0.283 0.000 1.361 369 D CA -0.225 53.675 54.000 -0.167 0.000 0.992 369 D CB 0.490 41.214 40.800 -0.126 0.000 1.409 369 D HN 0.434 nan 8.370 nan 0.000 0.573 370 L N 3.428 124.433 121.223 -0.364 0.000 2.257 370 L HA 0.452 4.792 4.340 -0.001 0.000 0.290 370 L C 0.326 176.828 176.870 -0.613 0.000 1.044 370 L CA -0.550 53.981 54.840 -0.516 0.000 0.810 370 L CB 1.251 43.011 42.059 -0.498 0.000 1.193 370 L HN 0.364 nan 8.230 nan 0.000 0.425 371 Q N 3.170 122.465 119.800 -0.841 0.000 2.257 371 Q HA 0.748 5.087 4.340 -0.001 0.000 0.262 371 Q C -1.334 173.755 176.000 -1.518 0.000 0.997 371 Q CA -0.609 54.656 55.803 -0.895 0.000 0.873 371 Q CB 2.411 30.839 28.738 -0.516 0.000 1.312 371 Q HN 0.352 nan 8.270 nan 0.000 0.450 372 F N 0.049 119.523 119.950 -0.793 0.000 2.685 372 F HA 0.623 5.150 4.527 -0.001 0.000 0.315 372 F C -0.677 174.432 175.800 -1.152 0.000 1.126 372 F CA -0.900 56.514 58.000 -0.976 0.000 0.950 372 F CB 1.643 39.896 39.000 -1.245 0.000 1.360 372 F HN 0.292 nan 8.300 nan 0.000 0.469 373 I N 1.860 121.904 120.570 -0.876 0.000 2.563 373 I HA 0.332 4.502 4.170 -0.001 0.000 0.285 373 I C -1.538 174.233 176.117 -0.576 0.000 1.123 373 I CA -0.180 60.688 61.300 -0.720 0.000 1.059 373 I CB 1.585 39.243 38.000 -0.570 0.000 1.229 373 I HN 0.387 nan 8.210 nan 0.000 0.442 374 F N 3.729 123.538 119.950 -0.235 0.000 2.523 374 F HA 0.542 5.068 4.527 -0.001 0.000 0.329 374 F C 0.223 176.050 175.800 0.045 0.000 1.061 374 F CA -0.724 57.227 58.000 -0.082 0.000 0.967 374 F CB 1.597 40.496 39.000 -0.169 0.000 1.218 374 F HN 0.329 nan 8.300 nan 0.000 0.480 375 Q N 2.091 122.075 119.800 0.307 0.000 2.316 375 Q HA 0.449 4.789 4.340 -0.001 0.000 0.264 375 Q C -1.377 174.693 176.000 0.117 0.000 0.987 375 Q CA -1.177 54.604 55.803 -0.037 0.000 0.852 375 Q CB 2.121 30.745 28.738 -0.190 0.000 1.287 375 Q HN 0.722 nan 8.270 nan 0.000 0.448 376 L N 4.039 125.267 121.223 0.008 0.000 2.361 376 L HA 0.324 4.664 4.340 -0.001 0.000 0.278 376 L C -1.330 175.321 176.870 -0.366 0.000 1.113 376 L CA 0.204 54.838 54.840 -0.342 0.000 0.849 376 L CB 0.444 42.143 42.059 -0.600 0.000 1.155 376 L HN 0.727 nan 8.230 nan 0.000 0.452 377 C N 4.271 123.335 119.300 -0.393 0.000 2.595 377 C HA 0.717 5.177 4.460 -0.001 0.000 0.338 377 C C -0.338 174.472 174.990 -0.300 0.000 1.219 377 C CA -0.916 57.935 59.018 -0.279 0.000 1.811 377 C CB 1.872 29.495 27.740 -0.196 0.000 2.313 377 C HN 0.905 nan 8.230 nan 0.000 0.499 378 K N 1.005 121.294 120.400 -0.185 0.000 2.316 378 K HA 0.847 5.167 4.320 -0.001 0.000 0.251 378 K C -1.680 174.911 176.600 -0.015 0.000 0.934 378 K CA -0.365 55.840 56.287 -0.138 0.000 