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_F 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 0.000 177.606 177.584 0.037 0.000 1.274 20 A CA 0.000 52.047 52.037 0.017 0.000 0.836 20 A CB 0.000 19.008 19.000 0.013 0.000 0.831 21 V N 1.677 121.530 119.914 -0.102 0.000 3.051 21 V HA 0.499 4.619 4.120 -0.000 0.000 0.306 21 V C 0.484 176.515 176.094 -0.106 0.000 1.083 21 V CA 0.081 62.283 62.300 -0.165 0.000 1.104 21 V CB 1.356 32.834 31.823 -0.575 0.000 1.027 21 V HN 0.861 nan 8.190 nan 0.000 0.483 22 V N 1.616 121.583 119.914 0.089 0.000 3.167 22 V HA 0.526 4.646 4.120 -0.000 0.000 0.310 22 V C -0.189 176.095 176.094 0.318 0.000 1.207 22 V CA -0.623 61.740 62.300 0.106 0.000 1.059 22 V CB 2.416 34.220 31.823 -0.032 0.000 1.079 22 V HN 0.889 nan 8.190 nan 0.000 0.446 23 S N 0.002 115.890 115.700 0.312 0.000 2.554 23 S HA 0.203 4.672 4.470 -0.000 0.000 0.278 23 S C 1.368 176.031 174.600 0.106 0.000 1.242 23 S CA 0.386 58.766 58.200 0.300 0.000 1.051 23 S CB 1.375 64.698 63.200 0.205 0.000 0.986 23 S HN 1.309 nan 8.310 nan 0.000 0.502 24 T N 1.147 115.718 114.554 0.028 0.000 2.969 24 T HA -0.133 4.217 4.350 -0.000 0.000 0.271 24 T C 0.657 175.133 174.700 -0.373 0.000 1.127 24 T CA 1.663 63.508 62.100 -0.424 0.000 1.102 24 T CB -0.677 68.088 68.868 -0.172 0.000 0.855 24 T HN 0.686 nan 8.240 nan 0.000 0.536 25 D N 1.141 121.462 120.400 -0.131 0.000 2.312 25 D HA -0.009 4.631 4.640 -0.000 0.000 0.211 25 D C 1.894 178.158 176.300 -0.060 0.000 0.964 25 D CA 0.573 54.528 54.000 -0.076 0.000 0.877 25 D CB -0.124 40.668 40.800 -0.014 0.000 0.924 25 D HN 0.527 nan 8.370 nan 0.000 0.515 26 E N -0.218 119.953 120.200 -0.049 0.000 2.479 26 E HA 0.001 4.351 4.350 -0.000 0.000 0.193 26 E C 0.321 177.003 176.600 0.138 0.000 1.049 26 E CA 0.062 56.492 56.400 0.049 0.000 0.870 26 E CB 0.246 30.008 29.700 0.104 0.000 0.944 26 E HN 0.595 nan 8.360 nan 0.000 0.492 27 Y N -3.523 116.840 120.300 0.105 0.000 3.024 27 Y HA 0.335 4.885 4.550 -0.000 0.000 0.283 27 Y C -0.373 175.636 175.900 0.181 0.000 1.040 27 Y CA -0.551 57.630 58.100 0.134 0.000 1.283 27 Y CB -0.073 38.480 38.460 0.154 0.000 1.367 27 Y HN -0.275 nan 8.280 nan 0.000 0.589 28 V N 1.688 121.545 119.914 -0.094 0.000 2.487 28 V HA 0.542 4.662 4.120 -0.000 0.000 0.298 28 V C 0.028 176.113 176.094 -0.015 0.000 1.028 28 V CA -0.432 61.871 62.300 0.006 0.000 0.860 28 V CB 1.678 33.449 31.823 -0.086 0.000 0.991 28 V HN 0.348 nan 8.190 nan 0.000 0.427 29 T N 4.944 119.502 114.554 0.007 0.000 2.934 29 T HA 0.549 4.899 4.350 -0.000 0.000 0.283 29 T C -0.029 174.643 174.700 -0.048 0.000 1.005 29 T CA -0.640 61.452 62.100 -0.013 0.000 1.041 29 T CB 1.006 69.874 68.868 0.001 0.000 1.042 29 T HN 0.463 nan 8.240 nan 0.000 0.505 30 R N 1.106 121.577 120.500 -0.049 0.000 2.720 30 R HA 0.715 5.054 4.340 -0.000 0.000 0.272 30 R C 0.035 176.293 176.300 -0.070 0.000 0.991 30 R CA -0.600 55.460 56.100 -0.067 0.000 1.010 30 R CB 1.768 32.047 30.300 -0.034 0.000 1.141 30 R HN 0.887 nan 8.270 nan 0.000 0.494 31 T N -2.965 111.526 114.554 -0.104 0.000 2.865 31 T HA 0.280 4.630 4.350 -0.000 0.000 0.294 31 T C 0.189 174.849 174.700 -0.067 0.000 1.119 31 T CA -0.843 61.214 62.100 -0.070 0.000 1.007 31 T CB 1.383 70.195 68.868 -0.094 0.000 1.225 31 T HN 0.531 nan 8.240 nan 0.000 0.515 32 N N 0.500 119.219 118.700 0.030 0.000 2.509 32 N HA 0.183 4.922 4.740 -0.000 0.000 0.239 32 N C -0.625 174.973 175.510 0.147 0.000 1.215 32 N CA -0.190 52.942 53.050 0.137 0.000 0.882 32 N CB -0.146 38.441 38.487 0.166 0.000 1.189 32 N HN 0.398 nan 8.380 nan 0.000 0.490 33 I N 1.470 121.986 120.570 -0.089 0.000 2.410 33 I HA 0.284 4.454 4.170 -0.000 0.000 0.286 33 I C -0.653 175.393 176.117 -0.119 0.000 1.009 33 I CA -0.790 60.531 61.300 0.036 0.000 1.111 33 I CB 0.136 38.183 38.000 0.079 0.000 1.262 33 I HN -0.033 nan 8.210 nan 0.000 0.443 34 Y N 5.536 125.936 120.300 0.167 0.000 2.524 34 Y HA 0.640 5.190 4.550 -0.000 0.000 0.344 34 Y C -0.732 175.199 175.900 0.051 0.000 1.012 34 Y CA -0.730 57.412 58.100 0.070 0.000 1.068 34 Y CB 2.230 40.541 38.460 -0.249 0.000 1.249 34 Y HN 0.348 nan 8.280 nan 0.000 0.468 35 Y N 0.502 120.825 120.300 0.038 0.000 2.524 35 Y HA 0.307 4.857 4.550 -0.000 0.000 0.347 35 Y C -0.565 175.167 175.900 -0.280 0.000 1.005 35 Y CA -1.182 56.897 58.100 -0.036 0.000 1.025 35 Y CB 1.685 40.128 38.460 -0.028 0.000 1.275 35 Y HN 0.579 nan 8.280 nan 0.000 0.460 36 H N 2.075 120.988 119.070 -0.261 0.000 2.458 36 H HA 0.838 5.394 4.556 -0.000 0.000 0.330 36 H C -1.520 173.508 175.328 -0.501 0.000 1.111 36 H CA -0.416 55.360 56.048 -0.453 0.000 1.245 36 H CB 1.491 30.850 29.762 -0.671 0.000 1.456 36 H HN 0.813 nan 8.280 nan 0.000 0.488 37 A N 3.257 125.474 122.820 -1.003 0.000 2.359 37 A HA 0.626 4.946 4.320 -0.000 0.000 0.303 37 A C -0.626 176.746 177.584 -0.353 0.000 1.066 37 A CA -0.102 51.645 52.037 -0.483 0.000 0.730 37 A CB 1.434 20.224 19.000 -0.349 0.000 1.211 37 A HN 0.809 nan 8.150 nan 0.000 0.439 38 G N 1.053 109.839 108.800 -0.024 0.000 2.739 38 G HA2 0.569 4.529 3.960 -0.000 0.000 0.292 38 G HA3 0.569 4.529 3.960 -0.000 0.000 0.292 38 G C -0.217 174.743 174.900 0.100 0.000 1.444 38 G CA 0.236 45.361 45.100 0.043 0.000 1.144 38 G HN 1.483 nan 8.290 nan 0.000 0.550 39 S N 1.407 117.150 115.700 0.072 0.000 2.585 39 S HA 0.586 5.056 4.470 -0.000 0.000 0.273 39 S C 1.163 175.790 174.600 0.044 0.000 1.339 39 S CA 0.290 58.521 58.200 0.052 0.000 1.028 39 S CB 1.088 64.279 63.200 -0.014 0.000 0.906 39 S HN 1.633 nan 8.310 nan 0.000 0.528 40 S N 1.932 117.670 115.700 0.063 0.000 2.633 40 S HA 0.228 4.697 4.470 -0.000 0.000 0.257 40 S C 0.358 174.984 174.600 0.044 0.000 1.265 40 S CA -0.901 57.339 58.200 0.067 0.000 0.980 40 S CB 0.004 63.253 63.200 0.082 0.000 1.017 40 S HN 0.987 nan 8.310 nan 0.000 0.577 41 R N -0.059 120.474 120.500 0.054 0.000 2.538 41 R HA 0.180 4.520 4.340 -0.000 0.000 0.282 41 R C -1.111 175.241 176.300 0.087 0.000 1.009 41 R CA 0.024 56.156 56.100 0.053 0.000 1.063 41 R CB -0.397 29.938 30.300 0.059 0.000 0.945 41 R HN 0.644 nan 8.270 nan 0.000 0.414 42 L N 6.760 128.030 121.223 0.079 0.000 2.294 42 L HA 0.399 4.739 4.340 -0.000 0.000 0.283 42 L C -0.453 176.563 176.870 0.243 0.000 1.015 42 L CA -0.496 54.441 54.840 0.161 0.000 0.831 42 L CB 1.284 43.282 42.059 -0.102 0.000 1.217 42 L HN 0.559 nan 8.230 nan 0.000 0.420 43 L N 2.842 124.269 121.223 0.339 0.000 2.298 43 L HA 1.000 5.340 4.340 -0.000 0.000 0.268 43 L C -0.166 176.934 176.870 0.383 0.000 1.010 43 L CA -0.672 54.342 54.840 0.290 0.000 0.812 43 L CB 2.073 44.239 42.059 0.177 0.000 1.331 43 L HN 0.683 nan 8.230 nan 0.000 0.450 44 A N 0.701 123.675 122.820 0.257 0.000 2.555 44 A HA 0.754 5.074 4.320 -0.000 0.000 0.297 44 A C -1.737 175.898 177.584 0.085 0.000 1.060 44 A CA -0.417 51.729 52.037 0.182 0.000 0.710 44 A CB 1.547 20.722 19.000 0.292 0.000 1.282 44 A HN 0.311 nan 8.150 nan 0.000 0.399 45 V N 0.744 120.681 119.914 0.039 0.000 3.012 45 V HA 0.971 5.091 4.120 -0.000 0.000 0.307 45 V C 0.531 176.633 176.094 0.014 0.000 1.166 45 V CA 0.313 62.624 62.300 0.019 0.000 0.974 45 V CB 1.983 33.823 31.823 0.029 0.000 1.040 45 V HN 2.165 nan 8.190 nan 0.000 0.428 46 G N 0.965 109.776 108.800 0.018 0.000 2.364 46 G HA2 0.326 4.285 3.960 -0.000 0.000 0.286 46 G HA3 0.326 4.285 3.960 -0.000 0.000 0.286 46 G C -1.752 173.183 174.900 0.058 0.000 1.241 46 G CA -0.620 44.506 45.100 0.042 0.000 0.887 46 G HN 0.755 nan 8.290 nan 0.000 0.484 47 H N 2.035 121.072 119.070 -0.055 0.000 2.489 47 H HA 0.385 4.940 4.556 -0.000 0.000 0.322 47 H C -1.491 173.744 175.328 -0.155 0.000 1.091 47 H CA -1.590 54.369 56.048 -0.150 0.000 1.291 47 H CB 2.724 32.373 29.762 -0.188 0.000 1.436 47 H HN 0.191 nan 8.280 nan 0.000 0.480 48 P HA -0.092 nan 4.420 nan 0.000 0.239 48 P C 0.224 177.527 177.300 0.006 0.000 1.184 48 P CA 1.125 64.097 63.100 -0.214 0.000 0.760 48 P CB 0.151 31.578 31.700 -0.455 0.000 0.884 49 Y N -0.996 119.329 120.300 0.042 0.000 2.678 49 Y HA 0.144 4.694 4.550 -0.000 0.000 0.274 49 Y C 0.916 176.885 175.900 0.115 0.000 1.114 49 Y CA -0.640 57.471 58.100 0.019 0.000 1.274 49 Y CB 0.497 38.889 38.460 -0.114 0.000 1.438 49 Y HN -0.146 nan 8.280 nan 0.000 0.493 50 Y N -1.527 119.021 120.300 0.414 0.000 2.638 50 Y HA 0.803 5.353 4.550 -0.000 0.000 0.335 50 Y C -0.835 175.091 175.900 0.042 0.000 1.155 50 Y CA -2.684 55.501 58.100 0.142 0.000 1.046 50 Y CB 0.451 38.947 38.460 0.060 0.000 1.303 50 Y HN -0.100 nan 8.280 nan 0.000 0.460 51 A N 1.796 124.787 122.820 0.285 0.000 2.354 51 A HA 0.671 4.991 4.320 -0.000 0.000 0.269 51 A C -0.789 176.880 177.584 0.142 0.000 1.109 51 A CA -0.491 51.637 52.037 0.152 0.000 0.800 51 A CB -0.212 18.840 19.000 0.087 0.000 1.045 51 A HN 0.660 nan 8.150 nan 0.000 0.489 52 I N 3.219 123.841 120.570 0.085 0.000 2.330 52 I HA 0.211 4.381 4.170 -0.000 0.000 0.286 52 I C 0.487 176.626 176.117 0.035 0.000 1.025 52 I CA -0.259 61.078 61.300 0.062 0.000 1.197 52 I CB 1.009 39.038 38.000 0.049 0.000 1.358 52 I HN 0.756 nan 8.210 nan 0.000 0.467 53 K N 4.516 124.927 120.400 0.019 0.000 2.148 53 K HA 0.524 4.843 4.320 -0.000 0.000 0.239 53 K C -0.140 176.463 176.600 0.005 0.000 1.018 53 K CA -1.185 55.106 56.287 0.007 0.000 0.923 53 K CB 0.756 33.255 32.500 -0.002 0.000 1.117 53 K HN 0.084 nan 8.250 nan 0.000 0.477 54 K N 0.863 121.263 120.400 0.000 0.000 2.527 54 K HA -0.150 4.170 4.320 -0.000 0.000 0.278 54 K C 0.936 177.533 176.600 -0.004 0.000 0.981 54 K CA 0.636 56.922 56.287 -0.001 0.000 1.009 54 K CB 0.696 33.193 32.500 -0.005 0.000 0.895 54 K HN 0.694 nan 8.250 nan 0.000 0.493 55 Q N 1.994 121.793 119.800 -0.001 0.000 2.135 55 Q HA -0.179 4.161 4.340 -0.000 0.000 0.204 55 Q C 0.403 176.397 176.000 -0.010 0.000 0.981 55 Q CA 2.283 58.083 55.803 -0.004 0.000 0.856 55 Q CB 0.168 28.906 28.738 0.001 0.000 0.902 55 Q HN 0.798 nan 8.270 nan 0.000 0.425 56 D N -1.349 119.046 120.400 -0.009 0.000 2.805 56 D HA 0.032 4.672 4.640 -0.000 0.000 0.271 56 D C 0.473 176.766 176.300 -0.012 0.000 1.166 56 D CA 0.438 54.432 54.000 -0.011 0.000 1.004 56 D CB -0.695 40.099 40.800 -0.009 0.000 1.136 56 D HN 0.137 nan 8.370 nan 0.000 0.444 57 S N 1.284 116.978 115.700 -0.010 0.000 2.540 57 S HA -0.098 4.372 4.470 -0.000 0.000 0.272 57 S C 0.915 175.507 174.600 -0.013 0.000 1.357 57 S CA 0.175 58.368 58.200 -0.011 0.000 1.011 57 S CB 0.206 63.400 63.200 -0.010 0.000 0.852 57 S HN 0.338 nan 8.310 nan 0.000 0.535 58 N N 1.395 120.088 118.700 -0.013 0.000 2.200 58 N HA 0.085 4.825 4.740 -0.000 0.000 0.224 58 N C -0.341 175.162 175.510 -0.012 0.000 1.179 58 N CA -0.391 52.651 53.050 -0.014 0.000 0.877 58 N CB 0.102 38.581 38.487 -0.015 0.000 1.072 58 N HN 0.484 nan 8.380 nan 0.000 0.519 59 K N 1.416 121.809 120.400 -0.012 0.000 2.298 59 K HA 0.155 4.475 4.320 -0.000 0.000 0.280 59 K C -0.098 176.496 176.600 -0.010 0.000 1.032 59 K CA -0.568 55.711 56.287 -0.013 0.000 0.958 59 K CB 0.730 33.222 32.500 -0.014 0.000 0.978 59 K HN -0.090 nan 8.250 nan 0.000 0.472 60 I N 4.620 125.183 120.570 -0.011 0.000 2.581 60 I HA -0.057 4.113 4.170 -0.000 0.000 0.285 60 I C 1.170 177.283 176.117 -0.007 0.000 1.129 60 I CA 0.441 61.737 61.300 -0.005 0.000 1.397 60 I CB -0.156 37.839 38.000 -0.009 0.000 1.399 60 I HN 0.795 nan 8.210 nan 0.000 0.537 61 A N 7.093 129.914 122.820 0.000 0.000 1.887 61 A HA 0.191 4.510 4.320 -0.000 0.000 0.212 61 A C 0.809 178.393 177.584 0.001 0.000 1.198 61 A CA 0.622 52.659 52.037 -0.001 0.000 0.628 61 A CB 0.207 19.209 19.000 0.003 0.000 0.847 61 A HN 0.437 nan 8.150 nan 0.000 0.449 62 V N 2.004 121.927 119.914 0.014 0.000 2.487 62 V HA 0.372 4.492 4.120 -0.000 0.000 0.298 62 V C -2.495 173.616 176.094 0.029 0.000 1.028 62 V CA -1.894 60.419 62.300 0.021 0.000 0.860 62 V CB 1.897 33.744 31.823 0.040 0.000 0.991 62 V HN 0.314 nan 8.190 nan 0.000 0.427 63 P HA 0.226 nan 4.420 nan 0.000 0.277 63 P C -1.036 176.299 177.300 0.057 0.000 1.271 63 P CA -0.718 62.395 63.100 0.023 0.000 0.795 63 P CB 1.271 32.963 31.700 -0.014 0.000 1.101 64 K N 0.552 120.993 120.400 0.069 0.000 2.284 64 K HA 0.364 4.683 4.320 -0.000 0.000 0.287 64 K C -1.213 175.429 176.600 0.070 0.000 1.081 64 K CA -0.462 55.882 56.287 0.095 0.000 0.910 64 K CB -0.020 32.554 32.500 0.123 0.000 1.088 64 K HN 0.139 nan 8.250 nan 0.000 0.478 65 V N 3.783 123.730 119.914 0.054 0.000 2.376 65 V HA 0.294 4.414 4.120 -0.000 0.000 0.287 65 V C -0.589 175.514 176.094 0.015 0.000 1.015 65 V CA -0.701 61.609 62.300 0.017 0.000 0.834 65 V CB 1.144 32.945 31.823 -0.037 0.000 1.001 65 V HN 0.816 nan 8.190 nan 0.000 0.428 66 S N 3.265 119.014 115.700 0.083 0.000 2.568 66 S HA 0.660 5.130 4.470 -0.000 0.000 0.293 66 S C 1.178 175.905 174.600 0.212 0.000 1.089 66 S CA 0.191 58.509 58.200 0.197 0.000 0.945 66 S CB 2.017 65.352 63.200 0.225 0.000 1.077 66 S HN 0.878 nan 8.310 nan 0.000 0.485 67 G N 1.785 110.814 108.800 0.381 0.000 2.598 67 G HA2 0.067 4.027 3.960 -0.000 0.000 0.215 67 G HA3 0.067 4.027 3.960 -0.000 0.000 0.215 67 G C 0.687 175.715 174.900 0.214 0.000 1.131 67 G CA 0.251 45.553 45.100 0.336 0.000 0.785 67 G HN 0.634 nan 8.290 nan 0.000 0.539 68 L N 0.393 121.745 121.223 0.214 0.000 2.672 68 L HA 0.269 4.609 4.340 -0.000 0.000 0.236 68 L C 1.086 178.021 176.870 0.109 0.000 1.186 68 L CA 0.168 55.107 54.840 0.165 0.000 0.977 68 L CB -0.081 42.118 42.059 0.233 0.000 1.203 68 L HN 0.193 nan 8.230 nan 0.000 0.448 69 Q N -1.785 118.081 119.800 0.109 0.000 2.252 69 Q HA 0.432 4.772 4.340 -0.000 0.000 0.256 69 Q C -1.190 174.840 176.000 0.051 0.000 1.020 69 Q CA -0.825 55.045 55.803 0.113 0.000 0.913 69 Q CB 1.548 30.377 28.738 0.152 0.000 1.286 69 Q HN -0.000 nan 8.270 nan 0.000 0.480 70 Y N -0.003 120.335 120.300 0.065 0.000 2.403 70 Y HA 0.401 4.951 4.550 -0.000 0.000 0.323 70 Y C -0.003 175.863 175.900 -0.057 0.000 1.226 70 Y CA -0.484 57.634 58.100 0.029 0.000 1.235 70 Y CB 1.127 39.599 38.460 0.019 0.000 1.248 70 Y HN 0.191 nan 8.280 nan 0.000 0.489 71 R N 1.874 122.371 120.500 -0.004 0.000 2.472 71 R HA 0.358 4.698 4.340 -0.000 0.000 0.294 71 R C -1.883 174.160 176.300 -0.428 0.000 1.243 71 R CA -0.667 55.172 56.100 -0.435 0.000 1.023 71 R CB 0.747 30.527 30.300 -0.867 0.000 1.157 71 R HN 0.422 nan 8.270 nan 0.000 0.530 72 V N 3.810 123.562 119.914 -0.270 0.000 2.348 72 V HA 0.469 4.589 4.120 -0.000 0.000 0.270 72 V C -0.005 175.934 176.094 -0.259 0.000 1.037 72 V CA -0.488 61.721 62.300 -0.153 0.000 0.872 72 V CB 