0.802 378 K CB 1.226 33.662 32.500 -0.107 0.000 1.171 378 K HN 0.659 nan 8.250 nan 0.000 0.426 379 I N 2.521 123.100 120.570 0.014 0.000 2.439 379 I HA 0.151 4.321 4.170 -0.001 0.000 0.285 379 I C -0.699 175.471 176.117 0.088 0.000 1.021 379 I CA -0.898 60.472 61.300 0.117 0.000 1.091 379 I CB 2.234 40.378 38.000 0.241 0.000 1.242 379 I HN 0.663 nan 8.210 nan 0.000 0.439 380 T N 7.381 122.003 114.554 0.113 0.000 2.723 380 T HA 0.378 4.728 4.350 -0.001 0.000 0.297 380 T C 0.213 174.969 174.700 0.094 0.000 0.925 380 T CA -0.317 61.832 62.100 0.082 0.000 1.030 380 T CB 0.173 69.086 68.868 0.075 0.000 0.905 380 T HN 0.293 nan 8.240 nan 0.000 0.502 381 L N 5.256 126.521 121.223 0.071 0.000 2.385 381 L HA 0.286 4.626 4.340 -0.001 0.000 0.285 381 L C 1.312 178.223 176.870 0.068 0.000 1.125 381 L CA -0.559 54.338 54.840 0.096 0.000 0.890 381 L CB -0.495 41.628 42.059 0.105 0.000 1.251 381 L HN 0.698 nan 8.230 nan 0.000 0.445 382 T N -0.989 113.607 114.554 0.070 0.000 2.948 382 T HA 0.610 4.960 4.350 -0.001 0.000 0.285 382 T C 1.317 176.043 174.700 0.045 0.000 1.019 382 T CA -0.176 61.953 62.100 0.049 0.000 1.013 382 T CB 1.923 70.819 68.868 0.046 0.000 1.117 382 T HN 0.399 nan 8.240 nan 0.000 0.533 383 A N 1.475 124.313 122.820 0.031 0.000 1.882 383 A HA -0.250 4.070 4.320 -0.001 0.000 0.220 383 A C 1.973 179.573 177.584 0.027 0.000 1.253 383 A CA 2.525 54.576 52.037 0.024 0.000 0.664 383 A CB -1.456 17.553 19.000 0.015 0.000 0.838 383 A HN 0.980 nan 8.150 nan 0.000 0.460 384 D N -0.417 119.998 120.400 0.026 0.000 2.075 384 D HA -0.100 4.540 4.640 -0.001 0.000 0.196 384 D C 2.155 178.475 176.300 0.034 0.000 0.985 384 D CA 1.787 55.801 54.000 0.023 0.000 0.834 384 D CB -0.886 39.918 40.800 0.008 0.000 0.987 384 D HN 0.255 nan 8.370 nan 0.000 0.452 385 V N 1.699 121.629 119.914 0.027 0.000 2.313 385 V HA -0.321 3.798 4.120 -0.001 0.000 0.253 385 V C 2.646 178.771 176.094 0.052 0.000 1.070 385 V CA 1.683 63.996 62.300 0.022 0.000 1.057 385 V CB -0.622 31.248 31.823 0.078 0.000 0.653 385 V HN 0.204 nan 8.190 nan 0.000 0.450 386 M N -0.149 119.491 119.600 0.067 0.000 2.067 386 M HA -0.196 4.284 4.480 -0.001 0.000 0.260 386 M C 2.407 178.745 176.300 0.064 0.000 1.069 386 M CA 2.520 57.863 55.300 0.071 0.000 1.117 386 M CB -0.706 31.936 32.600 0.071 0.000 1.334 386 M HN 0.529 nan 8.290 nan 0.000 0.407 387 T N -0.472 114.112 114.554 0.050 0.000 2.620 387 T HA -0.285 4.064 4.350 -0.001 0.000 0.267 387 T C 1.505 176.249 174.700 0.073 0.000 1.044 387 T CA 2.015 64.139 62.100 0.040 0.000 1.161 387 T CB -0.838 68.045 68.868 0.026 0.000 0.862 387 T HN 0.452 nan 8.240 nan 