0.370 32.179 31.823 -0.024 0.000 1.002 72 V HN 0.379 nan 8.190 nan 0.000 0.464 73 F N 3.669 123.558 119.950 -0.103 0.000 2.426 73 F HA 0.561 5.088 4.527 -0.000 0.000 0.348 73 F C 0.577 176.124 175.800 -0.422 0.000 1.124 73 F CA -0.640 57.278 58.000 -0.137 0.000 1.008 73 F CB 1.685 40.588 39.000 -0.162 0.000 1.139 73 F HN 0.359 nan 8.300 nan 0.000 0.452 74 R N 3.333 123.671 120.500 -0.269 0.000 2.196 74 R HA 0.561 4.901 4.340 -0.000 0.000 0.340 74 R C -1.512 174.622 176.300 -0.278 0.000 1.043 74 R CA -0.345 55.354 56.100 -0.669 0.000 0.883 74 R CB 0.781 30.915 30.300 -0.277 0.000 1.078 74 R HN 0.509 nan 8.270 nan 0.000 0.462 75 V N 5.857 125.564 119.914 -0.346 0.000 2.347 75 V HA 0.285 4.405 4.120 -0.000 0.000 0.280 75 V C -0.043 175.919 176.094 -0.219 0.000 1.021 75 V CA -0.764 61.400 62.300 -0.226 0.000 0.847 75 V CB 1.364 32.985 31.823 -0.337 0.000 0.990 75 V HN 0.614 nan 8.190 nan 0.000 0.444 76 K N 5.071 125.380 120.400 -0.153 0.000 2.172 76 K HA 0.616 4.936 4.320 -0.000 0.000 0.276 76 K C -0.758 175.713 176.600 -0.215 0.000 1.013 76 K CA -0.320 55.884 56.287 -0.138 0.000 0.913 76 K CB 1.897 34.349 32.500 -0.080 0.000 1.055 76 K HN 0.524 nan 8.250 nan 0.000 0.461 77 L N 4.853 125.926 121.223 -0.251 0.000 2.331 77 L HA 0.422 4.761 4.340 -0.000 0.000 0.275 77 L C -1.952 174.668 176.870 -0.416 0.000 1.022 77 L CA -2.254 52.332 54.840 -0.422 0.000 0.812 77 L CB 1.774 43.547 42.059 -0.476 0.000 1.257 77 L HN 0.360 nan 8.230 nan 0.000 0.435 78 P HA -0.082 nan 4.420 nan 0.000 0.267 78 P C -1.028 176.091 177.300 -0.301 0.000 1.200 78 P CA -0.083 62.669 63.100 -0.581 0.000 0.772 78 P CB 0.806 31.859 31.700 -1.078 0.000 0.855 79 D N 4.156 124.436 120.400 -0.200 0.000 2.352 79 D HA 0.054 4.694 4.640 -0.000 0.000 0.245 79 D C -1.096 175.128 176.300 -0.126 0.000 1.224 79 D CA -2.008 51.939 54.000 -0.088 0.000 0.879 79 D CB 0.739 41.532 40.800 -0.012 0.000 1.057 79 D HN 0.200 nan 8.370 nan 0.000 0.491 80 P HA -0.146 nan 4.420 nan 0.000 0.229 80 P C 0.462 177.759 177.300 -0.005 0.000 1.147 80 P CA 0.757 63.693 63.100 -0.274 0.000 0.766 80 P CB 0.497 31.658 31.700 -0.899 0.000 0.775 81 N N 0.033 118.715 118.700 -0.030 0.000 2.482 81 N HA 0.033 4.773 4.740 -0.000 0.000 0.179 81 N C 1.620 177.174 175.510 0.073 0.000 1.039 81 N CA 0.473 53.530 53.050 0.011 0.000 0.884 81 N CB 0.014 38.470 38.487 -0.052 0.000 1.113 81 N HN 0.261 nan 8.380 nan 0.000 0.440 82 K N 0.445 120.887 120.400 0.070 0.000 2.025 82 K HA -0.022 4.298 4.320 -0.000 0.000 0.207 82 K C 0.437 177.120 176.600 0.137 0.000 1.049 82 K CA 0.491 56.829 56.287 0.085 0.000 0.933 82 K CB -0.218 32.324 32.500 0.070 0.000 0.714 82 K HN -0.049 nan 8.250 nan 0.000 0.438 83 F N 1.616 121.506 119.950 -0.100 0.000 2.642 83 F HA 0.022 4.549 4.527 -0.000 0.000 0.371 83 F C 1.297 176.866 175.800 -0.386 0.000 1.120 83 F CA -0.052 57.782 58.000 -0.276 0.000 1.331 83 F CB 0.160 38.968 39.000 -0.320 0.000 1.044 83 F HN 0.006 nan 8.300 nan 0.000 0.594 84 G N 3.532 112.051 108.800 -0.468 0.000 2.410 84 G HA2 0.566 4.526 3.960 -0.000 0.000 0.330 84 G HA3 0.566 4.526 3.960 -0.000 0.000 0.330 84 G C -1.781 172.650 174.900 -0.782 0.000 1.142 84 G CA -0.498 44.370 45.100 -0.386 0.000 0.902 84 G HN 0.380 nan 8.290 nan 0.000 0.491 85 F N 0.803 120.738 119.950 -0.025 0.000 2.532 85 F HA 0.423 4.950 4.527 -0.000 0.000 0.321 85 F C -1.118 174.667 175.800 -0.025 0.000 1.089 85 F CA -1.838 56.154 58.000 -0.014 0.000 0.926 85 F CB 2.590 41.580 39.000 -0.017 0.000 1.168 85 F HN 0.299 nan 8.300 nan 0.000 0.459 86 P HA -0.172 nan 4.420 nan 0.000 0.213 86 P C 0.867 178.182 177.300 0.024 0.000 1.170 86 P CA 1.535 64.680 63.100 0.076 0.000 0.893 86 P CB 0.213 31.964 31.700 0.086 0.000 0.784 87 D N -0.111 120.329 120.400 0.067 0.000 2.392 87 D HA -0.056 4.584 4.640 -0.000 0.000 0.228 87 D C 0.108 176.284 176.300 -0.208 0.000 1.003 87 D CA 0.528 54.528 54.000 -0.000 0.000 0.917 87 D CB -0.557 40.329 40.800 0.144 0.000 0.890 87 D HN 0.173 nan 8.370 nan 0.000 0.532 88 T N -1.917 112.561 114.554 -0.126 0.000 3.855 88 T HA 0.260 4.610 4.350 -0.000 0.000 0.306 88 T C 1.061 175.671 174.700 -0.150 0.000 1.575 88 T CA -0.102 61.914 62.100 -0.140 0.000 1.214 88 T CB 0.479 69.339 68.868 -0.014 0.000 1.262 88 T HN -0.002 nan 8.240 nan 0.000 0.883 89 S N 0.914 116.306 115.700 -0.514 0.000 2.665 89 S HA 0.160 4.630 4.470 -0.000 0.000 0.240 89 S C 0.838 175.238 174.600 -0.334 0.000 1.081 89 S CA -0.618 57.360 58.200 -0.370 0.000 0.887 89 S CB -0.548 62.466 63.200 -0.310 0.000 0.805 89 S HN 0.575 nan 8.310 nan 0.000 0.486 90 F N 2.026 122.034 119.950 0.096 0.000 2.873 90 F HA 0.640 5.167 4.527 -0.000 0.000 0.289 90 F C -0.147 175.732 175.800 0.133 0.000 1.206 90 F CA -2.067 55.983 58.000 0.083 0.000 1.401 90 F CB -1.126 37.910 39.000 0.060 0.000 0.996 90 F HN 0.262 nan 8.300 nan 0.000 0.511 91 Y N 0.809 121.130 120.300 0.035 0.000 2.477 91 Y HA 0.598 5.148 4.550 -0.000 0.000 0.347 91 Y C -1.808 174.093 175.900 0.002 0.000 0.981 91 Y CA -2.420 55.704 58.100 0.041 0.000 1.033 91 Y CB 1.794 40.245 38.460 -0.016 0.000 1.245 91 Y HN 0.082 nan 8.280 nan 0.000 0.455 92 D N 7.629 127.703 120.400 -0.543 0.000 2.454 92 D HA 0.390 5.030 4.640 -0.000 0.000 0.247 92 D C -2.159 173.649 176.300 -0.819 0.000 1.129 92 D CA -2.660 50.987 54.000 -0.587 0.000 0.877 92 D CB 2.032 42.699 40.800 -0.221 0.000 1.082 92 D HN 0.384 nan 8.370 nan 0.000 0.537 93 P HA -0.113 nan 4.420 nan 0.000 0.225 93 P C 1.021 178.201 177.300 -0.200 0.000 1.148 93 P CA 0.509 63.336 63.100 -0.454 0.000 0.779 93 P CB 0.385 31.930 31.700 -0.259 0.000 0.780 94 A N 1.384 124.093 122.820 -0.185 0.000 1.858 94 A HA -0.141 4.179 4.320 -0.000 0.000 0.216 94 A C 2.382 179.930 177.584 -0.061 0.000 1.190 94 A CA 2.597 54.577 52.037 -0.096 0.000 0.617 94 A CB -1.205 17.745 19.000 -0.082 0.000 0.827 94 A HN 0.413 nan 8.150 nan 0.000 0.443 95 S N -1.682 113.974 115.700 -0.074 0.000 2.520 95 S HA 0.220 4.690 4.470 -0.000 0.000 0.219 95 S C 0.616 175.222 174.600 0.011 0.000 1.028 95 S CA -0.339 57.851 58.200 -0.016 0.000 0.921 95 S CB -0.028 63.169 63.200 -0.005 0.000 0.844 95 S HN 0.626 nan 8.310 nan 0.000 0.495 96 Q N 0.422 120.211 119.800 -0.017 0.000 2.241 96 Q HA 0.699 5.039 4.340 -0.000 0.000 0.262 96 Q C -0.624 175.410 176.000 0.057 0.000 1.014 96 Q CA -1.110 54.738 55.803 0.074 0.000 0.885 96 Q CB 1.143 30.015 28.738 0.223 0.000 1.311 96 Q HN 0.044 nan 8.270 nan 0.000 0.461 97 R N 0.068 120.521 120.500 -0.079 0.000 2.962 97 R HA 0.665 5.004 4.340 -0.000 0.000 0.256 97 R C -1.293 174.742 176.300 -0.443 0.000 1.199 97 R CA -0.867 54.991 56.100 -0.404 0.000 1.012 97 R CB 0.992 30.616 30.300 -1.126 0.000 1.289 97 R HN 0.596 nan 8.270 nan 0.000 0.462 98 L N 0.414 121.283 121.223 -0.589 0.000 2.431 98 L HA 0.671 5.011 4.340 -0.000 0.000 0.266 98 L C -0.794 175.844 176.870 -0.387 0.000 0.978 98 L CA -1.006 53.541 54.840 -0.488 0.000 0.822 98 L CB 2.405 44.114 42.059 -0.584 0.000 1.310 98 L HN 0.149 nan 8.230 nan 0.000 0.409 99 V N -0.342 119.380 119.914 -0.319 0.000 2.914 99 V HA 0.444 4.564 4.120 -0.000 0.000 0.314 99 V C -1.312 174.627 176.094 -0.257 0.000 1.084 99 V CA -0.753 61.454 62.300 -0.156 0.000 0.963 99 V CB 2.356 34.122 31.823 -0.095 0.000 1.025 99 V HN 0.671 nan 8.190 nan 0.000 0.432 100 W N 1.603 122.834 121.300 -0.116 0.000 2.349 100 W HA 0.721 5.381 4.660 -0.000 0.000 0.309 100 W C 0.182 176.686 176.519 -0.025 0.000 1.083 100 W CA -0.415 56.872 57.345 -0.097 0.000 1.224 100 W CB 1.689 31.041 29.460 -0.180 0.000 1.256 100 W HN 0.759 nan 8.180 nan 0.000 0.461 101 A N 3.426 126.428 122.820 0.303 0.000 2.301 101 A HA 0.444 4.764 4.320 -0.000 0.000 0.312 101 A C -0.707 176.982 177.584 0.174 0.000 1.182 101 A CA -0.548 51.572 52.037 0.138 0.000 0.826 101 A CB 0.688 19.681 19.000 -0.011 0.000 1.134 101 A HN 0.732 nan 8.150 nan 0.000 0.501 102 C N 2.513 121.837 119.300 0.041 0.000 2.566 102 C HA 0.455 4.915 4.460 -0.000 0.000 0.393 102 C C 1.532 176.444 174.990 -0.130 0.000 1.309 102 C CA 0.476 59.434 59.018 -0.101 0.000 1.801 102 C CB -0.955 26.709 27.740 -0.127 0.000 2.493 102 C HN 0.899 nan 8.230 nan 0.000 0.575 103 T N 3.259 117.724 114.554 -0.149 0.000 3.038 103 T HA 0.307 4.657 4.350 -0.000 0.000 0.244 103 T C 0.663 175.481 174.700 0.198 0.000 1.016 103 T CA 0.719 62.863 62.100 0.074 0.000 1.098 103 T CB 0.313 69.299 68.868 0.196 0.000 0.954 103 T HN 0.872 nan 8.240 nan 0.000 0.469 104 G N 0.891 109.726 108.800 0.059 0.000 2.740 104 G HA2 0.571 4.531 3.960 -0.000 0.000 0.296 104 G HA3 0.571 4.531 3.960 -0.000 0.000 0.296 104 G C -1.218 173.479 174.900 -0.338 0.000 1.439 104 G CA -0.395 44.684 45.100 -0.035 0.000 1.066 104 G HN 0.144 nan 8.290 nan 0.000 0.527 105 V N 1.118 120.803 119.914 -0.381 0.000 3.109 105 V HA 0.780 4.900 4.120 -0.000 0.000 0.317 105 V C -0.199 175.489 176.094 -0.676 0.000 1.074 105 V CA -0.743 61.268 62.300 -0.482 0.000 1.033 105 V CB 1.977 33.689 31.823 -0.185 0.000 1.111 105 V HN 0.709 nan 8.190 nan 0.000 0.458 106 E N 1.071 120.821 120.200 -0.750 0.000 2.499 106 E HA 0.235 4.585 4.350 -0.000 0.000 0.327 106 E C -1.929 174.321 176.600 -0.583 0.000 0.929 106 E CA -0.180 55.782 56.400 -0.731 0.000 0.788 106 E CB 1.911 31.245 29.700 -0.609 0.000 1.452 106 E HN 0.376 nan 8.360 nan 0.000 0.387 107 V N 2.967 122.598 119.914 -0.470 0.000 2.304 107 V HA 0.385 4.505 4.120 -0.000 0.000 0.262 107 V C 0.930 176.860 176.094 -0.273 0.000 1.061 107 V CA -0.294 61.811 62.300 -0.325 0.000 0.872 107 V CB 1.062 32.781 31.823 -0.173 0.000 1.077 107 V HN 0.585 nan 8.190 nan 0.000 0.480 108 G N 5.895 114.542 108.800 -0.255 0.000 2.396 108 G HA2 0.293 4.253 3.960 -0.000 0.000 0.292 108 G HA3 0.293 4.253 3.960 -0.000 0.000 0.292 108 G C 0.146 174.923 174.900 -0.204 0.000 1.106 108 G CA -0.515 44.469 45.100 -0.193 0.000 1.055 108 G HN 0.509 nan 8.290 nan 0.000 0.424 109 R N 2.152 122.525 120.500 -0.212 0.000 2.312 109 R HA 0.492 4.832 4.340 -0.000 0.000 0.311 109 R C 0.578 176.797 176.300 -0.136 0.000 1.004 109 R CA -0.385 55.541 56.100 -0.290 0.000 0.902 109 R CB 1.789 31.884 30.300 -0.341 0.000 1.073 109 R HN 0.519 nan 8.270 nan 0.000 0.457 110 G N 0.866 109.609 108.800 -0.095 0.000 2.795 110 G HA2 0.430 4.390 3.960 -0.000 0.000 0.267 110 G HA3 0.430 4.390 3.960 -0.000 0.000 0.267 110 G C -0.913 173.982 174.900 -0.009 0.000 1.362 110 G CA -0.285 44.797 45.100 -0.029 0.000 1.048 110 G HN 0.424 nan 8.290 nan 0.000 0.547 111 Q N -1.402 118.408 119.800 0.017 0.000 3.117 111 Q HA -0.121 4.219 4.340 -0.000 0.000 0.025 111 Q C -2.595 173.422 176.000 0.028 0.000 1.677 111 Q CA 0.173 55.997 55.803 0.036 0.000 0.231 111 Q CB -1.615 27.163 28.738 0.067 0.000 1.698 111 Q HN 0.675 nan 8.270 nan 0.000 0.319 112 P HA 0.308 nan 4.420 nan 0.000 0.274 112 P C -0.308 177.008 177.300 0.027 0.000 1.237 112 P CA -0.559 62.555 63.100 0.023 0.000 0.793 112 P CB 0.560 32.271 31.700 0.018 0.000 0.977 113 L N 1.213 122.450 121.223 0.023 0.000 2.397 113 L HA 0.595 4.935 4.340 -0.000 0.000 0.271 113 L C 1.166 178.046 176.870 0.017 0.000 1.148 113 L CA 1.231 56.087 54.840 0.027 0.000 0.825 113 L CB 0.295 42.368 42.059 0.024 0.000 1.117 113 L HN 0.816 nan 8.230 nan 0.000 0.456 114 G N 1.392 110.199 108.800 0.012 0.000 2.506 114 G HA2 0.602 4.562 3.960 -0.000 0.000 0.292 114 G HA3 0.602 4.562 3.960 -0.000 0.000 0.292 114 G C -1.813 173.078 174.900 -0.015 0.000 1.425 114 G CA 0.001 45.095 45.100 -0.009 0.000 0.788 114 G HN 0.731 nan 8.290 nan 0.000 0.490 115 V N -2.100 117.795 119.914 -0.031 0.000 3.007 115 V HA 1.014 5.134 4.120 -0.000 0.000 0.311 115 V C 0.594 176.654 176.094 -0.057 0.000 1.120 115 V CA 0.027 62.315 62.300 -0.021 0.000 0.980 115 V CB 1.378 33.204 31.823 0.004 0.000 1.033 115 V HN 1.717 nan 8.190 nan 0.000 0.429 116 G N 0.843 109.612 108.800 -0.053 0.000 2.531 116 G HA2 0.778 4.738 3.960 -0.000 0.000 0.281 116 G HA3 0.778 4.738 3.960 -0.000 0.000 0.281 116 G C -0.867 173.996 174.900 -0.062 0.000 1.382 116 G CA -0.533 44.523 45.100 -0.072 0.000 1.045 116 G HN 1.396 nan 8.290 nan 0.000 0.533 117 I N -0.656 119.881 120.570 -0.054 0.000 2.731 117 I HA 0.360 4.530 4.170 -0.000 0.000 0.286 117 I C -1.180 174.902 176.117 -0.058 0.000 1.421 117 I CA -0.470 60.780 61.300 -0.084 0.000 1.071 117 I CB 1.659 39.638 38.000 -0.035 0.000 1.375 117 I HN 0.471 nan 8.210 nan 0.000 0.425 118 S N 5.069 120.600 115.700 -0.282 0.000 2.500 118 S HA 0.959 5.429 4.470 -0.000 0.000 0.301 118 S C -0.168 174.246 174.600 -0.311 0.000 1.092 118 S CA -0.598 57.375 58.200 -0.379 0.000 1.030 118 S CB 1.903 64.688 63.200 -0.692 0.000 1.031 118 S HN 0.903 nan 8.310 nan 0.000 0.483 119 G N 0.651 109.244 108.800 -0.344 0.000 2.766 119 G HA2 0.646 4.606 3.960 -0.000 0.000 0.288 119 G HA3 0.646 4.606 3.960 -0.000 0.000 0.288 119 G C -1.977 172.836 174.900 -0.145 0.000 1.408 119 G CA -0.497 44.493 45.100 -0.182 0.000 0.852 119 G HN 0.676 nan 8.290 nan 0.000 0.487 120 H N -0.063 118.915 119.070 -0.155 0.000 2.966 120 H HA 0.362 4.918 4.556 -0.000 0.000 0.347 120 H C -2.236 173.045 175.328 -0.079 0.000 1.048 120 H CA -1.347 54.625 56.048 -0.126 0.000 1.295 120 H CB 3.042 32.724 29.762 -0.132 0.000 1.744 120 H HN 0.125 nan 8.280 nan 0.000 0.513 121 P HA -0.030 nan 4.420 nan 0.000 0.218 121 P C 0.303 177.698 177.300 0.159 0.000 1.148 121 P CA 1.146 64.273 63.100 0.046 0.000 0.822 121 P CB 0.376 32.054 31.700 -0.037 0.000 0.784 122 L N -1.610 119.876 121.223 0.440 0.000 2.960 122 L HA 0.258 4.598 4.340 -0.000 0.000 0.274 122 L C -0.163 176.679 176.870 -0.046 0.000 1.327 122 L CA -0.862 54.094 54.840 0.194 0.000 0.860 122 L CB 0.363 42.523 42.059 0.168 0.000 1.239 122 L HN -0.098 nan 8.230 nan 0.000 0.551 123 L N 1.374 122.540 121.223 -0.096 0.000 2.525 123 L HA 0.020 4.359 4.340 -0.000 0.000 0.278 123 L C 0.725 177.452 176.870 -0.239 0.000 1.218 123 L CA 0.540 55.187 54.840 -0.321 0.000 0.878 123 L CB 0.332 42.297 42.059 -0.157 0.000 1.127 123 L HN 0.317 nan 8.230 nan 0.000 0.492 124 N N 4.765 123.289 118.700 -0.293 0.000 2.448 124 N HA 0.155 4.895 4.740 -0.000 0.000 0.250 124 N C -1.120 174.292 175.510 -0.162 0.000 1.136 124 N CA -0.090 52.836 53.050 -0.206 0.000 0.953 124 N CB 0.087 38.439 38.487 -0.225 0.000 1.251 124 N HN 0.458 nan 8.380 nan 0.000 0.502 125 K N 5.070 125.423 120.400 -0.080 0.000 2.579 125 K HA 0.127 4.447 4.320 -0.000 0.000 0.250 125 K C -0.207 176.412 176.600 0.032 0.000 0.952 125 K CA -0.613 55.674 56.287 0.000 0.000 0.857 125 K CB 1.126 33.502 32.500 -0.206 0.000 1.123 125 K HN 0.362 nan 8.250 nan 0.000 0.433 126 L N 3.558 124.847 121.223 0.110 0.000 1.982 126 L HA 0.074 4.414 4.340 -0.000 0.000 0.206 126 L C -0.324 176.613 176.870 0.112 0.000 1.078 126 L CA 2.129 57.022 54.840 0.088 0.000 0.749 126 L CB -0.311 41.806 42.059 0.097 0.000 0.894 126 L HN 0.897 nan 8.230 nan 0.000 0.436 127 D N -2.497 118.015 120.400 0.187 0.000 2.599 127 D HA 0.246 4.886 4.640 -0.000 0.000 0.252 127 D C -1.538 174.967 176.300 0.341 0.000 1.232 127 D CA -0.584 53.545 54.000 0.216 0.000 0.819 127 D CB 0.315 41.206 40.800 0.151 0.000 1.401 127 D HN 0.053 nan 8.370 nan 0.000 0.429 128 D N -0.424 120.166 120.400 0.316 0.000 2.374 128 D HA 0.240 4.880 4.640 -0.000 0.000 0.240 128 D C 0.718 177.076 176.300 0.098 0.000 1.229 128 D CA -0.298 53.851 54.000 0.248 0.000 0.895 128 D CB 0.683 41.588 40.800 0.176 0.000 1.046 128 D HN 0.389 nan 8.370 nan 0.000 0.498 129 T N 0.256 114.858 114.554 0.080 0.000 3.219 129 T HA -0.001 4.349 4.350 -0.000 0.000 0.249 129 T C 1.313 175.987 174.700 -0.044 0.000 1.099 129 T CA -0.063 62.077 62.100 0.066 0.000 0.988 129 T CB 0.017 68.983 68.868 0.163 0.000 0.999 129 T HN 0.553 nan 8.240 nan 0.000 0.550 130 E N 1.928 122.063 120.200 -0.109 0.000 2.107 130 E HA -0.094 4.256 4.350 -0.000 0.000 0.191 130 E C 0.868 177.410 176.600 -0.096 0.000 0.982 130 E CA 0.721 57.033 56.400 -0.146 0.000 0.809 130 E CB 0.163 29.728 29.700 -0.224 0.000 0.756 130 E HN 0.436 nan 8.360 nan 0.000 0.459 131 N N 0.095 118.757 118.700 -0.064 0.000 2.635 131 N HA 0.033 4.773 4.740 -0.000 0.000 0.252 131 N C -1.715 173.791 175.510 -0.006 0.000 1.589 131 N CA -0.048 52.979 53.050 -0.038 0.000 0.828 131 N CB 0.635 39.091 38.487 -0.051 0.000 1.403 131 N HN 0.022 nan 8.380 nan 0.000 0.518 132 S N 0.014 115.724 115.700 0.017 0.000 2.550 132 S HA 0.047 4.517 4.470 -0.000 0.000 0.285 132 S C 1.361 175.985 174.600 0.041 0.000 1.326 132 S CA 0.277 58.505 58.200 0.046 0.000 1.037 132 S CB 0.348 63.593 63.200 0.075 0.000 0.838 132 S HN 0.538 nan 8.310 nan 0.000 0.519 133 N N 2.443 121.170 118.700 0.046 0.000 2.083 133 N HA 0.024 4.764 4.740 -0.000 0.000 0.190 133 N C 0.497 176.036 175.510 0.048 0.000 1.047 133 N CA 0.603 53.676 53.050 0.039 0.000 0.845 133 N CB 0.005 38.513 38.487 0.035 0.000 1.025 133 N HN 0.433 nan 8.380 nan 0.000 0.428 134 K N -0.602 119.835 120.400 0.062 0.000 1.829 134 K HA 0.207 4.527 4.320 -0.000 0.000 0.259 134 K C -1.508 175.179 176.600 0.146 0.000 0.791 134 K CA -0.561 55.779 56.287 0.088 0.000 0.608 134 K CB -0.019 32.519 32.500 0.063 0.000 2.080 134 K HN -0.009 nan 8.250 nan 0.000 0.695 135 Y N 1.983 122.297 120.300 0.022 0.000 2.594 135 Y HA 0.368 4.918 4.550 -0.000 0.000 0.338 135 Y C -0.970 174.942 175.900 0.020 0.000 1.019 135 Y CA -0.817 57.296 58.100 0.022 0.000 1.306 135 Y CB 0.500 38.971 38.460 0.019 0.000 1.094 135 Y HN 0.148 nan 8.280 nan 0.000 0.534 136 V N 5.020 124.631 119.914 -0.506 0.000 2.775 136 V HA 0.422 4.542 4.120 -0.000 0.000 0.299 136 V C 1.275 176.891 176.094 -0.796 0.000 1.062 136 V CA 0.184 62.197 62.300 -0.478 0.000 1.063 136 V CB 0.863 32.565 31.823 -0.202 0.000 0.994 136 V HN 0.928 nan 8.190 nan 0.000 0.483 137 G N 2.480 110.971 108.800 -0.514 0.000 2.712 137 G HA2 0.044 4.003 3.960 -0.000 0.000 0.258 137 G HA3 0.044 4.003 3.960 -0.000 0.000 0.258 137 G C 0.004 174.789 174.900 -0.192 0.000 1.241 137 G CA -0.635 44.250 45.100 -0.358 0.000 0.923 137 G HN 0.836 nan 8.290 nan 0.000 0.548 138 N N 0.282 118.952 118.700 -0.050 0.000 2.301 138 N HA 0.141 4.881 4.740 -0.000 0.000 0.267 138 N C 1.036 176.534 175.510 -0.020 0.000 1.304 138 N CA 0.588 53.636 53.050 -0.002 0.000 0.851 138 N CB 0.604 39.106 38.487 0.025 0.000 1.070 138 N HN 0.643 nan 8.380 nan 0.000 0.483 139 S N 1.144 116.836 115.700 -0.012 0.000 2.587 139 S HA 0.411 4.881 4.470 -0.000 0.000 0.252 139 S C 1.043 175.639 174.600 -0.007 0.000 1.282 139 S CA -0.254 57.938 58.200 -0.013 0.000 0.977 139 S CB 0.027 63.225 63.200 -0.003 0.000 1.015 139 S HN 0.532 nan 8.310 nan 0.000 0.557 140 G N -0.775 108.021 108.800 -0.006 0.000 2.882 140 G HA2 0.539 4.499 3.960 -0.000 0.000 0.164 140 G HA3 0.539 4.499 3.960 -0.000 0.000 0.164 140 G C -0.657 174.241 174.900 -0.003 0.000 1.429 140 G CA -0.518 44.579 45.100 -0.005 0.000 1.059 140 G HN 0.752 nan 8.290 nan 0.000 0.581 141 T N 0.504 115.056 114.554 -0.004 0.000 2.925 141 T HA 0.446 4.796 4.350 -0.000 0.000 0.285 141 T C -0.773 173.923 174.700 -0.006 0.000 1.021 141 T CA 0.109 62.206 62.100 -0.005 0.000 1.042 141 T CB 1.286 70.152 68.868 -0.004 0.000 1.037 141 T HN 0.525 nan 8.240 nan 0.000 0.481 142 D N 1.728 122.122 120.400 -0.009 0.000 3.617 142 D HA -0.143 4.497 4.640 -0.000 0.000 0.226 142 D C -0.198 176.097 176.300 -0.008 0.000 1.125 142 D CA 0.444 54.438 54.000 -0.010 0.000 1.083 142 D CB -0.732 40.065 40.800 -0.006 0.000 0.833 142 D HN 0.599 nan 8.370 nan 0.000 0.399 143 N N 1.274 119.968 118.700 -0.010 0.000 2.234 143 N HA 0.101 4.841 4.740 -0.000 0.000 0.227 143 N C 0.194 175.696 175.510 -0.013 0.000 1.151 143 N CA -0.452 52.595 53.050 -0.006 0.000 0.865 143 N CB 0.522 39.010 38.487 0.002 0.000 1.066 143 N HN 0.258 nan 8.380 nan 0.000 0.515 144 R N 1.482 121.967 120.500 -0.024 0.000 2.861 144 R HA 0.171 4.511 4.340 -0.000 0.000 0.268 144 R C 0.131 176.419 176.300 -0.020 0.000 1.027 144 R CA 0.329 56.407 56.100 -0.037 0.000 1.163 144 R CB 0.151 30.426 30.300 -0.042 0.000 1.060 144 R HN 0.401 nan 8.270 nan 0.000 0.483 145 E N -0.582 119.602 120.200 -0.026 0.000 2.409 145 E HA 0.150 4.500 4.350 -0.000 0.000 0.280 145 E C -1.566 175.030 176.600 -0.006 0.000 1.079 145 E CA -1.021 55.374 56.400 -0.009 0.000 0.840 145 E CB 0.778 30.472 29.700 -0.011 0.000 1.309 145 E HN 0.508 nan 8.360 nan 0.000 0.447 146 C N 2.151 121.456 119.300 0.009 0.000 2.576 146 C HA 0.646 5.106 4.460 -0.000 0.000 0.401 146 C C -0.244 174.745 174.990 -0.001 0.000 1.314 146 C CA 0.040 59.069 59.018 0.019 0.000 1.855 146 C CB -1.485 26.267 27.740 0.020 0.000 2.537 146 C HN 0.560 nan 8.230 nan 0.000 0.578 147 I N 6.210 126.776 120.570 -0.006 0.000 2.586 147 I HA 0.274 4.444 4.170 -0.000 0.000 0.288 147 I C 0.135 176.238 176.117 -0.025 0.000 1.147 147 I CA 0.135 61.419 61.300 -0.026 0.000 1.047 147 I CB 2.225 40.180 38.000 -0.075 0.000 1.244 147 I HN 0.770 nan 8.210 nan 0.000 0.429 148 S N 6.965 122.648 115.700 -0.030 0.000 2.738 148 S HA 0.935 5.405 4.470 -0.000 0.000 0.284 148 S C -0.359 174.211 174.600 -0.051 0.000 1.146 148 S CA -0.727 57.440 58.200 -0.054 0.000 0.997 148 S CB 2.096 65.269 63.200 -0.044 0.000 1.081 148 S HN 0.712 nan 8.310 nan 0.000 0.553 149 M N -0.447 119.096 119.600 -0.095 0.000 3.015 149 M HA 0.394 4.874 4.480 -0.000 0.000 0.272 149 M C -2.743 173.462 176.300 -0.158 0.000 1.085 149 M CA -0.788 54.468 55.300 -0.074 0.000 0.795 149 M CB 1.756 34.374 32.600 0.030 0.000 1.632 149 M HN 0.764 nan 8.290 nan 0.000 0.535 150 D N 1.370 121.713 120.400 -0.095 0.000 2.391 150 D HA 0.424 5.063 4.640 -0.000 0.000 0.245 150 D C -1.261 175.056 176.300 0.028 0.000 1.069 150 D CA -0.281 53.657 54.000 -0.104 0.000 0.831 150 D CB 1.477 42.250 40.800 -0.045 0.000 1.204 150 D HN 0.695 nan 8.370 nan 0.000 0.503 151 Y N 0.832 121.167 120.300 0.058 0.000 2.330 151 Y HA 0.008 4.558 4.550 -0.000 0.000 0.341 151 Y C 1.655 177.579 175.900 0.040 0.000 1.278 151 Y CA -0.824 57.321 58.100 0.076 0.000 1.453 151 Y CB 0.968 39.493 38.460 0.109 0.000 1.342 151 Y HN 0.314 nan 8.280 nan 0.000 0.590 152 K N 2.068 122.599 120.400 0.219 0.000 2.591 152 K HA -0.183 4.137 4.320 -0.000 0.000 0.280 152 K C -0.467 176.214 176.600 0.134 0.000 0.964 152 K CA 0.095 56.456 56.287 0.124 0.000 1.014 152 K CB 0.313 32.879 32.500 0.110 0.000 0.877 152 K HN 0.701 nan 8.250 nan 0.000 0.502 153 Q N 2.990 122.856 119.800 0.109 0.000 2.325 153 Q HA 0.246 4.586 4.340 -0.000 0.000 0.262 153 Q C -1.403 174.654 176.000 0.095 0.000 0.968 153 Q CA -0.615 55.249 55.803 0.103 0.000 0.877 153 Q CB 1.591 30.382 28.738 0.088 0.000 1.253 153 Q HN 0.644 nan 8.270 nan 0.000 0.448 154 T N 3.364 117.975 114.554 0.095 0.000 2.924 154 T HA 0.536 4.886 4.350 -0.000 0.000 0.291 154 T C -0.960 173.790 174.700 0.083 0.000 1.045 154 T CA -0.772 61.380 62.100 0.085 0.000 1.015 154 T CB 1.677 70.593 68.868 0.079 0.000 1.103 154 T HN 0.643 nan 8.240 nan 0.000 0.496 155 Q N 1.436 121.280 119.800 0.073 0.000 2.536 155 Q HA 0.444 4.784 4.340 -0.000 0.000 0.231 155 Q C -1.607 174.442 176.000 0.083 0.000 0.811 155 Q CA -0.554 55.294 55.803 0.074 0.000 0.966 155 Q CB 1.333 30.011 28.738 -0.100 0.000 1.512 155 Q HN 0.635 nan 8.270 nan 0.000 0.456 156 L N -1.277 120.094 121.223 0.247 0.000 2.322 156 L HA 1.052 5.392 4.340 -0.000 0.000 0.252 156 L C -1.099 176.029 176.870 0.431 0.000 1.055 156 L CA -0.982 54.010 54.840 0.252 0.000 0.849 156 L CB 2.345 44.527 42.059 0.204 0.000 1.446 156 L HN 0.590 nan 8.230 nan 0.000 0.416 157 C N 1.464 120.972 119.300 0.347 0.000 3.122 157 C HA 0.584 5.044 4.460 -0.000 0.000 0.415 157 C C -1.619 173.559 174.990 0.315 0.000 1.033 157 C CA -0.578 58.674 59.018 0.391 0.000 1.262 157 C CB -0.184 27.911 27.740 0.591 0.000 1.641 157 C HN 0.875 nan 8.230 nan 0.000 0.540 158 L N 6.622 128.019 121.223 0.290 0.000 2.313 158 L HA 0.722 5.062 4.340 -0.000 0.000 0.283 158 L C -0.506 176.538 176.870 0.289 0.000 1.013 158 L CA -0.694 54.294 54.840 0.248 0.000 0.816 158 L CB 1.411 43.530 42.059 0.101 0.000 1.236 158 L HN 0.422 nan 8.230 nan 0.000 0.419 159 I N 2.599 123.386 120.570 0.361 0.000 2.382 159 I HA 0.661 4.831 4.170 -0.000 0.000 0.286 159 I C 0.466 176.599 176.117 0.026 0.000 1.002 159 I CA -0.338 61.182 61.300 0.366 0.000 1.135 159 I CB 1.270 39.615 38.000 0.575 0.000 1.288 159 I HN 0.681 nan 8.210 nan 0.000 0.448 160 G N 3.408 112.098 108.800 -0.183 0.000 2.642 160 G HA2 0.451 4.411 3.960 -0.000 0.000 0.293 160 G HA3 0.451 4.411 3.960 -0.000 0.000 0.293 160 G C 0.210 174.945 174.900 -0.274 0.000 1.341 160 G CA -0.544 44.103 45.100 -0.755 0.000 0.916 160 G HN 0.721 nan 8.290 nan 0.000 0.474 161 C N -0.415 118.756 119.300 -0.215 0.000 2.524 161 C HA 0.602 5.061 4.460 -0.000 0.000 0.301 161 C C 0.576 175.633 174.990 0.112 0.000 1.296 161 C CA -0.986 58.179 59.018 0.245 0.000 1.683 161 C CB -1.939 26.030 27.740 0.382 0.000 1.764 161 C HN 0.465 nan 8.230 nan 0.000 0.597 162 R N 1.015 121.388 120.500 -0.212 0.000 2.668 162 R HA 0.465 4.804 4.340 -0.000 0.000 0.272 162 R C -3.022 172.704 176.300 -0.957 0.000 1.019 162 R CA -1.465 54.322 56.100 -0.523 0.000 0.894 162 R CB 1.425 31.574 30.300 -0.252 0.000 1.228 162 R HN 0.042 nan 8.270 nan 0.000 0.460 163 P HA 0.011 nan 4.420 nan 0.000 0.265 163 P C -2.379 174.608 177.300 -0.521 0.000 1.187 163 P CA -0.724 61.744 63.100 -1.054 0.000 0.766 163 P CB 0.017 31.286 31.700 -0.718 0.000 0.820 164 P HA 0.184 nan 4.420 nan 0.000 0.274 164 P C 0.174 177.312 177.300 -0.270 0.000 1.231 164 P CA -0.147 62.782 63.100 -0.286 0.000 0.790 164 P CB 0.790 32.350 31.700 -0.233 0.000 0.951 165 I N -1.219 119.205 120.570 -0.243 0.000 3.062 165 I HA 0.870 5.040 4.170 -0.000 0.000 0.318 165 I C -0.036 175.945 176.117 -0.226 0.000 1.026 165 I CA -0.947 60.223 61.300 -0.218 0.000 1.096 165 I CB 1.602 39.501 38.000 -0.168 0.000 1.348 165 I HN 0.381 nan 8.210 nan 0.000 0.543 166 G N 1.685 110.378 108.800 -0.177 0.000 2.659 166 G HA2 0.607 4.567 3.960 -0.000 0.000 0.296 166 G HA3 0.607 4.567 3.960 -0.000 0.000 0.296 166 G C -1.851 173.014 174.900 -0.058 0.000 1.369 166 G CA -0.737 44.274 45.100 -0.148 0.000 0.937 166 G HN 0.854 nan 8.290 nan 0.000 0.485 167 E N 0.436 120.628 120.200 -0.012 0.000 2.222 167 E HA 0.678 5.028 4.350 -0.000 0.000 0.267 167 E C -0.953 175.633 176.600 -0.023 0.000 0.884 167 E CA -1.043 55.307 56.400 -0.084 0.000 0.764 167 E CB 2.203 31.802 29.700 -0.168 0.000 1.169 167 E HN 0.726 nan 8.360 nan 0.000 0.413 168 H N 0.702 119.650 119.070 -0.203 0.000 3.017 168 H HA 0.323 4.879 4.556 -0.000 0.000 0.346 168 H C -1.683 173.541 175.328 -0.174 0.000 1.286 168 H CA -1.335 54.619 56.048 -0.156 0.000 1.120 168 H CB 0.446 30.192 29.762 -0.026 0.000 1.860 168 H HN 0.648 nan 8.280 nan 0.000 0.542 169 W N 0.786 122.033 121.300 -0.088 0.000 2.365 169 W HA 0.573 5.233 4.660 -0.000 0.000 0.316 169 W C 0.549 176.971 176.519 -0.162 0.000 1.164 169 W CA -0.041 57.203 57.345 -0.169 0.000 1.204 169 W CB 1.867 31.274 29.460 -0.089 0.000 1.213 169 W HN 0.884 nan 8.180 nan 0.000 0.539 170 G N 1.602 110.445 108.800 0.072 0.000 3.211 170 G HA2 0.486 4.446 3.960 -0.000 0.000 0.262 170 G HA3 0.486 4.446 3.960 -0.000 0.000 0.262 170 G C -1.705 173.237 174.900 0.071 0.000 1.352 170 G CA -1.043 44.092 45.100 0.058 0.000 1.004 170 G HN 0.285 nan 8.290 nan 0.000 0.559 171 K N -0.276 120.157 120.400 0.055 0.000 2.183 171 K HA 0.572 4.892 4.320 -0.000 0.000 0.274 171 K C 0.105 176.725 176.600 0.033 0.000 1.009 171 K CA -0.410 55.899 56.287 0.037 0.000 0.888 171 K CB 1.074 33.592 32.500 0.030 0.000 1.078 171 K HN 0.572 nan 8.250 nan 0.000 0.459 172 G N 1.417 110.234 108.800 0.028 0.000 2.441 172 G HA2 0.256 4.216 3.960 -0.000 0.000 0.334 172 G HA3 0.256 4.216 3.960 -0.000 0.000 0.334 172 G C -0.869 174.041 174.900 0.016 0.000 1.161 172 G CA -0.522 44.594 45.100 0.026 0.000 0.935 172 G HN 0.538 nan 8.290 nan 0.000 0.488 173 T N 3.392 117.955 114.554 0.014 0.000 2.737 173 T HA 0.381 4.731 4.350 -0.000 0.000 0.296 173 T C -1.386 173.318 174.700 0.008 0.000 0.922 173 T CA -0.516 61.590 62.100 0.010 0.000 1.079 173 T CB 1.048 69.921 68.868 0.009 0.000 0.892 173 T HN 0.449 nan 8.240 nan 0.000 0.514 174 P HA 0.170 nan 4.420 nan 0.000 0.272 174 P C 0.090 177.392 177.300 0.003 0.000 1.248 174 P CA -0.486 62.616 63.100 0.003 0.000 0.799 174 P CB 0.411 32.111 31.700 0.000 0.000 0.997 175 S N -0.544 115.158 115.700 0.003 0.000 2.666 175 S HA 0.154 4.624 4.470 -0.000 0.000 0.279 175 S C 0.486 175.087 174.600 0.002 0.000 1.149 175 S CA -0.851 57.350 58.200 0.003 0.000 1.020 175 S CB -0.051 63.151 63.200 0.003 0.000 1.127 175 S HN 0.561 nan 8.310 nan 0.000 0.537 176 N N 1.365 120.066 118.700 0.002 0.000 2.498 176 N HA 0.371 5.111 4.740 -0.000 0.000 0.277 176 N C -0.175 175.335 175.510 0.001 0.000 1.208 176 N CA 0.287 53.338 53.050 0.001 0.000 1.029 176 N CB -0.410 38.077 38.487 0.001 0.000 1.403 176 N HN 0.713 nan 8.380 nan 0.000 0.500 177 A N 3.469 126.289 122.820 0.000 0.000 3.865 177 A HA 0.327 4.647 4.320 -0.000 0.000 0.150 177 A C -0.663 176.921 177.584 -0.000 0.000 0.996 177 A CA -0.462 51.575 52.037 -0.000 