0.000 0.438 388 Y N 1.224 121.479 120.300 -0.075 0.000 2.293 388 Y HA 0.081 4.631 4.550 -0.001 0.000 0.291 388 Y C 2.002 177.791 175.900 -0.184 0.000 1.137 388 Y CA 0.632 58.664 58.100 -0.114 0.000 1.202 388 Y CB -0.345 38.008 38.460 -0.179 0.000 0.990 388 Y HN 0.197 nan 8.280 nan 0.000 0.537 389 I N -0.838 119.626 120.570 -0.176 0.000 2.761 389 I HA -0.227 3.943 4.170 -0.001 0.000 0.261 389 I C 2.451 178.333 176.117 -0.392 0.000 1.198 389 I CA 0.875 61.939 61.300 -0.393 0.000 1.482 389 I CB -0.468 37.356 38.000 -0.292 0.000 1.100 389 I HN 0.340 nan 8.210 nan 0.000 0.445 390 H N 1.245 120.150 119.070 -0.276 0.000 2.284 390 H HA -0.092 4.464 4.556 -0.001 0.000 0.304 390 H C 2.251 177.429 175.328 -0.251 0.000 1.069 390 H CA 2.006 57.917 56.048 -0.229 0.000 1.327 390 H CB 0.115 29.797 29.762 -0.133 0.000 1.387 390 H HN 0.154 nan 8.280 nan 0.000 0.498 391 S N 1.051 116.757 115.700 0.009 0.000 2.400 391 S HA -0.193 4.277 4.470 -0.001 0.000 0.232 391 S C 2.365 176.850 174.600 -0.191 0.000 1.025 391 S CA 1.432 59.614 58.200 -0.030 0.000 0.993 391 S CB -0.323 62.870 63.200 -0.011 0.000 0.808 391 S HN 0.442 nan 8.310 nan 0.000 0.478 392 M N 1.200 120.525 119.600 -0.458 0.000 2.126 392 M HA -0.083 4.397 4.480 -0.001 0.000 0.259 392 M C 0.471 176.409 176.300 -0.603 0.000 1.073 392 M CA 1.584 56.384 55.300 -0.833 0.000 1.103 392 M CB 0.027 31.880 32.600 -1.245 0.000 1.284 392 M HN 0.316 nan 8.290 nan 0.000 0.420 393 N N -1.205 117.142 118.700 -0.590 0.000 2.697 393 N HA 0.183 4.923 4.740 -0.001 0.000 0.271 393 N C -2.484 172.704 175.510 -0.538 0.000 1.149 393 N CA -1.187 51.564 53.050 -0.499 0.000 0.939 393 N CB 1.680 39.858 38.487 -0.514 0.000 1.534 393 N HN -0.066 nan 8.380 nan 0.000 0.556 394 P HA -0.106 nan 4.420 nan 0.000 0.217 394 P C 1.103 178.147 177.300 -0.427 0.000 1.150 394 P CA 1.064 63.807 63.100 -0.595 0.000 0.832 394 P CB 0.347 31.673 31.700 -0.623 0.000 0.787 395 S N 0.365 115.856 115.700 -0.348 0.000 2.365 395 S HA -0.175 4.294 4.470 -0.001 0.000 0.225 395 S C 2.003 176.358 174.600 -0.408 0.000 1.039 395 S CA 1.404 59.430 58.200 -0.291 0.000 1.033 395 S CB -1.210 61.858 63.200 -0.220 0.000 0.887 395 S HN 0.134 nan 8.310 nan 0.000 0.447 396 I N 1.192 121.434 120.570 -0.547 0.000 2.147 396 I HA -0.297 3.873 4.170 -0.001 0.000 0.245 396 I C 2.117 177.576 176.117 -1.096 0.000 1.059 396 I CA 1.491 62.255 61.300 -0.894 0.000 1.320 396 I CB -0.476 36.934 38.000 -0.983 0.000 1.021 396 I HN 0.254 nan 8.210 nan 0.000 0.415 397 L N -0.267 120.588 121.223 -0.614 0.000 2.095 397 L HA -0.118 4.222 4.340 -0.001 0.000 0.204 397 L C 2.567 179.368 176.870 -0.115 0.000 1.080 397 L CA 1.126 55.802 54.840 -0.273 0.000 0.759 397 L CB -0.507 41.472 42.059 -0.134 0.000 0.914 397 L HN 0.222 nan 8.230 nan 0.000 0.439 398 E N 0.114 120.208 120.200 -0.176 0.000 2.110 398 E HA -0.209 4.140 4.350 -0.001 0.000 0.193 398 E C 1.290 177.856 176.600 -0.057 0.000 0.988 398 E CA 1.151 57.496 56.400 -0.091 0.000 0.804 398 E CB -0.080 29.551 29.700 -0.114 0.000 0.745 398 E HN 0.491 nan 8.360 nan 0.000 0.458 399 D N -0.317 120.002 120.400 -0.135 0.000 2.371 399 D HA -0.097 4.542 4.640 -0.001 0.000 0.221 399 D C 0.550 176.924 176.300 0.124 0.000 0.986 399 D CA 0.439 54.411 54.000 -0.048 0.000 0.899 399 D CB -0.013 40.723 40.800 -0.106 0.000 0.902 399 D HN 0.281 nan 8.370 nan 0.000 0.530 400 W N 2.610 123.913 121.300 0.004 0.000 3.387 400 W HA 0.116 4.776 4.660 -0.001 0.000 0.403 400 W C 0.371 176.898 176.519 0.014 0.000 1.073 400 W CA -0.340 57.015 57.345 0.015 0.000 1.866 400 W CB -1.235 28.239 29.460 0.023 0.000 0.981 400 W HN 0.079 nan 8.180 nan 0.000 0.802 441 L N 1.194 122.463 121.223 0.078 0.000 3.320 441 L HA 0.360 4.700 4.340 -0.001 0.000 0.331 441 L C 1.467 178.325 176.870 -0.021 0.000 1.306 441 L CA -0.281 54.628 54.840 0.115 0.000 0.892 441 L CB 1.272 43.583 42.059 0.419 0.000 1.337 441 L HN -0.012 nan 8.230 nan 0.000 0.604 442 K N 0.484 120.836 120.400 -0.080 0.000 2.362 442 K HA -0.053 4.267 4.320 -0.001 0.000 0.200 442 K C 1.064 177.562 176.600 -0.169 0.000 1.046 442 K CA 1.120 57.355 56.287 -0.087 0.000 0.952 442 K CB 0.305 32.763 32.500 -0.070 0.000 0.753 442 K HN 0.452 nan 8.250 nan 0.000 0.466 443 N N -0.355 118.141 118.700 -0.340 0.000 2.409 443 N HA -0.037 4.703 4.740 -0.001 0.000 0.174 443 N C -0.174 175.072 175.510 -0.439 0.000 1.037 443 N CA 0.429 53.216 53.050 -0.439 0.000 0.898 443 N CB 0.197 38.333 38.487 -0.584 0.000 1.010 443 N HN 0.159 nan 8.380 nan 0.000 0.445 444 Y N 1.319 121.489 120.300 -0.217 0.000 2.310 444 Y HA 0.186 4.735 4.550 -0.001 0.000 0.326 444 Y C 0.863 176.429 175.900 -0.557 0.000 1.151 444 Y CA -0.929 56.913 58.100 -0.430 0.000 1.195 444 Y CB 0.981 39.080 38.460 -0.601 0.000 1.210 444 Y HN -0.165 nan 8.280 nan 0.000 0.483 445 T N 0.905 115.251 114.554 -0.347 0.000 2.770 445 T HA 0.579 4.928 4.350 -0.001 0.000 0.297 445 T C -0.836 173.727 174.700 -0.228 0.000 0.997 445 T CA -0.624 61.322 62.100 -0.257 0.000 0.949 445 T CB -0.283 68.526 68.868 -0.098 0.000 0.941 445 T HN 0.402 nan 8.240 nan 0.000 0.457 446 F N 1.338 121.363 119.950 0.126 0.000 2.556 446 F HA 0.519 5.046 4.527 -0.001 0.000 0.327 446 F C 0.248 176.145 175.800 0.162 0.000 1.059 446 F CA -1.710 56.371 58.000 0.134 0.000 0.953 446 