0.000 1.746 177 A CB 0.229 19.229 19.000 -0.000 0.000 2.443 177 A HN 0.510 nan 8.150 nan 0.000 1.021 178 N N 1.146 119.846 118.700 -0.001 0.000 2.483 178 N HA 0.411 5.151 4.740 -0.000 0.000 0.269 178 N C -0.273 175.236 175.510 -0.001 0.000 1.209 178 N CA -0.246 52.803 53.050 -0.001 0.000 0.969 178 N CB 0.538 39.025 38.487 -0.001 0.000 1.173 178 N HN 0.573 nan 8.380 nan 0.000 0.475 179 Q N 1.358 121.158 119.800 -0.001 0.000 2.307 179 Q HA 0.153 4.493 4.340 -0.000 0.000 0.259 179 Q C -0.931 175.068 176.000 -0.002 0.000 0.998 179 Q CA -0.539 55.264 55.803 -0.001 0.000 0.923 179 Q CB 0.488 29.226 28.738 -0.001 0.000 1.196 179 Q HN 0.444 nan 8.270 nan 0.000 0.416 180 V N 6.661 126.574 119.914 -0.002 0.000 2.220 180 V HA -0.066 4.054 4.120 -0.000 0.000 0.236 180 V C 0.838 176.930 176.094 -0.003 0.000 1.314 180 V CA -0.058 62.240 62.300 -0.003 0.000 1.349 180 V CB -1.551 30.270 31.823 -0.003 0.000 1.428 180 V HN 0.652 nan 8.190 nan 0.000 0.495 181 K N 2.690 123.089 120.400 -0.003 0.000 2.229 181 K HA 0.330 4.650 4.320 -0.000 0.000 0.250 181 K C 0.369 176.967 176.600 -0.003 0.000 1.016 181 K CA 0.224 56.509 56.287 -0.003 0.000 0.866 181 K CB 0.340 32.839 32.500 -0.002 0.000 1.028 181 K HN 0.437 nan 8.250 nan 0.000 0.514 182 A N -0.320 122.498 122.820 -0.003 0.000 2.511 182 A HA 0.418 4.738 4.320 -0.000 0.000 0.242 182 A C 1.286 178.867 177.584 -0.005 0.000 1.069 182 A CA 0.773 52.808 52.037 -0.003 0.000 0.763 182 A CB -0.888 18.110 19.000 -0.003 0.000 1.001 182 A HN 1.228 nan 8.150 nan 0.000 0.498 183 G N 0.995 109.791 108.800 -0.006 0.000 2.339 183 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.209 183 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.209 183 G C 0.321 175.215 174.900 -0.009 0.000 1.015 183 G CA 0.213 45.309 45.100 -0.007 0.000 0.635 183 G HN 0.759 nan 8.290 nan 0.000 0.499 184 E N 0.149 120.344 120.200 -0.008 0.000 2.451 184 E HA 0.340 4.689 4.350 -0.000 0.000 0.256 184 E C 0.582 177.174 176.600 -0.014 0.000 1.294 184 E CA 0.215 56.609 56.400 -0.010 0.000 1.005 184 E CB 0.746 30.441 29.700 -0.009 0.000 0.990 184 E HN 0.666 nan 8.360 nan 0.000 0.505 185 C N 3.362 122.651 119.300 -0.018 0.000 2.255 185 C HA 0.462 4.922 4.460 -0.000 0.000 0.326 185 C C -2.031 172.944 174.990 -0.024 0.000 1.258 185 C CA -1.738 57.265 59.018 -0.024 0.000 1.676 185 C CB -0.375 27.346 27.740 -0.031 0.000 2.314 185 C HN 0.396 nan 8.230 nan 0.000 0.509 186 P HA 0.337 nan 4.420 nan 0.000 0.272 186 P C -2.783 174.501 177.300 -0.026 0.000 1.230 186 P CA -0.969 62.121 63.100 -0.017 0.000 0.788 186 P CB 0.191 31.884 31.700 -0.011 0.000 0.949 187 P HA 0.195 nan 4.420 nan 0.000 0.286 187 P C -0.536 176.756 177.300 -0.014 0.000 1.269 187 P CA -0.276 62.810 63.100 -0.023 0.000 0.787 187 P CB 0.743 32.436 31.700 -0.011 0.000 0.920 188 L N 2.158 123.358 121.223 -0.038 0.000 2.439 188 L HA 0.480 4.820 4.340 -0.000 0.000 0.261 188 L C 0.815 177.754 176.870 0.114 0.000 1.153 188 L CA 0.073 54.914 54.840 0.001 0.000 0.808 188 L CB -0.257 41.696 42.059 -0.177 0.000 1.126 188 L HN 0.575 nan 8.230 nan 0.000 0.460 189 E N 0.929 121.266 120.200 0.229 0.000 2.321 189 E HA 0.342 4.692 4.350 -0.000 0.000 0.278 189 E C -1.707 175.024 176.600 0.218 0.000 0.902 189 E CA -0.827 55.710 56.400 0.228 0.000 0.758 189 E CB 2.753 32.501 29.700 0.081 0.000 1.213 189 E HN 0.398 nan 8.360 nan 0.000 0.426 190 L N 5.568 126.846 121.223 0.091 0.000 2.260 190 L HA 0.406 4.746 4.340 -0.000 0.000 0.289 190 L C -1.606 175.072 176.870 -0.320 0.000 1.057 190 L CA -0.026 54.582 54.840 -0.388 0.000 0.811 190 L CB 0.371 41.926 42.059 -0.840 0.000 1.184 190 L HN 0.433 nan 8.230 nan 0.000 0.429 191 L N 5.014 125.979 121.223 -0.431 0.000 2.329 191 L HA 0.551 4.891 4.340 -0.000 0.000 0.279 191 L C 0.157 176.900 176.870 -0.212 0.000 1.014 191 L CA -0.675 53.987 54.840 -0.296 0.000 0.814 191 L CB 1.179 43.083 42.059 -0.258 0.000 1.257 191 L HN 0.536 nan 8.230 nan 0.000 0.424 192 N N 1.051 119.682 118.700 -0.114 0.000 2.483 192 N HA 0.491 5.231 4.740 -0.000 0.000 0.269 192 N C -0.275 175.229 175.510 -0.010 0.000 1.209 192 N CA 0.035 53.044 53.050 -0.068 0.000 0.969 192 N CB 1.740 40.184 38.487 -0.072 0.000 1.173 192 N HN 0.740 nan 8.380 nan 0.000 0.475 193 T N -1.760 112.778 114.554 -0.026 0.000 2.977 193 T HA 0.225 4.575 4.350 -0.000 0.000 0.345 193 T C -1.272 173.362 174.700 -0.110 0.000 1.562 193 T CA -0.723 61.363 62.100 -0.024 0.000 1.090 193 T CB 0.291 69.180 68.868 0.037 0.000 1.383 193 T HN 0.026 nan 8.240 nan 0.000 0.484 194 V N 4.664 124.484 119.914 -0.158 0.000 2.572 194 V HA 0.317 4.437 4.120 -0.000 0.000 0.291 194 V C 0.552 176.505 176.094 -0.236 0.000 1.039 194 V CA -0.292 61.841 62.300 -0.280 0.000 1.055 194 V CB 0.656 32.119 31.823 -0.599 0.000 0.969 194 V HN 0.756 nan 8.190 nan 0.000 0.482 195 L N 6.378 127.451 121.223 -0.249 0.000 2.313 195 L HA 0.330 4.670 4.340 -0.000 0.000 0.282 195 L C 0.320 177.146 176.870 -0.073 0.000 1.092 195 L CA 0.358 55.019 54.840 -0.299 0.000 0.831 195 L CB 0.373 42.145 42.059 -0.479 0.000 1.159 195 L HN 0.677 nan 8.230 nan 0.000 0.442 196 Q N 1.871 121.661 119.800 -0.017 0.000 2.297 196 Q HA 0.235 4.575 4.340 -0.000 0.000 0.268 196 Q C -0.726 175.380 176.000 0.178 0.000 1.045 196 Q CA -0.946 54.982 55.803 0.208 0.000 0.861 196 Q CB 2.239 31.045 28.738 0.113 0.000 1.344 196 Q HN 0.468 nan 8.270 nan 0.000 0.452 197 D N 0.139 120.706 120.400 0.277 0.000 2.434 197 D HA 0.085 4.725 4.640 -0.000 0.000 0.252 197 D C 0.418 176.797 176.300 0.132 0.000 1.185 197 D CA 1.482 55.587 54.000 0.176 0.000 0.886 197 D CB 0.490 41.397 40.800 0.178 0.000 1.148 197 D HN 0.786 nan 8.370 nan 0.000 0.483 198 G N 3.671 112.561 108.800 0.151 0.000 2.192 198 G HA2 -0.189 3.770 3.960 -0.000 0.000 0.193 198 G HA3 -0.189 3.770 3.960 -0.000 0.000 0.193 198 G C 0.142 175.138 174.900 0.160 0.000 0.999 198 G CA -0.165 45.017 45.100 0.136 0.000 0.659 198 G HN 0.589 nan 8.290 nan 0.000 0.503 199 D N 0.797 121.314 120.400 0.195 0.000 2.357 199 D HA 0.517 5.157 4.640 -0.000 0.000 0.242 199 D C 0.989 177.517 176.300 0.381 0.000 1.153 199 D CA 0.145 54.266 54.000 0.202 0.000 0.918 199 D CB 0.516 41.330 40.800 0.024 0.000 1.181 199 D HN -0.004 nan 8.370 nan 0.000 0.435 200 M N 1.073 120.853 119.600 0.299 0.000 2.277 200 M HA 0.218 4.698 4.480 -0.000 0.000 0.350 200 M C -0.111 176.442 176.300 0.422 0.000 1.180 200 M CA -0.953 54.524 55.300 0.294 0.000 1.103 200 M CB 1.182 33.899 32.600 0.195 0.000 1.577 200 M HN 0.086 nan 8.290 nan 0.000 0.459 201 V N -0.021 120.023 119.914 0.217 0.000 3.036 201 V HA 0.396 4.516 4.120 -0.000 0.000 0.308 201 V C -0.089 176.119 176.094 0.190 0.000 1.070 201 V CA -1.304 61.104 62.300 0.180 0.000 1.056 201 V CB 0.546 32.337 31.823 -0.053 0.000 1.084 201 V HN 0.937 nan 8.190 nan 0.000 0.471 202 D N 0.350 120.903 120.400 0.255 0.000 2.458 202 D HA 0.108 4.748 4.640 -0.000 0.000 0.243 202 D C 1.006 177.369 176.300 0.105 0.000 1.146 202 D CA 0.465 54.608 54.000 0.238 0.000 0.877 202 D CB 1.095 42.080 40.800 0.308 0.000 1.176 202 D HN 0.896 nan 8.370 nan 0.000 0.461 203 T N -0.191 114.359 114.554 -0.006 0.000 3.086 203 T HA 0.389 4.739 4.350 -0.000 0.000 0.250 203 T C 1.476 176.195 174.700 0.032 0.000 1.074 203 T CA 0.053 62.025 62.100 -0.214 0.000 0.988 203 T CB 0.086 68.277 68.868 -1.129 0.000 0.988 203 T HN 0.999 nan 8.240 nan 0.000 0.530 204 G N 0.436 109.296 108.800 0.101 0.000 2.227 204 G HA2 -0.110 3.850 3.960 -0.000 0.000 0.168 204 G HA3 -0.110 3.850 3.960 -0.000 0.000 0.168 204 G C 0.171 175.034 174.900 -0.061 0.000 1.006 204 G CA -0.278 44.836 45.100 0.023 0.000 0.684 204 G HN 0.462 nan 8.290 nan 0.000 0.489 205 F N 1.861 121.907 119.950 0.160 0.000 2.698 205 F HA 0.509 5.036 4.527 -0.000 0.000 0.304 205 F C 1.473 177.444 175.800 0.284 0.000 1.108 205 F CA 0.643 58.793 58.000 0.250 0.000 1.263 205 F CB 1.164 40.340 39.000 0.294 0.000 1.013 205 F HN 0.739 nan 8.300 nan 0.000 0.532 206 G N 1.162 110.152 108.800 0.317 0.000 2.819 206 G HA2 0.056 4.016 3.960 -0.000 0.000 0.682 206 G HA3 0.056 4.016 3.960 -0.000 0.000 0.682 206 G C -0.354 174.743 174.900 0.329 0.000 1.481 206 G CA -0.576 44.699 45.100 0.291 0.000 0.904 206 G HN 0.666 nan 8.290 nan 0.000 0.563 207 A N 1.369 124.361 122.820 0.286 0.000 2.582 207 A HA 0.737 5.057 4.320 -0.000 0.000 0.336 207 A C 0.634 178.369 177.584 0.252 0.000 1.445 207 A CA 0.794 52.995 52.037 0.273 0.000 0.997 207 A CB -0.468 18.678 19.000 0.243 0.000 1.148 207 A HN 1.832 nan 8.150 nan 0.000 0.514 208 M N -0.171 119.501 119.600 0.120 0.000 2.828 208 M HA 0.740 5.220 4.480 -0.000 0.000 0.284 208 M C -1.368 174.878 176.300 -0.090 0.000 1.166 208 M CA -0.824 54.492 55.300 0.027 0.000 0.770 208 M CB 1.191 33.670 32.600 -0.202 0.000 1.741 208 M HN 0.200 nan 8.290 nan 0.000 0.443 209 D N -0.059 120.259 120.400 -0.138 0.000 2.469 209 D HA 0.386 5.026 4.640 -0.000 0.000 0.251 209 D C -0.436 175.751 176.300 -0.189 0.000 1.173 209 D CA -0.478 53.485 54.000 -0.061 0.000 0.882 209 D CB 0.843 41.717 40.800 0.122 0.000 1.129 209 D HN 0.577 nan 8.370 nan 0.000 0.549 210 F N 1.235 121.224 119.950 0.066 0.000 2.216 210 F HA -0.139 4.388 4.527 -0.000 0.000 0.300 210 F C 2.431 178.243 175.800 0.020 0.000 1.085 210 F CA 1.332 59.351 58.000 0.032 0.000 1.326 210 F CB -0.149 38.852 39.000 0.002 0.000 1.027 210 F HN 0.352 nan 8.300 nan 0.000 0.497 211 T N -2.162 112.492 114.554 0.166 0.000 2.809 211 T HA -0.132 4.217 4.350 -0.000 0.000 0.260 211 T C 2.115 176.855 174.700 0.066 0.000 1.039 211 T CA 1.580 63.744 62.100 0.106 0.000 1.141 211 T CB -1.012 67.909 68.868 0.088 0.000 0.869 211 T HN 0.372 nan 8.240 nan 0.000 0.437 212 T N 0.807 115.394 114.554 0.056 0.000 2.812 212 T HA 0.078 4.428 4.350 -0.000 0.000 0.264 212 T C 1.893 176.607 174.700 0.024 0.000 1.042 212 T CA 0.518 62.641 62.100 0.038 0.000 1.140 212 T CB -0.546 68.347 68.868 0.042 0.000 0.870 212 T HN 0.069 nan 8.240 nan 0.000 0.445 213 L N 0.973 122.203 121.223 0.011 0.000 2.162 213 L HA 0.304 4.644 4.340 -0.000 0.000 0.205 213 L C 1.059 177.928 176.870 -0.002 0.000 1.086 213 L CA 1.216 56.049 54.840 -0.012 0.000 0.778 213 L CB -0.505 41.519 42.059 -0.059 0.000 0.928 213 L HN 0.422 nan 8.230 nan 0.000 0.446 214 Q N -1.221 118.595 119.800 0.027 0.000 2.400 214 Q HA 0.473 4.813 4.340 -0.000 0.000 0.255 214 Q C 0.897 176.914 176.000 0.028 0.000 1.008 214 Q CA 0.147 55.970 55.803 0.033 0.000 0.841 214 Q CB 1.622 30.401 28.738 0.068 0.000 1.220 214 Q HN 0.197 nan 8.270 nan 0.000 0.474 215 A N 3.986 126.812 122.820 0.009 0.000 1.836 215 A HA -0.287 4.033 4.320 -0.000 0.000 0.215 215 A C 1.765 179.349 177.584 -0.000 0.000 1.214 215 A CA 2.043 54.084 52.037 0.005 0.000 0.636 215 A CB -0.840 18.158 19.000 -0.002 0.000 0.847 215 A HN 0.984 nan 8.150 nan 0.000 0.451 216 N N 1.519 120.210 118.700 -0.015 0.000 2.471 216 N HA -0.301 4.439 4.740 -0.000 0.000 0.198 216 N C 0.459 175.955 175.510 -0.023 0.000 1.016 216 N CA 1.800 54.834 53.050 -0.027 0.000 0.915 216 N CB -1.069 37.386 38.487 -0.055 0.000 0.948 216 N HN 0.790 nan 8.380 nan 0.000 0.453 217 K N -1.346 119.050 120.400 -0.006 0.000 3.679 217 K HA -0.196 4.124 4.320 -0.000 0.000 0.274 217 K C -0.553 176.035 176.600 -0.020 0.000 0.839 217 K CA 0.999 57.293 56.287 0.013 0.000 0.663 217 K CB -2.053 30.474 32.500 0.045 0.000 1.638 217 K HN 0.239 nan 8.250 nan 0.000 0.443 218 S N 0.232 115.833 115.700 -0.165 0.000 2.874 218 S HA 0.016 4.486 4.470 -0.000 0.000 0.257 218 S C -0.513 173.756 174.600 -0.552 0.000 0.975 218 S CA 0.073 58.016 58.200 -0.429 0.000 1.326 218 S CB 0.416 63.450 63.200 -0.278 0.000 1.215 218 S HN 0.712 nan 8.310 nan 0.000 0.679 219 D N 1.538 121.712 120.400 -0.377 0.000 2.788 219 D HA 0.367 5.007 4.640 -0.000 0.000 0.289 219 D C -0.213 175.823 176.300 -0.441 0.000 1.340 219 D CA -0.480 53.273 54.000 -0.411 0.000 0.831 219 D CB 0.193 40.766 40.800 -0.378 0.000 1.103 219 D HN 0.129 nan 8.370 nan 0.000 0.476 220 V N -3.890 115.747 119.914 -0.462 0.000 2.950 220 V HA 0.496 4.616 4.120 -0.000 0.000 0.295 220 V C -2.917 172.979 176.094 -0.330 0.000 1.297 220 V CA -2.045 59.880 62.300 -0.625 0.000 0.962 220 V CB 1.653 32.991 31.823 -0.808 0.000 1.081 220 V HN -0.220 nan 8.190 nan 0.000 0.432 221 P HA 0.096 nan 4.420 nan 0.000 0.271 221 P C 1.015 178.274 177.300 -0.068 0.000 1.228 221 P CA -0.104 62.950 63.100 -0.076 0.000 0.797 221 P CB 0.463 32.115 31.700 -0.080 0.000 0.914 222 L N 1.581 122.734 121.223 -0.117 0.000 2.042 222 L HA -0.184 4.156 4.340 -0.000 0.000 0.210 222 L C 1.693 178.564 176.870 0.000 0.000 1.076 222 L CA 2.297 57.100 54.840 -0.061 0.000 0.749 222 L CB -2.204 39.819 42.059 -0.059 0.000 0.893 222 L HN 0.476 nan 8.230 nan 0.000 0.432 223 D N 0.009 120.409 120.400 -0.000 0.000 2.389 223 D HA -0.202 4.438 4.640 -0.000 0.000 0.221 223 D C 1.521 177.853 176.300 0.053 0.000 0.974 223 D CA 1.163 55.236 54.000 0.122 0.000 0.923 223 D CB -0.379 40.565 40.800 0.238 0.000 0.892 223 D HN 0.665 nan 8.370 nan 0.000 0.518 224 I N -3.354 117.164 120.570 -0.088 0.000 4.779 224 I HA 0.205 4.375 4.170 -0.000 0.000 0.339 224 I C 1.569 177.487 176.117 -0.332 0.000 1.293 224 I CA -0.451 60.709 61.300 -0.232 0.000 1.324 224 I CB -0.041 37.637 38.000 -0.535 0.000 1.424 224 I HN 0.125 nan 8.210 nan 0.000 0.489 225 C N 1.250 120.401 119.300 -0.247 0.000 2.466 225 C HA 0.217 4.677 4.460 -0.000 0.000 0.283 225 C C 1.700 176.716 174.990 0.042 0.000 1.472 225 C CA 0.414 59.333 59.018 -0.166 0.000 1.765 225 C CB -1.986 25.716 27.740 -0.063 0.000 1.724 225 C HN 0.676 nan 8.230 nan 0.000 0.560 226 S N -0.784 114.956 115.700 0.067 0.000 2.901 226 S HA 0.516 4.986 4.470 -0.000 0.000 0.248 226 S C -0.196 174.472 174.600 0.112 0.000 1.021 226 S CA -0.233 58.028 58.200 0.101 0.000 1.090 226 S CB -0.130 63.108 63.200 0.064 0.000 1.039 226 S HN 0.499 nan 8.310 nan 0.000 0.514 227 S N 0.732 116.528 115.700 0.159 0.000 2.851 227 S HA 0.675 5.144 4.470 -0.000 0.000 0.313 227 S C -0.998 173.753 174.600 0.251 0.000 1.163 227 S CA -0.923 57.370 58.200 0.156 0.000 0.850 227 S CB 0.872 64.145 63.200 0.122 0.000 1.245 227 S HN 0.456 nan 8.310 nan 0.000 0.558 228 I N 1.217 121.883 120.570 0.161 0.000 2.382 228 I HA 0.329 4.499 4.170 -0.000 0.000 0.286 228 I C -0.893 175.330 176.117 0.177 0.000 1.002 228 I CA -0.400 60.959 61.300 0.099 0.000 1.135 228 I CB 1.117 39.003 38.000 -0.190 0.000 1.288 228 I HN 0.435 nan 8.210 nan 0.000 0.448 229 C N 6.736 126.235 119.300 0.333 0.000 2.394 229 C HA 0.314 4.774 4.460 -0.000 0.000 0.362 229 C C 0.753 175.898 174.990 0.258 0.000 1.268 229 C CA -0.459 58.759 59.018 0.333 0.000 1.828 229 C CB -0.379 27.654 27.740 0.488 0.000 2.442 229 C HN 0.709 nan 8.230 nan 0.000 0.549 230 K N 1.728 122.288 120.400 0.268 0.000 2.245 230 K HA 0.635 4.955 4.320 -0.000 0.000 0.234 230 K C -1.312 175.502 176.600 0.358 0.000 1.021 230 K CA -0.580 55.833 56.287 0.209 0.000 0.898 230 K CB 1.804 34.287 32.500 -0.028 0.000 1.163 230 K HN 0.676 nan 8.250 nan 0.000 0.459 231 Y N 0.218 120.604 120.300 0.144 0.000 2.376 231 Y HA 0.221 4.771 4.550 -0.000 0.000 0.321 231 Y C -2.831 173.090 175.900 0.035 0.000 1.189 231 Y CA -1.919 56.289 58.100 0.180 0.000 1.069 231 Y CB 1.788 40.341 38.460 0.155 0.000 1.292 231 Y HN 0.382 nan 8.280 nan 0.000 0.430 232 P HA -0.065 nan 4.420 nan 0.000 0.264 232 P C -0.825 176.259 177.300 -0.359 0.000 1.179 232 P CA 0.645 63.401 63.100 -0.573 0.000 0.763 232 P CB 0.518 31.535 31.700 -1.138 0.000 0.806 233 D N 2.776 123.013 120.400 -0.272 0.000 2.524 233 D HA 0.061 4.700 4.640 -0.000 0.000 0.222 233 D C 0.460 176.666 176.300 -0.155 0.000 1.142 233 D CA -0.264 53.676 54.000 -0.100 0.000 0.973 233 D CB -0.139 40.603 40.800 -0.096 0.000 1.025 233 D HN 0.315 nan 8.370 nan 0.000 0.519 234 Y N 1.446 121.706 120.300 -0.067 0.000 2.224 234 Y HA -0.153 4.397 4.550 -0.000 0.000 0.289 234 Y C 2.265 178.104 175.900 -0.102 0.000 1.146 234 Y CA 0.782 58.783 58.100 -0.165 0.000 1.182 234 Y CB 0.129 38.527 38.460 -0.104 0.000 0.983 234 Y HN 0.338 nan 8.280 nan 0.000 0.524 235 L N -0.085 121.203 121.223 0.109 0.000 1.994 235 L HA -0.263 4.076 4.340 -0.000 0.000 0.208 235 L C 2.535 179.417 176.870 0.021 0.000 1.071 235 L CA 1.627 56.505 54.840 0.063 0.000 0.745 235 L CB -0.457 41.639 42.059 0.062 0.000 0.892 235 L HN 0.146 nan 8.230 nan 0.000 0.431 236 K N 0.048 120.442 120.400 -0.010 0.000 1.973 236 K HA -0.176 4.144 4.320 -0.000 0.000 0.210 236 K C 2.216 178.795 176.600 -0.036 0.000 1.045 236 K CA 1.617 57.888 56.287 -0.027 0.000 0.937 236 K CB -0.113 32.357 32.500 -0.051 0.000 0.721 236 K HN 0.123 nan 8.250 nan 0.000 0.438 237 M N 0.415 119.967 119.600 -0.079 0.000 2.108 237 M HA -0.217 4.263 4.480 -0.000 0.000 0.257 237 M C 2.153 178.427 176.300 -0.042 0.000 1.071 237 M CA 1.481 56.727 55.300 -0.090 0.000 1.093 237 M CB -0.458 32.042 32.600 -0.168 0.000 1.345 237 M HN 0.000 nan 8.290 nan 0.000 0.403 238 V N -0.685 119.209 119.914 -0.033 0.000 2.490 238 V HA -0.202 3.917 4.120 -0.000 0.000 0.250 238 V C 2.101 178.226 176.094 0.052 0.000 1.061 238 V CA 1.846 64.160 62.300 0.024 0.000 1.064 238 V CB -0.386 31.465 31.823 0.047 0.000 0.670 238 V HN 0.418 nan 8.190 nan 0.000 0.461 239 S N -1.122 114.600 115.700 0.037 0.000 2.605 239 S HA 0.051 4.521 4.470 -0.000 0.000 0.217 239 S C 0.799 175.429 174.600 0.051 0.000 0.958 239 S CA -0.180 58.048 58.200 0.047 0.000 0.919 239 S CB -0.315 62.906 63.200 0.035 0.000 0.780 239 S HN 0.745 nan 8.310 nan 0.000 0.507 240 E N 2.731 122.963 120.200 0.052 0.000 2.338 240 E HA 0.081 4.431 4.350 -0.000 0.000 0.272 240 E C -1.566 175.087 176.600 0.089 0.000 1.029 240 E CA -1.673 54.763 56.400 0.059 0.000 0.872 240 E CB 0.925 30.658 29.700 0.055 0.000 1.015 240 E HN 0.055 nan 8.360 nan 0.000 0.417 241 P HA -0.192 nan 4.420 nan 0.000 0.217 241 P C 0.672 177.925 177.300 -0.079 0.000 1.148 241 P CA 1.473 64.537 63.100 -0.060 0.000 0.828 241 P CB -0.034 31.534 31.700 -0.221 0.000 0.783 242 Y N -0.403 119.971 120.300 0.125 0.000 2.436 242 Y HA 0.303 4.853 4.550 -0.000 0.000 0.288 242 Y C 1.606 177.668 175.900 0.270 0.000 1.112 242 Y CA 0.642 58.846 58.100 0.173 0.000 1.220 242 Y CB -0.419 38.104 38.460 0.105 0.000 1.073 242 Y HN -0.012 nan 8.280 nan 0.000 0.552 243 G N 1.576 110.579 108.800 0.337 0.000 2.392 243 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.290 243 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.290 243 G C -0.030 175.034 174.900 0.274 0.000 1.032 243 G CA 0.572 45.836 45.100 0.272 0.000 1.269 243 G HN 0.435 nan 8.290 nan 0.000 0.511 244 D N 0.128 120.637 120.400 0.181 0.000 2.463 244 D HA 0.032 4.672 4.640 -0.000 0.000 0.237 244 D C 2.366 178.582 176.300 -0.140 0.000 1.013 244 D CA 0.561 54.627 54.000 0.110 0.000 0.910 244 D CB -0.008 40.894 40.800 0.171 0.000 1.080 244 D HN 0.468 nan 8.370 nan 0.000 0.498 245 M N 0.977 120.511 119.600 -0.110 0.000 2.163 245 M HA -0.179 4.301 4.480 -0.000 0.000 0.258 245 M C 0.002 176.128 176.300 -0.290 0.000 1.071 245 M CA 1.694 56.876 55.300 -0.197 0.000 1.093 245 M CB -0.019 32.497 32.600 -0.140 0.000 1.285 245 M HN 0.033 nan 8.290 nan 0.000 0.420 246 L N -2.738 118.342 121.223 -0.238 0.000 2.401 246 L HA 0.520 4.860 4.340 -0.000 0.000 0.266 246 L C -0.977 175.833 176.870 -0.101 0.000 0.991 246 L CA -0.863 53.833 54.840 -0.240 0.000 0.818 246 L CB 1.200 43.193 42.059 -0.109 0.000 1.321 246 L HN 0.229 nan 8.230 nan 0.000 0.413 247 F N 1.044 121.142 119.950 0.246 0.000 2.764 247 F HA 0.757 5.284 4.527 -0.000 0.000 0.310 247 F C -0.480 175.568 175.800 0.413 0.000 1.124 247 F CA -1.355 56.811 58.000 0.277 0.000 1.252 247 F CB -0.125 39.015 39.000 0.234 0.000 1.010 247 F HN 0.414 nan 8.300 nan 0.000 0.518 248 F N 1.634 121.835 119.950 0.419 0.000 2.689 248 F HA 0.468 4.995 4.527 -0.000 0.000 0.314 248 F C -2.012 174.007 175.800 0.365 0.000 1.061 248 F CA -1.649 56.546 58.000 0.326 0.000 1.013 248 F CB 0.583 39.764 39.000 0.302 0.000 1.256 248 F HN 0.132 nan 8.300 nan 0.000 0.480 249 Y N 3.761 123.657 120.300 -0.673 0.000 2.641 249 Y HA 0.819 5.369 4.550 -0.000 0.000 0.333 249 Y C -2.375 173.199 175.900 -0.543 0.000 1.174 249 Y CA -1.670 56.198 58.100 -0.387 0.000 1.057 249 Y CB 1.616 40.046 38.460 -0.050 0.000 1.322 249 Y HN 0.618 nan 8.280 nan 0.000 0.457 250 L N 3.576 124.694 121.223 -0.175 0.000 2.541 250 L HA 0.587 4.927 4.340 -0.000 0.000 0.266 250 L C -1.079 175.765 176.870 -0.043 0.000 0.966 250 L CA -0.856 53.829 54.840 -0.258 0.000 0.871 250 L CB 2.215 44.088 42.059 -0.309 0.000 1.232 250 L HN 0.802 nan 8.230 nan 0.000 0.408 251 R N 2.329 122.801 120.500 -0.046 0.000 2.668 251 R HA 0.835 5.175 4.340 -0.000 0.000 0.279 251 R C -0.501 175.765 176.300 -0.056 0.000 0.976 251 R CA -1.037 55.061 56.100 -0.003 0.000 0.978 251 R CB 1.809 32.089 30.300 -0.033 0.000 1.133 251 R HN 0.392 nan 8.270 nan 0.000 0.484 252 R N 1.249 121.735 120.500 -0.023 0.000 3.101 252 R HA 0.077 4.417 4.340 -0.000 0.000 0.242 252 R C -1.462 174.852 176.300 0.023 0.000 1.831 252 R CA -0.203 55.882 56.100 -0.025 0.000 1.321 252 R CB 0.779 31.039 30.300 -0.067 0.000 1.512 252 R HN 0.900 nan 8.270 nan 0.000 0.568 253 E N 2.434 122.664 120.200 0.051 0.000 2.227 253 E HA 0.424 4.774 4.350 -0.000 0.000 0.268 253 E C -1.265 175.380 176.600 0.075 0.000 0.907 253 E CA -1.046 55.406 56.400 0.085 0.000 0.786 253 E CB 2.350 32.139 29.700 0.148 0.000 1.191 253 E HN 0.422 nan 8.360 nan 0.000 0.411 254 Q N 2.910 122.761 119.800 0.085 0.000 2.313 254 Q HA 0.443 4.783 4.340 -0.000 0.000 0.255 254 Q C -1.369 174.696 176.000 0.108 0.000 0.944 254 Q CA -0.777 55.079 55.803 0.089 0.000 0.881 254 Q CB 1.814 30.601 28.738 0.081 0.000 1.375 254 Q HN 0.673 nan 8.270 nan 0.000 0.422 255 M N 3.639 123.309 119.600 0.117 0.000 2.664 255 M HA 0.791 5.271 4.480 -0.000 0.000 0.279 255 M C -2.039 174.370 176.300 0.182 0.000 1.275 255 M CA -0.751 54.612 55.300 0.105 0.000 0.829 255 M CB 2.518 35.152 32.600 0.056 0.000 1.727 255 M HN 0.880 nan 8.290 nan 0.000 0.459 256 F N -0.018 119.952 119.950 0.033 0.000 2.685 256 F HA 0.726 5.253 4.527 -0.000 0.000 0.315 256 F C -1.700 174.106 175.800 0.010 0.000 1.126 256 F CA -1.099 56.909 58.000 0.013 0.000 0.950 256 F CB 0.641 39.644 39.000 0.006 0.000 1.360 256 F HN 0.207 nan 8.300 nan 0.000 0.469 257 V N 3.293 123.379 119.914 0.288 0.000 2.370 257 V HA 0.265 4.385 4.120 -0.000 0.000 0.257 257 V C 1.049 177.236 176.094 0.155 0.000 1.064 257 V CA -0.052 62.310 62.300 0.103 0.000 0.975 257 V CB -0.020 31.839 31.823 0.060 0.000 1.067 257 V HN 0.934 nan 8.190 nan 0.000 0.485 258 R N 3.901 124.374 120.500 -0.045 0.000 2.060 258 R HA 0.030 4.369 4.340 -0.000 0.000 0.225 258 R C 0.752 177.125 176.300 0.121 0.000 1.155 258 R CA 1.378 57.532 56.100 0.090 0.000 0.930 258 R CB -0.089 30.239 30.300 0.046 0.000 0.829 258 R HN 0.737 nan 8.270 nan 0.000 0.433 259 H N -1.676 117.299 119.070 -0.158 0.000 2.748 259 H HA 0.554 5.110 4.556 -0.000 0.000 0.315 259 H C -0.977 174.068 175.328 -0.471 0.000 1.429 259 H CA -0.478 55.337 56.048 -0.387 0.000 1.444 259 H CB 1.026 30.358 29.762 -0.717 0.000 1.827 259 H HN 0.134 nan 8.280 nan 0.000 0.754 260 L N 1.012 121.893 121.223 -0.570 0.000 2.439 260 L HA 0.450 4.790 4.340 -0.000 0.000 0.270 260 L C -1.183 175.379 176.870 -0.514 0.000 0.972 260 L CA -0.242 54.327 54.840 -0.451 0.000 0.836 260 L CB 1.147 43.045 42.059 -0.269 0.000 1.255 260 L HN 0.344 nan 8.230 nan 0.000 0.404 261 F N 0.336 120.068 119.950 -0.363 0.000 2.618 261 F HA 0.478 5.005 4.527 -0.000 0.000 0.332 261 F C 0.210 176.026 175.800 0.027 0.000 1.061 261 F CA -0.766 57.064 58.000 -0.282 0.000 0.974 261 F CB 2.071 40.697 39.000 -0.623 0.000 1.310 261 F HN 0.433 nan 8.300 nan 0.000 0.491 262 N N 0.661 119.623 118.700 0.437 0.000 2.362 262 N HA 0.357 5.096 4.740 -0.000 0.000 0.298 262 N C -0.899 174.845 175.510 0.390 0.000 1.048 262 N CA -0.836 52.424 53.050 0.349 0.000 0.858 262 N CB 0.953 39.582 38.487 0.236 0.000 1.218 262 N HN 0.337 nan 8.380 nan 0.000 0.488 263 R N 1.064 121.736 120.500 0.288 0.000 2.543 263 R HA 0.507 4.847 4.340 -0.000 0.000 0.268 263 R C -0.391 175.940 176.300 0.051 0.000 1.067 263 R CA -0.447 55.735 56.100 0.136 0.000 1.142 263 R CB 0.880 31.193 30.300 0.022 0.000 1.110 263 R HN 0.551 nan 8.270 nan 0.000 0.549 264 A N -0.246 122.577 122.820 0.006 0.000 2.281 264 A HA 0.777 5.097 4.320 -0.000 0.000 0.329 264 A C 0.057 177.629 177.584 -0.020 0.000 1.122 264 A CA 0.083 52.118 52.037 -0.003 0.000 0.850 264 A CB 1.105 20.100 19.000 -0.008 0.000 1.207 264 A HN 0.805 nan 8.150 nan 0.000 0.495 265 G N -0.500 108.291 108.800 -0.015 0.000 2.570 265 G HA2 0.395 4.355 3.960 -0.000 0.000 0.686 265 G HA3 0.395 4.355 3.960 -0.000 0.000 0.686 265 G C -0.118 174.771 174.900 -0.018 0.000 1.257 265 G CA -0.107 44.982 45.100 -0.019 0.000 0.846 265 G HN 2.150 nan 8.290 nan 0.000 0.627 266 T N -1.846 112.698 114.554 -0.016 0.000 2.926 266 T HA 0.494 4.844 4.350 -0.000 0.000 0.307 266 T C 0.716 175.404 174.700 -0.021 0.000 1.059 266 T CA 0.022 62.113 62.100 -0.015 0.000 1.122 266 T CB 1.374 70.236 68.868 -0.010 0.000 0.972 266 T HN 1.588 nan 8.240 nan 0.000 0.545 267 V N 4.138 124.038 119.914 -0.024 0.000 2.439 267 V HA 0.366 4.486 4.120 -0.000 0.000 0.271 267 V C 1.788 177.870 176.094 -0.019 0.000 1.040 267 V CA 0.179 62.462 62.300 -0.029 0.000 1.002 267 V CB 0.086 31.884 31.823 -0.040 0.000 1.000 267 V HN 1.188 nan 8.190 nan 0.000 0.477 268 G N 4.396 113.185 108.800 -0.019 0.000 2.524 268 G HA2 -0.136 3.824 3.960 -0.000 0.000 0.215 268 G HA3 -0.136 3.824 3.960 -0.000 0.000 0.215 268 G C 0.519 175.413 174.900 -0.010 0.000 1.239 268 G CA 0.100 45.191 45.100 -0.014 0.000 0.798 268 G HN 0.733 nan 8.290 nan 0.000 0.557 269 E N 1.678 121.871 120.200 -0.012 0.000 1.941 269 E HA 0.335 4.685 4.350 -0.000 0.000 0.275 269 E C 0.089 176.687 176.600 -0.003 0.000 1.113 269 E CA -0.317 56.080 56.400 -0.006 0.000 0.878 269 E CB 0.533 30.228 29.700 -0.008 0.000 1.070 269 E HN 0.374 nan 8.360 nan 0.000 0.399 270 T N -1.013 113.544 114.554 0.004 0.000 2.856 270 T HA 0.153 4.503 4.350 -0.000 0.000 0.306 270 T C 0.660 175.376 174.700 0.027 0.000 1.062 270 T CA -0.954 61.152 62.100 0.010 0.000 1.083 270 T CB 0.886 69.767 68.868 0.021 0.000 0.984 270 T HN 0.033 nan 8.240 nan 0.000 0.542 271 V N 3.905 123.838 119.914 0.032 0.000 2.637 271 V HA 0.228 4.348 4.120 -0.000 0.000 0.296 271 V C -1.724 174.457 176.094 0.144 0.000 1.046 271 V CA -1.356 60.986 62.300 0.071 0.000 1.066 271 V CB -0.073 31.773 31.823 0.038 0.000 0.968 271 V HN 0.845 nan 8.190 nan 0.000 0.483 272 P HA 0.237 nan 4.420 nan 0.000 0.276 272 P C 0.283 177.658 177.300 0.126 0.000 1.243 272 P CA -0.265 62.895 63.100 0.100 0.000 0.768 272 P CB 1.034 32.770 31.700 0.059 0.000 0.856 273 A N 3.135 125.980 122.820 0.041 0.000 2.248 273 A HA -0.102 4.218 4.320 -0.000 0.000 0.210 273 A C 1.171 178.545 177.584 -0.350 0.000 1.174 273 A CA 0.901 52.819 52.037 -0.199 0.000 0.750 273 A CB -0.710 18.186 19.000 -0.173 0.000 0.780 273 A HN 0.618 nan 8.150 nan 0.000 0.478 274 D N -0.756 119.564 120.400 -0.135 0.000 2.342 274 D HA 0.070 4.710 4.640 -0.000 0.000 0.221 274 D C 1.136 177.400 176.300 -0.061 0.000 1.101 274 D CA -0.066 53.868 54.000 -0.110 0.000 0.837 274 D CB -0.023 40.743 40.800 -0.057 0.000 0.938 274 D HN 0.466 nan 8.370 nan 0.000 0.508 275 L N -0.341 120.872 121.223 -0.016 0.000 2.554 275 L HA 0.155 4.495 4.340 -0.000 0.000 0.225 275 L C -0.015 176.954 176.870 0.165 0.000 1.104 275 L CA 0.123 55.020 54.840 0.095 0.000 0.866 275 L CB 0.073 42.238 42.059 0.176 0.000 1.047 275 L HN 0.109 nan 8.230 nan 0.000 0.468 276 Y N -2.978 117.321 120.300 -0.002 0.000 2.655 276 Y HA 0.602 5.152 4.550 -0.000 0.000 0.336 276 Y C -0.851 175.043 175.900 -0.009 0.000 1.154 276 Y CA -1.495 56.602 58.100 -0.005 0.000 1.055 276 Y CB 0.971 39.427 38.460 -0.007 0.000 1.295 276 Y HN -0.265 nan 8.280 nan 0.000 0.465 277 I N 2.888 123.518 120.570 0.100 0.000 2.336 277 I HA 0.246 4.416 4.170 -0.000 0.000 0.292 277 I C -0.350 175.801 176.117 0.057 0.000 0.991 277 I CA -1.230 60.054 61.300 -0.026 0.000 1.227 277 I CB 1.386 39.392 38.000 0.010 0.000 1.366 277 I HN 0.470 nan 8.210 nan 0.000 0.466 278 K N 4.780 125.148 120.400 -0.053 0.000 2.405 278 K HA 0.008 4.328 4.320 -0.000 0.000 0.273 278 K C 0.139 176.782 176.600 0.073 0.000 1.116 278 K CA 0.062 56.371 56.287 0.037 0.000 1.155 278 K CB 0.102 32.588 32.500 -0.023 0.000 0.858 278 K HN 0.850 nan 8.250 nan 0.000 0.477 279 G N 2.436 111.305 108.800 0.114 0.000 2.335 279 G HA2 0.134 4.094 3.960 -0.000 0.000 0.314 279 G HA3 0.134 4.094 3.960 -0.000 0.000 0.314 279 G C -0.067 174.845 174.900 0.021 0.000 1.129 279 G CA -0.425 44.701 45.100 0.044 0.000 0.912 279 G HN 0.488 nan 8.290 nan 0.000 0.443 280 T N 1.476 116.041 114.554 0.018 0.000 2.939 280 T HA 0.290 4.640 4.350 -0.000 0.000 0.319 280 T C 0.772 175.487 174.700 0.026 0.000 1.082 280 T CA 1.326 63.441 62.100 0.024 0.000 1.133 280 T CB -0.214 68.669 68.868 0.025 0.000 1.019 280 T HN 1.223 