F CB 1.403 40.505 39.000 0.170 0.000 1.227 446 F HN 0.534 nan 8.300 nan 0.000 0.478 447 W N 3.806 125.193 121.300 0.146 0.000 2.388 447 W HA 0.193 4.852 4.660 -0.001 0.000 0.308 447 W C -0.640 175.991 176.519 0.187 0.000 1.263 447 W CA -0.567 56.847 57.345 0.116 0.000 1.286 447 W CB 0.468 29.958 29.460 0.051 0.000 1.294 447 W HN 0.486 nan 8.180 nan 0.000 0.493 448 E N 4.543 125.055 120.200 0.521 0.000 2.229 448 E HA 0.244 4.594 4.350 -0.001 0.000 0.283 448 E C -0.830 175.995 176.600 0.375 0.000 1.030 448 E CA -0.434 56.166 56.400 0.332 0.000 0.836 448 E CB 2.201 32.019 29.700 0.196 0.000 1.068 448 E HN 0.165 nan 8.360 nan 0.000 0.401 449 V N 3.809 123.855 119.914 0.220 0.000 2.380 449 V HA 0.091 4.211 4.120 -0.001 0.000 0.286 449 V C -0.255 175.876 176.094 0.062 0.000 1.015 449 V CA -0.828 61.561 62.300 0.149 0.000 0.834 449 V CB 1.752 33.613 31.823 0.063 0.000 1.009 449 V HN 0.506 nan 8.190 nan 0.000 0.428 450 D N 4.982 125.428 120.400 0.077 0.000 2.347 450 D HA 0.353 4.993 4.640 -0.001 0.000 0.235 450 D C 0.205 176.543 176.300 0.063 0.000 1.149 450 D CA -0.110 53.918 54.000 0.047 0.000 0.850 450 D CB 1.582 42.415 40.800 0.056 0.000 1.061 450 D HN 0.460 nan 8.370 nan 0.000 0.487 451 L N 3.926 125.180 121.223 0.051 0.000 3.066 451 L HA 0.182 4.522 4.340 -0.001 0.000 0.265 451 L C 1.942 178.870 176.870 0.098 0.000 1.232 451 L CA -0.213 54.704 54.840 0.129 0.000 1.031 451 L CB 0.418 42.598 42.059 0.201 0.000 1.379 451 L HN 0.153 nan 8.230 nan 0.000 0.563 452 K N 0.503 120.902 120.400 -0.003 0.000 2.097 452 K HA -0.168 4.152 4.320 -0.001 0.000 0.206 452 K C 1.295 177.916 176.600 0.034 0.000 1.049 452 K CA 1.170 57.407 56.287 -0.085 0.000 0.933 452 K CB 0.246 32.723 32.500 -0.038 0.000 0.717 452 K HN 0.040 nan 8.250 nan 0.000 0.442 453 E N 0.438 120.703 120.200 0.109 0.000 2.444 453 E HA 0.020 4.370 4.350 -0.001 0.000 0.191 453 E C 0.030 176.765 176.600 0.225 0.000 1.041 453 E CA 0.276 56.776 56.400 0.166 0.000 0.883 453 E CB 0.409 30.184 29.700 0.126 0.000 1.024 453 E HN 0.031 nan 8.360 nan 0.000 0.470 454 K N 0.010 120.576 120.400 0.276 0.000 2.455 454 K HA 0.141 4.461 4.320 -0.001 0.000 0.206 454 K C -0.461 176.356 176.600 0.361 0.000 1.027 454 K CA -0.272 56.188 56.287 0.289 0.000 1.113 454 K CB 0.458 33.094 32.500 0.228 0.000 0.850 454 K HN 0.013 nan 8.250 nan 0.000 0.503 455 F N 1.371 121.413 119.950 0.154 0.000 2.412 455 F HA 0.188 4.715 4.527 -0.001 0.000 0.348 455 F C 0.982 176.978 175.800 0.328 0.000 1.102 455 F CA -0.252 57.867 58.000 0.199 0.000 1.196 455 F CB 1.332 40.402 39.000 0.118 0.000 1.144 455 F HN -0.171 nan 8.300 nan 0.000 0.541 456 