nan 8.240 nan 0.000 0.548 281 T N 1.971 116.552 114.554 0.045 0.000 2.779 281 T HA 0.227 4.577 4.350 -0.000 0.000 0.479 281 T C -0.022 174.724 174.700 0.077 0.000 0.792 281 T CA 0.595 62.742 62.100 0.079 0.000 2.536 281 T CB -1.805 67.130 68.868 0.112 0.000 1.697 281 T HN 1.671 nan 8.240 nan 0.000 0.590 282 G N 1.050 109.900 108.800 0.083 0.000 2.352 282 G HA2 0.412 4.372 3.960 -0.000 0.000 0.303 282 G HA3 0.412 4.372 3.960 -0.000 0.000 0.303 282 G C -0.049 174.888 174.900 0.061 0.000 1.593 282 G CA -0.016 45.138 45.100 0.091 0.000 0.963 282 G HN 0.546 nan 8.290 nan 0.000 0.685 283 T N 1.059 115.661 114.554 0.079 0.000 3.163 283 T HA 0.398 4.748 4.350 -0.000 0.000 0.252 283 T C 0.561 175.265 174.700 0.006 0.000 1.056 283 T CA 0.513 62.641 62.100 0.047 0.000 0.947 283 T CB -0.347 68.552 68.868 0.052 0.000 1.016 283 T HN 1.834 nan 8.240 nan 0.000 0.554 284 L N 2.526 123.724 121.223 -0.042 0.000 2.728 284 L HA -0.089 4.250 4.340 -0.000 0.000 0.527 284 L C -2.095 174.730 176.870 -0.076 0.000 1.002 284 L CA -0.570 54.195 54.840 -0.125 0.000 1.273 284 L CB -0.600 41.361 42.059 -0.162 0.000 1.435 284 L HN 0.131 nan 8.230 nan 0.000 0.711 285 P HA 0.123 nan 4.420 nan 0.000 0.272 285 P C -0.254 177.013 177.300 -0.056 0.000 1.230 285 P CA -0.146 62.960 63.100 0.011 0.000 0.788 285 P CB 1.016 32.747 31.700 0.051 0.000 0.949 286 S N 0.640 116.315 115.700 -0.042 0.000 2.593 286 S HA 0.000 4.470 4.470 -0.000 0.000 0.300 286 S C 0.747 175.159 174.600 -0.314 0.000 1.267 286 S CA 0.343 58.470 58.200 -0.121 0.000 1.065 286 S CB -0.696 62.464 63.200 -0.068 0.000 0.807 286 S HN 0.509 nan 8.310 nan 0.000 0.499 287 T N 3.100 117.405 114.554 -0.416 0.000 3.132 287 T HA 0.147 4.497 4.350 -0.000 0.000 0.274 287 T C 0.182 174.430 174.700 -0.753 0.000 1.011 287 T CA -0.072 61.602 62.100 -0.709 0.000 0.899 287 T CB 0.053 68.759 68.868 -0.269 0.000 1.089 287 T HN 0.683 nan 8.240 nan 0.000 0.543 288 S N 1.859 117.283 115.700 -0.460 0.000 3.170 288 S HA 0.507 4.977 4.470 -0.000 0.000 0.257 288 S C -0.490 174.092 174.600 -0.030 0.000 1.284 288 S CA -0.893 57.216 58.200 -0.151 0.000 0.973 288 S CB -0.498 62.672 63.200 -0.051 0.000 1.330 288 S HN 0.331 nan 8.310 nan 0.000 0.493 289 Y N 1.921 122.322 120.300 0.169 0.000 2.392 289 Y HA 0.698 5.247 4.550 -0.000 0.000 0.323 289 Y C 0.030 176.110 175.900 0.299 0.000 1.291 289 Y CA -1.293 56.925 58.100 0.197 0.000 1.345 289 Y CB 0.869 39.382 38.460 0.089 0.000 1.320 289 Y HN 0.706 nan 8.280 nan 0.000 0.518 290 F N 0.197 120.329 119.950 0.303 0.000 2.669 290 F HA 0.620 5.147 4.527 -0.000 0.000 0.315 290 F C -3.673 172.251 175.800 0.207 0.000 1.109 290 F CA -2.295 55.830 58.000 0.208 0.000 1.028 290 F CB 1.509 40.644 39.000 0.225 0.000 1.287 290 F HN 0.122 nan 8.300 nan 0.000 0.452 291 P HA 0.342 nan 4.420 nan 0.000 0.292 291 P C -1.171 176.091 177.300 -0.065 0.000 1.300 291 P CA -0.372 62.643 63.100 -0.141 0.000 0.900 291 P CB 2.402 34.049 31.700 -0.087 0.000 1.139 292 T N 4.278 118.840 114.554 0.013 0.000 2.728 292 T HA 0.317 4.667 4.350 -0.000 0.000 0.296 292 T C -1.904 172.785 174.700 -0.018 0.000 0.940 292 T CA -1.152 61.012 62.100 0.107 0.000 1.013 292 T CB 0.439 69.426 68.868 0.198 0.000 0.912 292 T HN 0.385 nan 8.240 nan 0.000 0.484 293 P HA 0.316 nan 4.420 nan 0.000 0.293 293 P C -0.524 176.650 177.300 -0.209 0.000 1.298 293 P CA -0.548 62.483 63.100 -0.115 0.000 0.757 293 P CB 0.635 32.315 31.700 -0.033 0.000 1.262 294 S N -2.275 113.171 115.700 -0.423 0.000 2.584 294 S HA 0.485 4.955 4.470 -0.000 0.000 0.280 294 S C 0.279 174.632 174.600 -0.411 0.000 1.162 294 S CA -0.345 57.523 58.200 -0.553 0.000 0.951 294 S CB 0.105 62.547 63.200 -1.262 0.000 1.108 294 S HN 0.550 nan 8.310 nan 0.000 0.464 295 G N 2.046 110.779 108.800 -0.112 0.000 3.314 295 G HA2 0.400 4.359 3.960 -0.000 0.000 0.238 295 G HA3 0.400 4.359 3.960 -0.000 0.000 0.238 295 G C 0.770 175.733 174.900 0.105 0.000 1.184 295 G CA 0.665 45.779 45.100 0.024 0.000 0.806 295 G HN 1.522 nan 8.290 nan 0.000 0.536 296 S N -0.854 114.934 115.700 0.148 0.000 4.139 296 S HA -0.319 4.151 4.470 -0.000 0.000 0.603 296 S C 0.487 175.194 174.600 0.180 0.000 1.897 296 S CA 1.523 59.927 58.200 0.340 0.000 4.241 296 S CB -1.172 62.281 63.200 0.421 0.000 0.221 296 S HN 0.818 nan 8.310 nan 0.000 0.488 297 M N 2.212 121.893 119.600 0.135 0.000 2.393 297 M HA 0.631 5.111 4.480 -0.000 0.000 0.316 297 M C -0.661 175.674 176.300 0.059 0.000 1.087 297 M CA -0.619 54.730 55.300 0.083 0.000 0.937 297 M CB 1.732 34.372 32.600 0.067 0.000 1.668 297 M HN 0.716 nan 8.290 nan 0.000 0.438 298 V N 1.590 121.532 119.914 0.047 0.000 2.743 298 V HA 0.972 5.092 4.120 -0.000 0.000 0.301 298 V C -0.371 175.738 176.094 0.025 0.000 1.057 298 V CA -0.176 62.146 62.300 0.036 0.000 1.006 298 V CB 1.175 33.020 31.823 0.036 0.000 1.024 298 V HN 0.973 nan 8.190 nan 0.000 0.473 299 T N -0.709 113.854 114.554 0.016 0.000 3.159 299 T HA 0.333 4.682 4.350 -0.000 0.000 0.343 299 T C 0.544 175.244 174.700 0.001 0.000 1.364 299 T CA 0.130 62.235 62.100 0.009 0.000 1.102 299 T CB 1.297 70.169 68.868 0.006 0.000 1.263 299 T HN 0.672 nan 8.240 nan 0.000 0.477 300 S N 1.376 117.077 115.700 0.001 0.000 2.423 300 S HA -0.141 4.329 4.470 -0.000 0.000 0.238 300 S C 1.371 175.965 174.600 -0.010 0.000 1.028 300 S CA 1.704 59.903 58.200 -0.002 0.000 1.000 300 S CB -0.355 62.844 63.200 -0.001 0.000 0.797 300 S HN 0.819 nan 8.310 nan 0.000 0.487 301 D N 1.152 121.546 120.400 -0.010 0.000 2.249 301 D HA 0.141 4.781 4.640 -0.000 0.000 0.205 301 D C 2.073 178.359 176.300 -0.023 0.000 0.962 301 D CA 0.847 54.839 54.000 -0.014 0.000 0.860 301 D CB -0.142 40.652 40.800 -0.010 0.000 0.955 301 D HN 0.447 nan 8.370 nan 0.000 0.505 302 A N 1.106 123.911 122.820 -0.025 0.000 1.968 302 A HA -0.102 4.218 4.320 -0.000 0.000 0.217 302 A C 1.271 178.812 177.584 -0.071 0.000 1.169 302 A CA 0.497 52.510 52.037 -0.039 0.000 0.638 302 A CB -0.208 18.776 19.000 -0.026 0.000 0.812 302 A HN 0.054 nan 8.150 nan 0.000 0.446 303 Q N -0.445 119.316 119.800 -0.066 0.000 2.485 303 Q HA -0.066 4.273 4.340 -0.000 0.000 0.348 303 Q C 0.697 176.606 176.000 -0.152 0.000 1.097 303 Q CA 0.623 56.365 55.803 -0.103 0.000 1.079 303 Q CB 0.585 29.297 28.738 -0.043 0.000 1.108 303 Q HN 0.675 nan 8.270 nan 0.000 0.400 304 I N 1.360 121.728 120.570 -0.337 0.000 3.708 304 I HA 0.086 4.256 4.170 -0.000 0.000 0.302 304 I C -0.050 175.901 176.117 -0.277 0.000 1.255 304 I CA 0.141 61.196 61.300 -0.408 0.000 1.362 304 I CB 0.475 38.071 38.000 -0.673 0.000 1.100 304 I HN 0.381 nan 8.210 nan 0.000 0.434 305 F N 0.796 120.797 119.950 0.085 0.000 2.450 305 F HA 0.334 4.861 4.527 -0.000 0.000 0.361 305 F C 1.158 176.917 175.800 -0.069 0.000 1.092 305 F CA -0.690 57.333 58.000 0.039 0.000 1.105 305 F CB 0.156 39.144 39.000 -0.021 0.000 1.458 305 F HN -0.097 nan 8.300 nan 0.000 0.496 306 N N -0.141 118.612 118.700 0.089 0.000 2.714 306 N HA -0.224 4.515 4.740 -0.000 0.000 0.250 306 N C -1.452 173.973 175.510 -0.141 0.000 1.117 306 N CA 0.683 53.695 53.050 -0.064 0.000 0.719 306 N CB -0.904 37.572 38.487 -0.019 0.000 1.081 306 N HN 0.377 nan 8.380 nan 0.000 0.557 307 K N -0.557 119.692 120.400 -0.252 0.000 2.444 307 K HA 0.563 4.883 4.320 -0.000 0.000 0.252 307 K C -2.819 173.426 176.600 -0.591 0.000 0.993 307 K CA -1.835 54.285 56.287 -0.278 0.000 0.847 307 K CB 2.182 34.620 32.500 -0.103 0.000 1.340 307 K HN -0.193 nan 8.250 nan 0.000 0.446 308 P HA 0.182 nan 4.420 nan 0.000 0.290 308 P C -1.387 175.416 177.300 -0.827 0.000 1.276 308 P CA -0.229 62.354 63.100 -0.861 0.000 0.808 308 P CB 0.399 31.572 31.700 -0.880 0.000 0.966 309 Y N 0.776 120.657 120.300 -0.697 0.000 2.420 309 Y HA 0.459 5.009 4.550 -0.000 0.000 0.334 309 Y C 0.010 175.489 175.900 -0.702 0.000 1.094 309 Y CA -0.851 56.905 58.100 -0.574 0.000 1.126 309 Y CB 1.884 40.028 38.460 -0.527 0.000 1.217 309 Y HN 0.350 nan 8.280 nan 0.000 0.462 310 W N 4.316 125.597 121.300 -0.032 0.000 2.591 310 W HA 0.387 5.047 4.660 -0.000 0.000 0.311 310 W C -0.903 175.568 176.519 -0.080 0.000 1.003 310 W CA -0.882 56.432 57.345 -0.052 0.000 1.332 310 W CB 1.300 30.760 29.460 -0.000 0.000 1.272 310 W HN 0.394 nan 8.180 nan 0.000 0.412 311 L N 1.989 123.250 121.223 0.062 0.000 2.533 311 L HA 0.194 4.534 4.340 -0.000 0.000 0.239 311 L C 1.793 178.713 176.870 0.083 0.000 1.376 311 L CA -0.201 54.648 54.840 0.014 0.000 1.240 311 L CB -0.219 41.767 42.059 -0.122 0.000 1.487 311 L HN 0.565 nan 8.230 nan 0.000 0.419 312 Q N 0.787 120.666 119.800 0.132 0.000 2.077 312 Q HA -0.140 4.200 4.340 -0.000 0.000 0.206 312 Q C 0.175 176.216 176.000 0.068 0.000 0.989 312 Q CA 1.218 57.075 55.803 0.090 0.000 0.853 312 Q CB -0.207 28.574 28.738 0.072 0.000 0.907 312 Q HN 0.603 nan 8.270 nan 0.000 0.418 313 R N 0.208 120.761 120.500 0.088 0.000 2.476 313 R HA 0.581 4.921 4.340 -0.000 0.000 0.305 313 R C -1.183 175.184 176.300 0.112 0.000 0.965 313 R CA 0.200 56.346 56.100 0.076 0.000 0.867 313 R CB 2.048 32.387 30.300 0.065 0.000 1.176 313 R HN 0.393 nan 8.270 nan 0.000 0.447 314 A N 1.930 124.812 122.820 0.104 0.000 2.425 314 A HA 0.100 4.420 4.320 -0.000 0.000 0.242 314 A C 0.937 178.628 177.584 0.178 0.000 1.077 314 A CA -0.165 51.976 52.037 0.173 0.000 0.781 314 A CB 0.497 19.596 19.000 0.165 0.000 1.020 314 A HN 0.885 nan 8.150 nan 0.000 0.494 315 Q N 1.798 121.742 119.800 0.241 0.000 2.049 315 Q HA 0.207 4.547 4.340 -0.000 0.000 0.198 315 Q C 1.030 177.109 176.000 0.131 0.000 0.971 315 Q CA 1.398 57.313 55.803 0.186 0.000 0.833 315 Q CB -0.860 28.026 28.738 0.247 0.000 0.896 315 Q HN 0.776 nan 8.270 nan 0.000 0.434 316 G N -0.905 108.005 108.800 0.183 0.000 2.510 316 G HA2 0.223 4.183 3.960 -0.000 0.000 0.280 316 G HA3 0.223 4.183 3.960 -0.000 0.000 0.280 316 G C -0.361 174.606 174.900 0.112 0.000 1.386 316 G CA -0.149 45.038 45.100 0.145 0.000 1.047 316 G HN 0.424 nan 8.290 nan 0.000 0.527 317 H N -1.040 118.160 119.070 0.217 0.000 2.502 317 H HA 0.056 4.612 4.556 -0.000 0.000 0.283 317 H C 0.883 176.367 175.328 0.259 0.000 1.015 317 H CA 0.551 56.732 56.048 0.222 0.000 1.298 317 H CB 0.298 30.204 29.762 0.240 0.000 1.411 317 H HN 0.249 nan 8.280 nan 0.000 0.556 318 N N 1.480 120.437 118.700 0.429 0.000 2.469 318 N HA -0.054 4.686 4.740 -0.000 0.000 0.239 318 N C -0.724 174.949 175.510 0.272 0.000 1.053 318 N CA -0.105 53.192 53.050 0.412 0.000 0.937 318 N CB 0.059 38.868 38.487 0.536 0.000 1.163 318 N HN 0.159 nan 8.380 nan 0.000 0.509 319 N N 2.726 121.485 118.700 0.099 0.000 2.950 319 N HA 0.023 4.763 4.740 -0.000 0.000 0.313 319 N C 0.415 175.769 175.510 -0.259 0.000 1.213 319 N CA 0.396 53.418 53.050 -0.047 0.000 1.184 319 N CB -0.677 37.791 38.487 -0.032 0.000 1.454 319 N HN 0.787 nan 8.380 nan 0.000 0.532 320 G N 1.805 110.207 108.800 -0.662 0.000 2.386 320 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.295 320 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.295 320 G C 0.070 174.655 174.900 -0.525 0.000 0.979 320 G CA -0.182 44.087 45.100 -1.385 0.000 1.193 320 G HN 0.409 nan 8.290 nan 0.000 0.508 321 I N 0.329 120.713 120.570 -0.311 0.000 2.315 321 I HA 0.192 4.362 4.170 -0.000 0.000 0.291 321 I C 0.966 176.943 176.117 -0.233 0.000 1.006 321 I CA -1.193 59.897 61.300 -0.350 0.000 1.265 321 I CB 1.179 38.840 38.000 -0.566 0.000 1.387 321 I HN 0.258 nan 8.210 nan 0.000 0.475 322 C N 6.210 125.467 119.300 -0.073 0.000 2.861 322 C HA 0.179 4.639 4.460 -0.000 0.000 0.542 322 C C 0.397 175.438 174.990 0.085 0.000 1.074 322 C CA -1.241 57.836 59.018 0.099 0.000 1.232 322 C CB -2.335 25.511 27.740 0.176 0.000 1.433 322 C HN 0.598 nan 8.230 nan 0.000 0.606 323 W N 1.274 122.712 121.300 0.230 0.000 2.391 323 W HA 0.132 4.792 4.660 -0.000 0.000 0.339 323 W C 1.282 177.883 176.519 0.137 0.000 1.252 323 W CA 0.875 58.320 57.345 0.167 0.000 1.304 323 W CB 0.067 29.577 29.460 0.084 0.000 1.179 323 W HN 0.727 nan 8.180 nan 0.000 0.567 324 S N 2.341 118.273 115.700 0.386 0.000 3.698 324 S HA -0.289 4.181 4.470 -0.000 0.000 0.338 324 S C 0.044 174.760 174.600 0.194 0.000 1.089 324 S CA 0.668 59.010 58.200 0.237 0.000 0.991 324 S CB -1.961 61.342 63.200 0.171 0.000 0.909 324 S HN 0.763 nan 8.310 nan 0.000 0.485 325 N N -0.046 118.773 118.700 0.199 0.000 2.702 325 N HA -0.226 4.513 4.740 -0.000 0.000 0.255 325 N C -0.174 175.367 175.510 0.051 0.000 0.983 325 N CA 1.421 54.543 53.050 0.120 0.000 0.768 325 N CB -0.617 37.922 38.487 0.087 0.000 0.918 325 N HN 0.804 nan 8.380 nan 0.000 0.540 326 Q N -0.456 119.406 119.800 0.104 0.000 2.484 326 Q HA 0.770 5.110 4.340 -0.000 0.000 0.285 326 Q C -0.804 175.273 176.000 0.128 0.000 1.097 326 Q CA -0.696 55.158 55.803 0.086 0.000 0.802 326 Q CB 2.205 31.065 28.738 0.204 0.000 1.444 326 Q HN 0.239 nan 8.270 nan 0.000 0.429 327 L N 1.295 122.532 121.223 0.023 0.000 2.466 327 L HA 0.551 4.891 4.340 -0.000 0.000 0.258 327 L C -1.590 175.244 176.870 -0.060 0.000 0.973 327 L CA -0.643 54.262 54.840 0.109 0.000 0.826 327 L CB 1.873 43.938 42.059 0.011 0.000 1.372 327 L HN 0.568 nan 8.230 nan 0.000 0.409 328 F N 2.049 122.022 119.950 0.040 0.000 2.445 328 F HA 0.424 4.950 4.527 -0.000 0.000 0.348 328 F C -0.101 175.759 175.800 0.101 0.000 1.125 328 F CA -0.719 57.275 58.000 -0.010 0.000 0.983 328 F CB 1.854 40.764 39.000 -0.150 0.000 1.198 328 F HN -0.093 nan 8.300 nan 0.000 0.436 329 V N 3.365 123.458 119.914 0.298 0.000 2.288 329 V HA 0.280 4.400 4.120 -0.000 0.000 0.266 329 V C -0.052 176.257 176.094 0.358 0.000 1.048 329 V CA -0.610 61.909 62.300 0.366 0.000 0.842 329 V CB 0.642 32.706 31.823 0.401 0.000 1.064 329 V HN 0.759 nan 8.190 nan 0.000 0.472 330 T N 3.376 118.088 114.554 0.263 0.000 2.889 330 T HA 0.669 5.019 4.350 -0.000 0.000 0.291 330 T C -0.267 174.590 174.700 0.261 0.000 0.995 330 T CA -0.534 61.692 62.100 0.211 0.000 1.092 330 T CB 1.956 70.927 68.868 0.171 0.000 0.954 330 T HN 0.306 nan 8.240 nan 0.000 0.506 331 V N 2.979 123.030 119.914 0.228 0.000 2.737 331 V HA 0.411 4.531 4.120 -0.000 0.000 0.298 331 V C -0.878 175.310 176.094 0.158 0.000 1.163 331 V CA -0.732 61.706 62.300 0.230 0.000 0.925 331 V CB 2.133 34.104 31.823 0.247 0.000 1.037 331 V HN 0.806 nan 8.190 nan 0.000 0.433 332 V N 3.516 123.528 119.914 0.163 0.000 2.735 332 V HA 0.751 4.871 4.120 -0.000 0.000 0.310 332 V C -1.166 175.055 176.094 0.212 0.000 1.061 332 V CA -0.422 61.906 62.300 0.046 0.000 0.913 332 V CB 2.307 34.020 31.823 -0.184 0.000 1.005 332 V HN 0.943 nan 8.190 nan 0.000 0.428 333 D N 1.692 122.203 120.400 0.184 0.000 2.474 333 D HA 0.167 4.807 4.640 -0.000 0.000 0.234 333 D C 0.638 177.045 176.300 0.178 0.000 1.323 333 D CA 0.024 54.175 54.000 0.252 0.000 0.915 333 D CB 1.237 42.214 40.800 0.295 0.000 1.487 333 D HN 0.579 nan 8.370 nan 0.000 0.524 334 T N -1.174 113.470 114.554 0.150 0.000 3.194 334 T HA -0.011 4.339 4.350 -0.000 0.000 0.251 334 T C 1.728 176.496 174.700 0.113 0.000 1.132 334 T CA 0.836 63.018 62.100 0.138 0.000 1.028 334 T CB -0.098 68.849 68.868 0.132 0.000 0.976 334 T HN 0.365 nan 8.240 nan 0.000 0.535 335 T N 0.483 115.104 114.554 0.112 0.000 3.023 335 T HA 0.047 4.397 4.350 -0.000 0.000 0.266 335 T C 1.769 176.508 174.700 0.066 0.000 1.093 335 T CA 0.049 62.196 62.100 0.079 0.000 1.129 335 T CB -0.222 68.689 68.868 0.072 0.000 0.899 335 T HN 0.445 nan 8.240 nan 0.000 0.491 336 R N 1.549 122.101 120.500 0.087 0.000 2.397 336 R HA 0.222 4.562 4.340 -0.000 0.000 0.241 336 R C 1.644 177.993 176.300 0.082 0.000 0.914 336 R CA 0.474 56.625 56.100 0.084 0.000 1.071 336 R CB 0.097 30.455 30.300 0.096 0.000 1.116 336 R HN 0.524 nan 8.270 nan 0.000 0.524 337 S N 1.139 116.874 115.700 0.057 0.000 3.062 337 S HA -0.084 4.386 4.470 -0.000 0.000 0.248 337 S C 0.511 174.883 174.600 -0.381 0.000 1.015 337 S CA 0.097 58.248 58.200 -0.082 0.000 1.109 337 S CB -1.149 62.083 63.200 0.053 0.000 0.850 337 S HN 0.163 nan 8.310 nan 0.000 0.531 338 T N 1.281 115.607 114.554 -0.381 0.000 2.832 338 T HA 0.293 4.643 4.350 -0.000 0.000 0.296 338 T C -0.243 174.138 174.700 -0.532 0.000 0.968 338 T CA -0.822 61.071 62.100 -0.345 0.000 1.107 338 T CB 0.277 69.059 68.868 -0.143 0.000 0.916 338 T HN 0.480 nan 8.240 nan 0.000 0.517 339 N N 3.444 121.936 118.700 -0.347 0.000 2.501 339 N HA 0.320 5.060 4.740 -0.000 0.000 0.245 339 N C 0.222 175.644 175.510 -0.146 0.000 0.974 339 N CA -0.659 52.234 53.050 -0.261 0.000 0.941 339 N CB 0.886 39.209 38.487 -0.272 0.000 1.122 339 N HN 0.666 nan 8.380 nan 0.000 0.507 340 M N 0.168 119.722 119.600 -0.076 0.000 2.235 340 M HA 0.365 4.845 4.480 -0.000 0.000 0.351 340 M C -0.244 176.034 176.300 -0.037 0.000 1.178 340 M CA -0.399 54.876 55.300 -0.041 0.000 1.143 340 M CB 0.813 33.410 32.600 -0.006 0.000 1.530 340 M HN 0.195 nan 8.290 nan 0.000 0.461 341 S N 2.466 118.154 115.700 -0.021 0.000 2.438 341 S HA 0.574 5.044 4.470 -0.000 0.000 0.293 341 S C 0.024 174.654 174.600 0.050 0.000 1.141 341 S CA -1.007 57.197 58.200 0.007 0.000 1.080 341 S CB 0.947 64.150 63.200 0.004 0.000 0.978 341 S HN 0.721 nan 8.310 nan 0.000 0.479 342 V N 0.452 120.423 119.914 0.095 0.000 2.509 342 V HA 0.631 4.751 4.120 -0.000 0.000 0.284 342 V C 0.135 176.343 176.094 0.190 0.000 1.047 342 V CA -0.994 61.379 62.300 0.122 0.000 0.952 342 V CB 0.525 32.413 31.823 0.107 0.000 0.988 342 V HN 1.073 nan 8.190 nan 0.000 0.469 343 C N 5.255 124.657 119.300 0.170 0.000 2.293 343 C HA 0.774 5.233 4.460 -0.000 0.000 0.323 343 C C 0.298 175.442 174.990 0.257 0.000 1.240 343 C CA 0.204 59.353 59.018 0.219 0.000 1.497 343 C CB 0.013 27.853 27.740 0.166 0.000 2.171 343 C HN 1.207 nan 8.230 nan 0.000 0.465 344 S N 4.106 119.986 115.700 0.300 0.000 2.532 344 S HA 0.864 5.333 4.470 -0.000 0.000 0.301 344 S C -0.094 174.615 174.600 0.182 0.000 1.083 344 S CA -0.126 58.211 58.200 0.227 0.000 1.025 344 S CB 1.524 64.842 63.200 0.197 0.000 1.056 344 S HN 1.293 nan 8.310 nan 0.000 0.494 345 A N 2.793 125.653 122.820 0.067 0.000 2.269 345 A HA 0.682 5.002 4.320 -0.000 0.000 0.319 345 A C 0.712 178.192 177.584 -0.173 0.000 1.110 345 A CA -0.607 51.311 52.037 -0.198 0.000 0.847 345 A CB 0.841 19.714 19.000 -0.211 0.000 1.161 345 A HN 0.810 nan 8.150 nan 0.000 0.497 346 V N 0.375 120.120 119.914 -0.281 0.000 2.795 346 V HA 0.109 4.229 4.120 -0.000 0.000 0.243 346 V C 0.575 176.583 176.094 -0.145 0.000 1.069 346 V CA 1.668 63.867 62.300 -0.168 0.000 1.089 346 V CB 0.222 31.939 31.823 -0.177 0.000 0.756 346 V HN 1.013 nan 8.190 nan 0.000 0.471 347 S N -0.815 114.770 115.700 -0.191 0.000 2.649 347 S HA 0.276 4.746 4.470 -0.000 0.000 0.274 347 S C -0.081 174.450 174.600 -0.115 0.000 1.176 347 S CA -0.086 58.043 58.200 -0.119 0.000 0.988 347 S CB 1.587 64.733 63.200 -0.091 0.000 1.071 347 S HN 0.242 nan 8.310 nan 0.000 0.478 348 S N 1.136 116.802 115.700 -0.056 0.000 2.767 348 S HA 0.140 4.610 4.470 -0.000 0.000 0.253 348 S C 1.128 175.731 174.600 0.006 0.000 1.082 348 S CA -0.060 58.135 58.200 -0.008 0.000 1.148 348 S CB -0.786 62.431 63.200 0.029 0.000 0.808 348 S HN 0.964 nan 8.310 nan 0.000 0.466 349 S N -0.385 115.305 115.700 -0.016 0.000 2.517 349 S HA 0.143 4.613 4.470 -0.000 0.000 0.214 349 S C 0.138 174.740 174.600 0.003 0.000 0.991 349 S CA -0.391 57.805 58.200 -0.006 0.000 0.906 349 S CB -0.053 63.137 63.200 -0.017 0.000 0.789 349 S HN 0.390 nan 8.310 nan 0.000 0.513 350 D N 2.144 122.547 120.400 0.004 0.000 2.348 350 D HA 0.406 5.046 4.640 -0.000 0.000 0.249 350 D C 0.843 177.176 176.300 0.055 0.000 1.110 350 D CA 0.099 54.111 54.000 0.020 0.000 0.967 350 D CB 1.670 42.473 40.800 0.006 0.000 1.139 350 D HN 0.360 nan 8.370 nan 0.000 0.466 351 S N -1.769 113.966 115.700 0.059 0.000 2.632 351 S HA 0.136 4.606 4.470 -0.000 0.000 0.237 351 S C 0.425 175.080 174.600 0.091 0.000 1.037 351 S CA -0.255 57.988 58.200 0.071 0.000 1.009 351 S CB 0.389 63.618 63.200 0.050 0.000 0.974 351 S HN 0.306 nan 8.310 nan 0.000 0.544 352 T N 1.869 116.483 114.554 0.100 0.000 2.885 352 T HA 0.448 4.798 4.350 -0.000 0.000 0.285 352 T C -1.459 173.356 174.700 0.191 0.000 1.019 352 T CA -0.445 61.733 62.100 0.129 0.000 1.010 352 T CB 1.201 70.126 68.868 0.094 0.000 1.022 352 T HN 0.284 nan 8.240 nan 0.000 0.466 353 Y N 2.802 123.159 120.300 0.095 0.000 2.436 353 Y HA 0.360 4.910 4.550 -0.000 0.000 0.336 353 Y C 0.196 176.188 175.900 0.152 0.000 1.049 353 Y CA 0.197 58.380 58.100 0.139 0.000 1.294 353 Y CB 0.195 38.676 38.460 0.034 0.000 1.179 353 Y HN 0.428 nan 8.280 nan 0.000 0.520 354 K N 4.714 125.004 120.400 -0.183 0.000 2.378 354 K HA 0.255 4.575 4.320 -0.000 0.000 0.252 354 K C 0.159 176.630 176.600 -0.215 0.000 0.931 354 K CA -0.770 55.441 56.287 -0.127 0.000 0.794 354 K CB 1.686 34.158 32.500 -0.048 0.000 1.181 354 K HN 0.639 nan 8.250 nan 0.000 0.425 355 N N 1.077 119.722 118.700 -0.091 0.000 2.244 355 N HA -0.133 4.607 4.740 -0.000 0.000 0.183 355 N C 0.495 176.016 175.510 0.018 0.000 1.016 355 N CA 0.950 53.995 53.050 -0.009 0.000 0.866 355 N CB 0.166 38.697 38.487 0.073 0.000 0.980 355 N HN 0.546 nan 8.380 nan 0.000 0.430 356 D N 0.132 120.512 120.400 -0.035 0.000 2.265 356 D HA -0.159 4.481 4.640 -0.000 0.000 0.208 356 D C 0.824 177.042 176.300 -0.137 0.000 0.977 356 D CA 0.907 54.870 54.000 -0.063 0.000 0.871 356 D CB -0.217 40.548 40.800 -0.058 0.000 0.925 356 D HN 0.334 nan 8.370 nan 0.000 0.485 357 N N -0.874 117.668 118.700 -0.263 0.000 2.314 357 N HA 0.002 4.742 4.740 -0.000 0.000 0.200 357 N C -1.049 173.898 175.510 -0.938 0.000 1.135 357 N CA -0.016 52.703 53.050 -0.551 0.000 0.835 357 N CB 0.164 38.266 38.487 -0.642 0.000 0.989 357 N HN -0.121 nan 8.380 nan 0.000 0.478 358 F N -0.032 119.861 119.950 -0.095 0.000 2.561 358 F HA 0.451 4.978 4.527 -0.000 0.000 0.313 358 F C -0.311 175.469 175.800 -0.033 0.000 1.126 358 F CA -0.996 56.975 58.000 -0.048 0.000 0.918 358 F CB 1.896 40.861 39.000 -0.059 0.000 1.199 358 F HN -0.338 nan 8.300 nan 0.000 0.444 359 K N 3.087 123.572 120.400 0.141 0.000 2.376 359 K HA 0.408 4.728 4.320 -0.000 0.000 0.257 359 K C -0.861 175.722 176.600 -0.028 0.000 0.939 359 K CA -0.941 55.340 56.287 -0.008 0.000 0.809 359 K CB 2.267 34.749 32.500 -0.030 0.000 1.121 359 K HN 0.490 nan 8.250 nan 0.000 0.425 360 E N 2.293 122.405 120.200 -0.146 0.000 2.204 360 E HA 0.312 4.661 4.350 -0.000 0.000 0.276 360 E C -0.938 175.516 176.600 -0.244 0.000 0.974 360 E CA -0.484 55.889 56.400 -0.045 0.000 0.815 360 E CB 1.367 31.070 29.700 0.005 0.000 1.119 360 E HN 0.375 nan 8.360 nan 0.000 0.393 361 Y N 0.254 120.589 120.300 0.059 0.000 2.545 361 Y HA 0.420 4.970 4.550 -0.000 0.000 0.348 361 Y C -0.010 175.880 175.900 -0.016 0.000 1.002 361 Y CA -0.815 57.317 58.100 0.053 0.000 1.039 361 Y CB 1.557 40.055 38.460 0.064 0.000 1.271 361 Y HN 0.251 nan 8.280 nan 0.000 0.467 362 L N 3.426 124.676 121.223 0.045 0.000 2.307 362 L HA 0.658 4.998 4.340 -0.000 0.000 0.284 362 L C -0.525 176.222 176.870 -0.204 0.000 1.023 362 L CA -0.837 53.878 54.840 -0.210 0.000 0.810 362 L CB 1.102 42.824 42.059 -0.562 0.000 1.231 362 L HN 0.476 nan 8.230 nan 0.000 0.423 363 R N 2.273 122.695 120.500 -0.131 0.000 2.574 363 R HA 0.418 4.758 4.340 -0.000 0.000 0.288 363 R C -1.414 174.893 176.300 0.011 0.000 1.004 363 R CA -0.737 55.332 56.100 -0.052 0.000 0.895 363 R CB 1.890 32.194 30.300 0.008 0.000 1.191 363 R HN 0.678 nan 8.270 nan 0.000 0.444 364 H N 0.096 119.112 119.070 -0.090 0.000 2.637 364 H HA 0.693 5.249 4.556 -0.000 0.000 0.363 364 H C -0.887 174.450 175.328 0.015 0.000 1.131 364 H CA -0.877 55.144 56.048 -0.045 0.000 1.183 364 H CB 2.243 31.965 29.762 -0.066 0.000 1.637 364 H HN 0.738 nan 8.280 nan 0.000 0.531 365 G N 3.257 112.114 108.800 0.095 0.000 2.666 365 G HA2 0.254 4.214 3.960 -0.000 0.000 0.303 365 G HA3 0.254 4.214 3.960 -0.000 0.000 0.303 365 G C -1.126 173.759 174.900 -0.025 0.000 1.412 365 G CA -0.508 44.590 45.100 -0.003 0.000 0.979 365 G HN 0.518 nan 8.290 nan 0.000 0.507 366 E N 0.330 120.523 120.200 -0.012 0.000 2.318 366 E HA 0.501 4.851 4.350 -0.000 0.000 0.265 366 E C -0.289 176.440 176.600 0.215 0.000 1.069 366 E CA -0.471 56.002 56.400 0.122 0.000 0.893 366 E CB 1.557 31.375 29.700 0.196 0.000 1.076 366 E HN 0.605 nan 8.360 nan 0.000 0.414 367 E N 2.541 122.893 120.200 0.254 0.000 2.361 367 E HA 0.204 4.554 4.350 -0.000 0.000 0.270 367 E C -1.352 175.402 176.600 0.257 0.000 0.911 367 E CA -0.429 56.102 56.400 0.218 0.000 0.818 367 E CB 0.391 30.159 29.700 0.112 0.000 1.332 367 E HN 0.330 nan 8.360 nan 0.000 0.402 368 Y N 1.616 121.857 120.300 -0.098 0.000 2.699 368 Y HA 0.641 5.191 4.550 -0.000 0.000 0.326 368 Y C -0.172 175.598 175.900 -0.217 0.000 1.141 368 Y CA -1.183 56.801 58.100 -0.194 0.000 1.246 368 Y CB 1.491 39.768 38.460 -0.305 0.000 1.426 368 Y HN 0.590 nan 8.280 nan 0.000 0.559 369 D N -0.188 120.177 120.400 -0.059 0.000 2.937 369 D HA 0.510 5.150 4.640 -0.000 0.000 0.215 369 D C -2.045 174.091 176.300 -0.273 0.000 1.274 369 D CA -0.253 53.659 54.000 -0.147 0.000 0.869 369 D CB 1.059 41.800 40.800 -0.098 0.000 1.675 369 D HN 0.442 nan 8.370 nan 0.000 0.538 370 L N 3.265 124.294 121.223 -0.323 0.000 2.381 370 L HA 0.531 4.871 4.340 -0.000 0.000 0.274 370 L C -0.396 176.113 176.870 -0.602 0.000 0.988 370 L CA -0.605 53.937 54.840 -0.497 0.000 0.824 370 L CB 1.836 43.664 42.059 -0.384 0.000 1.263 370 L HN 0.385 nan 8.230 nan 0.000 0.410 371 Q N 2.830 122.063 119.800 -0.946 0.000 2.413 371 Q HA 0.744 5.084 4.340 -0.000 0.000 0.276 371 Q C -1.600 173.574 176.000 -1.376 0.000 1.099 371 Q CA -0.699 54.583 55.803 -0.869 0.000 0.814 371 Q CB 3.256 31.714 28.738 -0.466 0.000 1.379 371 Q HN 0.360 nan 8.270 nan 0.000 0.436 372 F N 0.146 119.727 119.950 -0.614 0.000 2.711 372 F HA 0.615 5.142 4.527 -0.000 0.000 0.313 372 F C -0.876 174.398 175.800 -0.877 0.000 1.141 372 F CA -0.788 56.766 58.000 -0.745 0.000 0.941 372 F CB 1.634 40.151 39.000 -0.804 0.000 1.349 372 F HN 0.296 nan 8.300 nan 0.000 0.464 373 I N 1.706 121.835 120.570 -0.735 0.000 2.611 373 I HA 0.361 4.531 4.170 -0.000 0.000 0.287 373 I C -1.604 174.103 176.117 -0.684 0.000 1.184 373 I CA -0.154 60.791 61.300 -0.591 0.000 1.054 373 I CB 1.668 39.439 38.000 -0.381 0.000 1.257 373 I HN 0.332 nan 8.210 nan 0.000 0.435 374 F N 3.853 123.612 119.950 -0.319 0.000 2.556 374 F HA 0.616 5.143 4.527 -0.000 0.000 0.327 374 F C 0.046 175.830 175.800 -0.026 0.000 1.059 374 F CA -0.678 57.199 58.000 -0.205 0.000 0.953 374 F CB 1.553 40.292 39.000 -0.434 0.000 1.227 374 F HN 0.292 nan 8.300 nan 0.000 0.478 375 Q N 1.881 121.859 119.800 0.296 0.000 2.337 375 Q HA 0.460 4.800 4.340 -0.000 0.000 0.270 375 Q C -1.528 174.539 176.000 0.111 0.000 1.043 375 Q CA -1.197 54.583 55.803 -0.038 0.000 0.794 375 Q CB 2.456 30.995 28.738 -0.331 0.000 1.281 375 Q HN 0.752 nan 8.270 nan 0.000 0.446 376 L N 3.582 124.783 121.223 -0.035 0.000 2.455 376 L HA 0.245 4.585 4.340 -0.000 0.000 0.272 376 L C -1.385 175.298 176.870 -0.313 0.000 1.174 376 L CA 0.564 55.195 54.840 -0.349 0.000 0.869 376 L CB 0.419 42.124 42.059 -0.590 0.000 1.130 376 L HN 0.747 nan 8.230 nan 0.000 0.474 377 C N 4.597 123.693 119.300 -0.339 0.000 2.626 377 C HA 0.625 5.085 4.460 -0.000 0.000 0.310 377 C C -0.537 174.307 174.990 -0.243 0.000 1.191 377 C CA -1.163 57.717 59.018 -0.232 0.000 1.517 377 C CB 1.742 29.390 27.740 -0.153 0.000 2.102 377 C HN 0.877 nan 8.230 nan 0.000 0.479 378 K N 1.900 122.205 120.400 -0.158 0.000 2.323 378 K HA 0.827 5.147 4.320 -0.000 0.000 0.259 378 K C -1.487 175.115 176.600 0.004 0.000 0.947 378 K CA -0.281 55.930 56.287 -0.127 0.000 0.819 378 K CB 0.925 33.358 32.500 -0.113 0.000 1.109 378 K HN 0.688 nan 8.250 nan 0.000 0.429 379 I N 2.837 123.432 120.570 0.042 0.000 2.339 379 I HA 0.159 4.329 4.170 -0.000 0.000 0.290 379 I C -0.395 175.813 176.117 0.152 0.000 0.994 379 I CA -0.822 60.587 61.300 0.183 0.000 1.191 379 I CB 2.109 40.322 38.000 0.355 0.000 1.343 379 I HN 0.635 nan 8.210 nan 0.000 0.458 380 T N 7.294 121.946 114.554 0.163 0.000 2.728 380 T HA 0.359 4.708 4.350 -0.000 0.000 0.296 380 T C 0.262 175.049 174.700 0.145 0.000 0.940 380 T CA -0.376 61.803 62.100 0.132 0.000 1.013 380 T CB 0.398 69.332 68.868 0.111 0.000 0.912 380 T HN 0.323 nan 8.240 nan 0.000 0.484 381 L N 5.393 126.695 121.223 0.131 0.000 2.462 381 L HA 0.199 4.539 4.340 -0.000 0.000 0.283 381 L C 1.362 178.291 176.870 0.099 0.000 1.166 381 L CA -0.321 54.602 54.840 0.139 0.000 0.964 381 L CB -0.618 41.526 42.059 0.143 0.000 1.294 381 L HN 0.796 nan 8.230 nan 0.000 0.449 382 T N -1.497 113.113 114.554 0.093 0.000 2.876 382 T HA 0.558 4.908 4.350 -0.000 0.000 0.277 382 T C 1.223 175.957 174.700 0.056 0.000 0.997 382 T CA -0.115 62.025 62.100 0.067 0.000 0.966 382 T CB 1.524 70.430 68.868 0.063 0.000 1.312 382 T HN 0.289 nan 8.240 nan 0.000 0.598 383 A N 0.717 123.561 122.820 0.041 0.000 1.845 383 A HA -0.084 4.236 4.320 -0.000 0.000 0.215 383 A C 2.006 179.609 177.584 0.032 0.000 1.195 383 A CA 1.863 53.919 52.037 0.030 0.000 0.616 383 A