S N 1.286 117.178 115.700 0.320 0.000 2.667 456 S HA 0.820 5.289 4.470 -0.001 0.000 0.292 456 S C 0.025 174.621 174.600 -0.007 0.000 1.126 456 S CA 0.008 58.354 58.200 0.244 0.000 0.881 456 S CB 1.686 65.026 63.200 0.233 0.000 1.132 456 S HN 0.697 nan 8.310 nan 0.000 0.492 457 A N 0.958 123.683 122.820 -0.158 0.000 2.508 457 A HA 0.354 4.674 4.320 -0.001 0.000 0.250 457 A C -0.288 177.221 177.584 -0.126 0.000 1.208 457 A CA -0.190 51.552 52.037 -0.492 0.000 0.960 457 A CB 0.175 18.736 19.000 -0.731 0.000 1.099 457 A HN 0.738 nan 8.150 nan 0.000 0.542 458 D N 1.843 122.266 120.400 0.039 0.000 2.563 458 D HA 0.229 4.869 4.640 -0.001 0.000 0.222 458 D C 1.209 177.617 176.300 0.181 0.000 1.145 458 D CA -0.170 53.887 54.000 0.095 0.000 1.001 458 D CB 0.633 41.493 40.800 0.101 0.000 1.049 458 D HN 0.336 nan 8.370 nan 0.000 0.515 459 L N 0.273 121.570 121.223 0.124 0.000 2.051 459 L HA -0.244 4.096 4.340 -0.001 0.000 0.214 459 L C 2.174 179.178 176.870 0.223 0.000 1.076 459 L CA 1.169 56.109 54.840 0.167 0.000 0.758 459 L CB -0.491 41.650 42.059 0.136 0.000 0.890 459 L HN 0.217 nan 8.230 nan 0.000 0.433 460 D N 0.277 120.760 120.400 0.139 0.000 2.218 460 D HA -0.242 4.397 4.640 -0.001 0.000 0.194 460 D C 2.017 178.347 176.300 0.051 0.000 1.007 460 D CA 1.389 55.440 54.000 0.086 0.000 0.879 460 D CB -0.010 40.813 40.800 0.040 0.000 0.918 460 D HN 0.302 nan 8.370 nan 0.000 0.449 461 Q N -1.015 118.805 119.800 0.034 0.000 2.515 461 Q HA 0.042 4.381 4.340 -0.001 0.000 0.212 461 Q C -0.377 175.278 176.000 -0.573 0.000 0.970 461 Q CA 0.444 56.042 55.803 -0.342 0.000 0.941 461 Q CB -0.111 28.273 28.738 -0.590 0.000 0.998 461 Q HN 0.344 nan 8.270 nan 0.000 0.518 462 F N -0.660 119.203 119.950 -0.144 0.000 2.608 462 F HA 0.260 4.787 4.527 -0.001 0.000 0.309 462 F C -1.704 174.071 175.800 -0.042 0.000 1.103 462 F CA -2.371 55.526 58.000 -0.172 0.000 0.954 462 F CB 1.449 40.172 39.000 -0.461 0.000 1.267 462 F HN -0.285 nan 8.300 nan 0.000 0.444 463 P HA -0.213 nan 4.420 nan 0.000 0.214 463 P C 1.872 179.257 177.300 0.141 0.000 1.163 463 P CA 1.528 64.692 63.100 0.106 0.000 0.889 463 P CB 0.696 32.431 31.700 0.058 0.000 0.790 464 L N -0.345 120.974 121.223 0.159 0.000 2.046 464 L HA -0.076 4.264 4.340 -0.001 0.000 0.208 464 L C 2.489 179.516 176.870 0.261 0.000 1.077 464 L CA 2.417 57.342 54.840 0.141 0.000 0.747 464 L CB -1.500 40.547 42.059 -0.020 0.000 0.896 464 L HN 0.025 nan 8.230 nan 0.000 0.432 465 G N -0.443 108.531 108.800 0.290 0.000 2.442 465 G HA2 -0.297 3.663 3.960 -0.001 0.000 0.219 465 G HA3 -0.297 3.663 3.960 -0.001 0.000 0.219 465 G C 1.723 176.768 174.900 