CB -1.298 17.715 19.000 0.022 0.000 0.832 383 A HN 0.926 nan 8.150 nan 0.000 0.443 384 D N -0.072 120.348 120.400 0.034 0.000 2.077 384 D HA -0.122 4.518 4.640 -0.000 0.000 0.193 384 D C 2.179 178.505 176.300 0.044 0.000 0.989 384 D CA 1.850 55.871 54.000 0.034 0.000 0.831 384 D CB -0.603 40.212 40.800 0.025 0.000 0.979 384 D HN 0.211 nan 8.370 nan 0.000 0.449 385 V N 1.978 121.916 119.914 0.040 0.000 2.231 385 V HA -0.335 3.784 4.120 -0.000 0.000 0.250 385 V C 2.723 178.839 176.094 0.036 0.000 1.058 385 V CA 1.871 64.187 62.300 0.027 0.000 1.022 385 V CB -0.663 31.207 31.823 0.079 0.000 0.640 385 V HN 0.212 nan 8.190 nan 0.000 0.445 386 M N -0.093 119.540 119.600 0.055 0.000 2.089 386 M HA -0.234 4.246 4.480 -0.000 0.000 0.257 386 M C 2.258 178.577 176.300 0.033 0.000 1.071 386 M CA 2.608 57.935 55.300 0.045 0.000 1.096 386 M CB -0.956 31.679 32.600 0.059 0.000 1.330 386 M HN 0.543 nan 8.290 nan 0.000 0.403 387 T N -0.742 113.831 114.554 0.032 0.000 2.746 387 T HA -0.212 4.138 4.350 -0.000 0.000 0.267 387 T C 1.514 176.241 174.700 0.045 0.000 1.039 387 T CA 1.438 63.553 62.100 0.025 0.000 1.142 387 T CB -0.631 68.246 68.868 0.016 0.000 0.866 387 T HN 0.387 nan 8.240 nan 0.000 0.444 388 Y N 1.919 122.176 120.300 -0.072 0.000 2.128 388 Y HA -0.104 4.445 4.550 -0.000 0.000 0.284 388 Y C 2.035 177.837 175.900 -0.164 0.000 1.154 388 Y CA 0.827 58.864 58.100 -0.104 0.000 1.149 388 Y CB -0.568 37.790 38.460 -0.171 0.000 0.976 388 Y HN 0.172 nan 8.280 nan 0.000 0.505 389 I N -0.788 119.642 120.570 -0.233 0.000 2.286 389 I HA -0.340 3.830 4.170 -0.000 0.000 0.248 389 I C 2.548 178.416 176.117 -0.416 0.000 1.115 389 I CA 1.589 62.630 61.300 -0.431 0.000 1.392 389 I CB -0.707 37.073 38.000 -0.368 0.000 1.065 389 I HN 0.358 nan 8.210 nan 0.000 0.418 390 H N 1.043 119.932 119.070 -0.300 0.000 2.352 390 H HA -0.132 4.424 4.556 -0.000 0.000 0.299 390 H C 2.299 177.471 175.328 -0.261 0.000 1.097 390 H CA 2.021 57.919 56.048 -0.250 0.000 1.311 390 H CB 0.338 30.007 29.762 -0.155 0.000 1.377 390 H HN 0.252 nan 8.280 nan 0.000 0.504 391 S N 0.455 116.091 115.700 -0.107 0.000 2.406 391 S HA -0.065 4.405 4.470 -0.000 0.000 0.224 391 S C 2.259 176.716 174.600 -0.239 0.000 1.030 391 S CA 0.683 58.836 58.200 -0.079 0.000 0.958 391 S CB 0.038 63.220 63.200 -0.030 0.000 0.811 391 S HN 0.401 nan 8.310 nan 0.000 0.489 392 M N 1.675 120.991 119.600 -0.472 0.000 2.315 392 M HA -0.091 4.389 4.480 -0.000 0.000 0.264 392 M C 0.384 176.288 176.300 -0.660 0.000 1.075 392 M CA 1.652 56.444 55.300 -0.847 0.000 1.093 392 M CB -0.139 31.726 32.600 -1.226 0.000 1.251 392 M HN 0.243 nan 8.290 nan 0.000 0.449 393 N N -0.566 117.751 118.700 -0.638 0.000 2.533 393 N HA 0.271 5.011 4.740 -0.000 0.000 0.289 393 N C -2.350 172.831 175.510 -0.549 0.000 1.103 393 N CA -1.486 51.247 53.050 -0.528 0.000 0.877 393 N CB 1.949 40.112 38.487 -0.540 0.000 1.419 393 N HN 0.061 nan 8.380 nan 0.000 0.517 394 P HA -0.103 nan 4.420 nan 0.000 0.217 394 P C 1.003 178.038 177.300 -0.442 0.000 1.151 394 P CA 1.036 63.765 63.100 -0.619 0.000 0.828 394 P CB 0.308 31.608 31.700 -0.668 0.000 0.788 395 S N 1.202 116.692 115.700 -0.350 0.000 2.389 395 S HA -0.204 4.266 4.470 -0.000 0.000 0.231 395 S C 2.097 176.452 174.600 -0.408 0.000 1.052 395 S CA 1.521 59.545 58.200 -0.295 0.000 1.053 395 S CB -1.378 61.701 63.200 -0.203 0.000 0.886 395 S HN 0.171 nan 8.310 nan 0.000 0.456 396 I N 1.197 121.440 120.570 -0.546 0.000 2.145 396 I HA -0.247 3.922 4.170 -0.000 0.000 0.244 396 I C 2.299 177.736 176.117 -1.133 0.000 1.075 396 I CA 1.514 62.307 61.300 -0.843 0.000 1.332 396 I CB -0.609 36.802 38.000 -0.983 0.000 1.033 396 I HN 0.254 nan 8.210 nan 0.000 0.410 397 L N 0.254 121.032 121.223 -0.742 0.000 2.044 397 L HA -0.153 4.187 4.340 -0.000 0.000 0.205 397 L C 2.585 179.337 176.870 -0.196 0.000 1.075 397 L CA 1.245 55.828 54.840 -0.428 0.000 0.747 397 L CB -0.502 41.433 42.059 -0.207 0.000 0.903 397 L HN 0.205 nan 8.230 nan 0.000 0.435 398 E N 0.181 120.262 120.200 -0.198 0.000 2.049 398 E HA -0.260 4.090 4.350 -0.000 0.000 0.198 398 E C 1.521 178.086 176.600 -0.059 0.000 1.007 398 E CA 1.592 57.932 56.400 -0.100 0.000 0.809 398 E CB -0.164 29.469 29.700 -0.111 0.000 0.749 398 E HN 0.440 nan 8.360 nan 0.000 0.450 399 D N -0.469 119.864 120.400 -0.111 0.000 2.378 399 D HA -0.118 4.522 4.640 -0.000 0.000 0.222 399 D C 0.461 176.842 176.300 0.135 0.000 0.980 399 D CA 0.503 54.494 54.000 -0.016 0.000 0.907 399 D CB -0.108 40.664 40.800 -0.046 0.000 0.899 399 D HN 0.309 nan 8.370 nan 0.000 0.527 400 W N 2.400 123.707 121.300 0.013 0.000 3.387 400 W HA 0.132 4.792 4.660 -0.000 0.000 0.403 400 W C 0.222 176.755 176.519 0.022 0.000 1.073 400 W CA -0.448 56.913 57.345 0.026 0.000 1.866 400 W CB -1.355 28.128 29.460 0.038 0.000 0.981 400 W HN 0.044 nan 8.180 nan 0.000 0.802 441 L N 1.350 122.615 121.223 0.069 0.000 3.209 441 L HA 0.413 4.753 4.340 -0.000 0.000 0.279 441 L C 1.707 178.546 176.870 -0.052 0.000 1.301 441 L CA -0.265 54.642 54.840 0.111 0.000 1.004 441 L CB 1.043 43.315 42.059 0.354 0.000 1.402 441 L HN 0.028 nan 8.230 nan 0.000 0.577 442 K N 0.726 121.059 120.400 -0.113 0.000 2.283 442 K HA -0.066 4.254 4.320 -0.000 0.000 0.202 442 K C 0.878 177.343 176.600 -0.225 0.000 1.048 442 K CA 1.025 57.234 56.287 -0.130 0.000 0.948 442 K CB 0.298 32.741 32.500 -0.095 0.000 0.742 442 K HN 0.448 nan 8.250 nan 0.000 0.458 443 N N -0.189 118.267 118.700 -0.407 0.000 2.336 443 N HA -0.013 4.727 4.740 -0.000 0.000 0.189 443 N C -0.694 174.544 175.510 -0.454 0.000 1.113 443 N CA 0.302 53.077 53.050 -0.459 0.000 0.858 443 N CB 0.372 38.538 38.487 -0.536 0.000 0.970 443 N HN 0.180 nan 8.380 nan 0.000 0.471 444 Y N 0.656 120.801 120.300 -0.259 0.000 2.341 444 Y HA 0.219 4.769 4.550 -0.000 0.000 0.338 444 Y C 0.352 175.843 175.900 -0.682 0.000 0.965 444 Y CA -1.219 56.608 58.100 -0.455 0.000 1.108 444 Y CB 1.370 39.496 38.460 -0.556 0.000 1.180 444 Y HN -0.162 nan 8.280 nan 0.000 0.458 445 T N 1.591 115.937 114.554 -0.346 0.000 2.738 445 T HA 0.545 4.895 4.350 -0.000 0.000 0.298 445 T C -0.644 173.907 174.700 -0.248 0.000 0.962 445 T CA -0.497 61.420 62.100 -0.305 0.000 0.972 445 T CB -0.233 68.567 68.868 -0.113 0.000 0.928 445 T HN 0.343 nan 8.240 nan 0.000 0.474 446 F N 0.834 120.846 119.950 0.103 0.000 2.541 446 F HA 0.516 5.043 4.527 -0.000 0.000 0.331 446 F C 0.441 176.311 175.800 0.117 0.000 1.057 446 F CA -1.822 56.239 58.000 0.100 0.000 0.975 446 F CB 1.172 40.245 39.000 0.122 0.000 1.246 446 F HN 0.502 nan 8.300 nan 0.000 0.484 447 W N 3.420 124.804 121.300 0.141 0.000 2.388 447 W HA 0.180 4.840 4.660 -0.000 0.000 0.308 447 W C -0.597 176.027 176.519 0.175 0.000 1.263 447 W CA -0.553 56.844 57.345 0.088 0.000 1.286 447 W CB 0.483 29.913 29.460 -0.049 0.000 1.294 447 W HN 0.513 nan 8.180 nan 0.000 0.493 448 E N 4.289 124.739 120.200 0.417 0.000 2.289 448 E HA 0.227 4.577 4.350 -0.000 0.000 0.278 448 E C -0.789 176.031 176.600 0.366 0.000 1.032 448 E CA -0.394 56.186 56.400 0.301 0.000 0.854 448 E CB 2.320 32.113 29.700 0.156 0.000 1.046 448 E HN 0.134 nan 8.360 nan 0.000 0.409 449 V N 3.335 123.388 119.914 0.232 0.000 2.483 449 V HA 0.095 4.214 4.120 -0.000 0.000 0.297 449 V C -0.415 175.713 176.094 0.057 0.000 1.027 449 V CA -0.815 61.586 62.300 0.169 0.000 0.855 449 V CB 1.950 33.817 31.823 0.072 0.000 0.995 449 V HN 0.519 nan 8.190 nan 0.000 0.424 450 D N 5.269 125.701 120.400 0.053 0.000 2.412 450 D HA 0.325 4.965 4.640 -0.000 0.000 0.224 450 D C 0.198 176.497 176.300 -0.001 0.000 1.093 450 D CA -0.224 53.779 54.000 0.005 0.000 0.850 450 D CB 1.370 42.178 40.800 0.014 0.000 1.046 450 D HN 0.465 nan 8.370 nan 0.000 0.507 451 L N 3.879 125.078 121.223 -0.039 0.000 2.912 451 L HA 0.226 4.566 4.340 -0.000 0.000 0.240 451 L C 1.819 178.646 176.870 -0.073 0.000 1.262 451 L CA -0.218 54.630 54.840 0.014 0.000 1.058 451 L CB 0.150 42.270 42.059 0.101 0.000 1.383 451 L HN 0.137 nan 8.230 nan 0.000 0.512 452 K N 0.355 120.671 120.400 -0.140 0.000 2.062 452 K HA -0.125 4.194 4.320 -0.000 0.000 0.205 452 K C 1.470 177.969 176.600 -0.169 0.000 1.051 452 K CA 0.933 57.050 56.287 -0.283 0.000 0.941 452 K CB 0.175 32.558 32.500 -0.195 0.000 0.719 452 K HN 0.016 nan 8.250 nan 0.000 0.440 453 E N 0.833 121.025 120.200 -0.014 0.000 2.485 453 E HA -0.029 4.321 4.350 -0.000 0.000 0.194 453 E C 0.061 176.756 176.600 0.159 0.000 1.098 453 E CA 0.508 56.958 56.400 0.084 0.000 0.878 453 E CB 0.273 30.022 29.700 0.081 0.000 0.939 453 E HN -0.010 nan 8.360 nan 0.000 0.503 454 K N 0.102 120.614 120.400 0.187 0.000 2.514 454 K HA 0.151 4.471 4.320 -0.000 0.000 0.207 454 K C -0.684 176.166 176.600 0.417 0.000 1.035 454 K CA -0.200 56.247 56.287 0.267 0.000 1.113 454 K CB 0.242 32.865 32.500 0.206 0.000 0.846 454 K HN -0.008 nan 8.250 nan 0.000 0.491 455 F N 0.489 120.514 119.950 0.126 0.000 2.436 455 F HA 0.374 4.901 4.527 -0.000 0.000 0.340 455 F C 0.676 176.706 175.800 0.384 0.000 1.113 455 F CA -1.178 56.933 58.000 0.186 0.000 1.022 455 F CB 1.795 40.876 39.000 0.135 0.000 1.128 455 F HN -0.240 nan 8.300 nan 0.000 0.466 456 S N 1.237 117.210 115.700 0.456 0.000 2.599 456 S HA 0.798 5.268 4.470 -0.000 0.000 0.287 456 S C 0.149 174.815 174.600 0.110 0.000 1.105 456 S CA 0.005 58.425 58.200 0.366 0.000 0.899 456 S CB 1.702 65.159 63.200 0.429 0.000 1.100 456 S HN 0.710 nan 8.310 nan 0.000 0.482 457 A N 1.507 124.303 122.820 -0.040 0.000 2.288 457 A HA 0.320 4.640 4.320 -0.000 0.000 0.216 457 A C -0.088 177.459 177.584 -0.061 0.000 1.199 457 A CA -0.046 51.777 52.037 -0.356 0.000 0.891 457 A CB 0.045 18.805 19.000 -0.399 0.000 0.923 457 A HN 0.773 nan 8.150 nan 0.000 0.500 458 D N 1.525 121.979 120.400 0.089 0.000 2.517 458 D HA 0.239 4.879 4.640 -0.000 0.000 0.220 458 D C 1.026 177.458 176.300 0.219 0.000 1.158 458 D CA -0.140 53.934 54.000 0.122 0.000 0.992 458 D CB 0.819 41.680 40.800 0.103 0.000 1.058 458 D HN 0.305 nan 8.370 nan 0.000 0.516 459 L N 0.528 121.847 121.223 0.160 0.000 2.127 459 L HA -0.191 4.149 4.340 -0.000 0.000 0.211 459 L C 2.120 179.120 176.870 0.217 0.000 1.089 459 L CA 0.952 55.913 54.840 0.202 0.000 0.757 459 L CB -0.274 41.867 42.059 0.135 0.000 0.899 459 L HN 0.218 nan 8.230 nan 0.000 0.434 460 D N 0.295 120.767 120.400 0.120 0.000 2.221 460 D HA -0.208 4.432 4.640 -0.000 0.000 0.204 460 D C 1.940 178.231 176.300 -0.014 0.000 0.982 460 D CA 1.122 55.154 54.000 0.055 0.000 0.857 460 D CB 0.083 40.895 40.800 0.020 0.000 0.934 460 D HN 0.302 nan 8.370 nan 0.000 0.475 461 Q N -0.732 119.005 119.800 -0.104 0.000 2.466 461 Q HA 0.052 4.392 4.340 -0.000 0.000 0.210 461 Q C -0.406 175.162 176.000 -0.720 0.000 0.961 461 Q CA 0.342 55.838 55.803 -0.512 0.000 0.953 461 Q CB -0.010 28.231 28.738 -0.828 0.000 1.011 461 Q HN 0.332 nan 8.270 nan 0.000 0.516 462 F N 0.026 119.863 119.950 -0.187 0.000 2.581 462 F HA 0.276 4.803 4.527 -0.000 0.000 0.311 462 F C -1.618 174.112 175.800 -0.117 0.000 1.113 462 F CA -2.489 55.363 58.000 -0.245 0.000 0.935 462 F CB 1.452 40.067 39.000 -0.642 0.000 1.232 462 F HN -0.273 nan 8.300 nan 0.000 0.445 463 P HA -0.242 nan 4.420 nan 0.000 0.218 463 P C 1.666 179.031 177.300 0.107 0.000 1.154 463 P CA 1.643 64.787 63.100 0.074 0.000 0.872 463 P CB 0.796 32.521 31.700 0.041 0.000 0.790 464 L N -0.888 120.414 121.223 0.131 0.000 2.131 464 L HA 0.014 4.354 4.340 -0.000 0.000 0.206 464 L C 2.599 179.639 176.870 0.283 0.000 1.087 464 L CA 1.806 56.738 54.840 0.153 0.000 0.767 464 L CB -1.064 41.052 42.059 0.095 0.000 0.917 464 L HN 0.025 nan 8.230 nan 0.000 0.441 465 G N -0.875 108.085 108.800 0.267 0.000 2.421 465 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.217 465 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.217 465 G C 1.683 176.737 174.900 0.257 0.000 1.143 465 G CA 0.160 45.431 45.100 0.284 0.000 0.784 465 G HN 0.240 nan 8.290 nan 0.000 0.541 466 R N 0.380 120.990 120.500 0.184 0.000 2.066 466 R HA -0.003 4.336 4.340 -0.000 0.000 0.232 466 R C 2.640 179.011 176.300 0.119 0.000 1.131 466 R CA 1.411 57.583 56.100 0.120 0.000 0.955 466 R CB -0.159 30.185 30.300 0.074 0.000 0.851 466 R HN 0.271 nan 8.270 nan 0.000 0.432 467 K N -0.281 120.220 120.400 0.168 0.000 2.044 467 K HA -0.226 4.093 4.320 -0.000 0.000 0.210 467 K C 1.921 178.629 176.600 0.180 0.000 1.049 467 K CA 1.834 58.248 56.287 0.211 0.000 0.927 467 K CB -0.428 32.263 32.500 0.317 0.000 0.713 467 K HN 0.119 nan 8.250 nan 0.000 0.443 468 F N 2.032 122.075 119.950 0.156 0.000 2.065 468 F HA -0.240 4.287 4.527 -0.000 0.000 0.298 468 F C 1.883 177.490 175.800 -0.322 0.000 1.112 468 F CA 1.535 59.408 58.000 -0.212 0.000 1.212 468 F CB -0.336 38.639 39.000 -0.041 0.000 0.975 468 F HN -0.103 nan 8.300 nan 0.000 0.476 469 L N -0.663 120.485 121.223 -0.124 0.000 2.083 469 L HA -0.197 4.143 4.340 -0.000 0.000 0.209 469 L C 2.305 179.006 176.870 -0.282 0.000 1.083 469 L CA 0.522 55.248 54.840 -0.191 0.000 0.752 469 L CB -0.769 41.304 42.059 0.022 0.000 0.899 469 L HN 0.292 nan 8.230 nan 0.000 0.433 470 L N -0.405 120.696 121.223 -0.204 0.000 1.938 470 L HA -0.229 4.110 4.340 -0.000 0.000 0.212 470 L C 2.596 179.307 176.870 -0.265 0.000 1.085 470 L CA 1.782 56.515 54.840 -0.179 0.000 0.760 470 L CB -1.180 40.825 42.059 -0.090 0.000 0.888 470 L HN 0.283 nan 8.230 nan 0.000 0.433 471 Q N -0.049 119.575 119.800 -0.293 0.000 2.084 471 Q HA -0.325 4.015 4.340 -0.000 0.000 0.215 471 Q C 1.914 177.551 176.000 -0.605 0.000 1.020 471 Q CA 2.990 58.529 55.803 -0.439 0.000 0.887 471 Q CB -0.638 27.731 28.738 -0.615 0.000 0.975 471 Q HN 0.662 nan 8.270 nan 0.000 0.413 472 A N -0.749 121.540 122.820 -0.886 0.000 2.125 472 A HA 0.146 4.466 4.320 -0.000 0.000 0.219 472 A C 1.508 178.803 177.584 -0.481 0.000 1.156 472 A CA 2.123 53.651 52.037 -0.848 0.000 0.671 472 A CB -0.613 17.582 19.000 -1.341 0.000 0.794 472 A HN 0.821 nan 8.150 nan 0.000 0.459 473 G N -0.737 107.834 108.800 -0.381 0.000 3.076 473 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.256 473 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.256 473 G C 0.363 175.142 174.900 -0.201 0.000 1.589 473 G CA 0.019 44.977 45.100 -0.236 0.000 1.044 473 G HN 1.300 nan 8.290 nan 0.000 0.563 474 L N 0.000 121.126 121.223 -0.162 0.000 2.949 474 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 474 L CA 0.000 54.773 54.840 -0.111 0.000 0.813 474 L CB 0.000 42.018 42.059 -0.068 0.000 0.961 474 L HN 0.000 nan 8.230 nan 0.000 0.502