0.243 0.000 1.141 465 G CA 0.646 45.907 45.100 0.268 0.000 0.763 465 G HN 0.330 nan 8.290 nan 0.000 0.554 466 R N 0.195 120.808 120.500 0.189 0.000 2.062 466 R HA 0.013 4.353 4.340 -0.001 0.000 0.231 466 R C 2.703 179.061 176.300 0.096 0.000 1.136 466 R CA 1.473 57.642 56.100 0.114 0.000 0.948 466 R CB -0.206 30.141 30.300 0.079 0.000 0.845 466 R HN 0.276 nan 8.270 nan 0.000 0.430 467 K N -0.187 120.302 120.400 0.148 0.000 2.000 467 K HA -0.247 4.073 4.320 -0.001 0.000 0.218 467 K C 1.901 178.552 176.600 0.085 0.000 1.053 467 K CA 2.126 58.519 56.287 0.176 0.000 0.946 467 K CB -0.511 32.186 32.500 0.328 0.000 0.723 467 K HN 0.075 nan 8.250 nan 0.000 0.446 468 F N 2.085 122.038 119.950 0.006 0.000 2.027 468 F HA -0.308 4.218 4.527 -0.001 0.000 0.297 468 F C 1.914 177.494 175.800 -0.368 0.000 1.129 468 F CA 1.629 59.407 58.000 -0.369 0.000 1.195 468 F CB -0.643 38.250 39.000 -0.178 0.000 0.960 468 F HN -0.034 nan 8.300 nan 0.000 0.485 469 L N -0.428 120.624 121.223 -0.285 0.000 1.997 469 L HA -0.324 4.016 4.340 -0.001 0.000 0.227 469 L C 2.517 179.160 176.870 -0.378 0.000 1.087 469 L CA 1.755 56.386 54.840 -0.349 0.000 0.797 469 L CB -1.254 40.757 42.059 -0.079 0.000 0.902 469 L HN 0.363 nan 8.230 nan 0.000 0.441 470 L N -0.387 120.696 121.223 -0.235 0.000 1.956 470 L HA -0.287 4.053 4.340 -0.001 0.000 0.216 470 L C 2.692 179.396 176.870 -0.276 0.000 1.073 470 L CA 2.041 56.764 54.840 -0.196 0.000 0.762 470 L CB -0.976 41.022 42.059 -0.103 0.000 0.889 470 L HN 0.376 nan 8.230 nan 0.000 0.433 471 Q N -0.324 119.268 119.800 -0.345 0.000 2.096 471 Q HA -0.186 4.154 4.340 -0.001 0.000 0.204 471 Q C 1.923 177.585 176.000 -0.562 0.000 0.982 471 Q CA 2.063 57.612 55.803 -0.423 0.000 0.850 471 Q CB -0.321 28.076 28.738 -0.568 0.000 0.901 471 Q HN 0.642 nan 8.270 nan 0.000 0.422 472 A N -0.453 121.881 122.820 -0.809 0.000 2.209 472 A HA 0.257 4.576 4.320 -0.001 0.000 0.212 472 A C 1.408 178.710 177.584 -0.470 0.000 1.158 472 A CA 1.561 53.142 52.037 -0.759 0.000 0.742 472 A CB -0.468 17.816 19.000 -1.193 0.000 0.790 472 A HN 0.679 nan 8.150 nan 0.000 0.472 473 G N -0.461 108.109 108.800 -0.383 0.000 3.298 473 G HA2 -0.244 3.715 3.960 -0.001 0.000 0.260 473 G HA3 -0.244 3.715 3.960 -0.001 0.000 0.260 473 G C 0.391 175.161 174.900 -0.217 0.000 1.681 473 G CA 0.012 44.966 45.100 -0.243 0.000 1.094 473 G HN 1.246 nan 8.290 nan 0.000 0.575 474 L N 0.000 121.112 121.223 -0.185 0.000 2.949 474 L HA 0.000 4.340 4.340 -0.001 0.000 0.249 474 L CA 0.000 54.757 54.840 -0.139 0.000 0.813 474 L CB 0.000 42.008 42.059 -0.085 0.000 0.961 474 L HN 0.000 nan 8.230 nan 0.000 0.502