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_N 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 0.000 177.624 177.584 0.066 0.000 1.274 20 A CA 0.000 52.043 52.037 0.010 0.000 0.836 20 A CB 0.000 19.003 19.000 0.005 0.000 0.831 21 V N 2.054 121.921 119.914 -0.077 0.000 2.637 21 V HA 0.437 4.557 4.120 -0.000 0.000 0.296 21 V C 0.175 176.191 176.094 -0.130 0.000 1.046 21 V CA 0.086 62.287 62.300 -0.166 0.000 1.066 21 V CB 1.167 32.617 31.823 -0.622 0.000 0.968 21 V HN 0.767 nan 8.190 nan 0.000 0.483 22 V N 3.687 123.659 119.914 0.097 0.000 2.789 22 V HA 0.401 4.521 4.120 -0.000 0.000 0.311 22 V C 0.214 176.555 176.094 0.412 0.000 1.073 22 V CA -0.677 61.717 62.300 0.157 0.000 0.921 22 V CB 2.152 33.969 31.823 -0.009 0.000 1.009 22 V HN 0.921 nan 8.190 nan 0.000 0.426 23 S N 2.087 118.061 115.700 0.457 0.000 2.554 23 S HA -0.036 4.434 4.470 -0.000 0.000 0.290 23 S C 1.594 176.339 174.600 0.242 0.000 1.309 23 S CA 0.561 58.986 58.200 0.374 0.000 1.047 23 S CB 0.823 64.154 63.200 0.219 0.000 0.828 23 S HN 1.241 nan 8.310 nan 0.000 0.509 24 T N 0.919 115.528 114.554 0.091 0.000 3.051 24 T HA -0.043 4.306 4.350 -0.000 0.000 0.269 24 T C 0.849 175.348 174.700 -0.334 0.000 1.127 24 T CA 1.099 62.958 62.100 -0.401 0.000 1.107 24 T CB -0.374 68.346 68.868 -0.246 0.000 0.898 24 T HN 0.660 nan 8.240 nan 0.000 0.517 25 D N 1.596 121.947 120.400 -0.080 0.000 2.310 25 D HA -0.048 4.592 4.640 -0.000 0.000 0.212 25 D C 1.977 178.276 176.300 -0.002 0.000 0.965 25 D CA 0.591 54.568 54.000 -0.039 0.000 0.879 25 D CB -0.136 40.671 40.800 0.013 0.000 0.921 25 D HN 0.459 nan 8.370 nan 0.000 0.510 26 E N -0.055 120.179 120.200 0.056 0.000 2.418 26 E HA -0.101 4.249 4.350 -0.000 0.000 0.197 26 E C 0.689 177.446 176.600 0.261 0.000 1.026 26 E CA 0.431 56.929 56.400 0.163 0.000 0.862 26 E CB -0.003 29.822 29.700 0.208 0.000 0.799 26 E HN 0.652 nan 8.360 nan 0.000 0.518 27 Y N -3.780 116.578 120.300 0.096 0.000 2.926 27 Y HA 0.452 5.002 4.550 -0.000 0.000 0.258 27 Y C -0.372 175.619 175.900 0.152 0.000 1.110 27 Y CA -0.573 57.596 58.100 0.116 0.000 1.224 27 Y CB 0.206 38.748 38.460 0.138 0.000 1.276 27 Y HN -0.262 nan 8.280 nan 0.000 0.595 28 V N 1.751 121.675 119.914 0.016 0.000 2.555 28 V HA 0.288 4.408 4.120 -0.000 0.000 0.283 28 V C -0.121 175.959 176.094 -0.022 0.000 1.020 28 V CA -0.469 61.823 62.300 -0.014 0.000 0.883 28 V CB 1.551 33.286 31.823 -0.147 0.000 1.030 28 V HN 0.407 nan 8.190 nan 0.000 0.448 29 T N 5.492 120.052 114.554 0.010 0.000 2.913 29 T HA 0.421 4.771 4.350 -0.000 0.000 0.297 29 T C 0.293 174.969 174.700 -0.041 0.000 1.029 29 T CA -0.335 61.762 62.100 -0.005 0.000 1.104 29 T CB 0.662 69.540 68.868 0.016 0.000 0.964 29 T HN 0.410 nan 8.240 nan 0.000 0.532 30 R N 1.286 121.764 120.500 -0.036 0.000 2.674 30 R HA 0.665 5.005 4.340 -0.000 0.000 0.266 30 R C 0.452 176.730 176.300 -0.036 0.000 1.016 30 R CA -0.545 55.523 56.100 -0.053 0.000 1.062 30 R CB 1.511 31.795 30.300 -0.028 0.000 1.142 30 R HN 0.877 nan 8.270 nan 0.000 0.517 31 T N -3.093 111.427 114.554 -0.057 0.000 2.831 31 T HA 0.286 4.636 4.350 -0.000 0.000 0.287 31 T C 0.157 174.881 174.700 0.040 0.000 1.070 31 T CA -0.819 61.282 62.100 0.001 0.000 1.010 31 T CB 1.343 70.199 68.868 -0.020 0.000 1.264 31 T HN 0.547 nan 8.240 nan 0.000 0.532 32 N N 0.029 118.815 118.700 0.142 0.000 2.451 32 N HA 0.272 5.012 4.740 -0.000 0.000 0.264 32 N C -0.828 174.896 175.510 0.357 0.000 1.167 32 N CA -0.252 52.969 53.050 0.285 0.000 0.898 32 N CB 0.018 38.646 38.487 0.235 0.000 1.176 32 N HN 0.393 nan 8.380 nan 0.000 0.507 33 I N 1.828 122.514 120.570 0.193 0.000 2.382 33 I HA 0.292 4.462 4.170 -0.000 0.000 0.286 33 I C -0.789 175.517 176.117 0.316 0.000 1.002 33 I CA -0.636 60.844 61.300 0.301 0.000 1.135 33 I CB 0.218 38.332 38.000 0.191 0.000 1.288 33 I HN -0.003 nan 8.210 nan 0.000 0.448 34 Y N 5.850 126.350 120.300 0.333 0.000 2.499 34 Y HA 0.647 5.197 4.550 -0.000 0.000 0.347 34 Y C -0.653 175.452 175.900 0.341 0.000 0.987 34 Y CA -0.814 57.440 58.100 0.257 0.000 1.044 34 Y CB 1.997 40.436 38.460 -0.036 0.000 1.245 34 Y HN 0.318 nan 8.280 nan 0.000 0.461 35 Y N 0.446 120.771 120.300 0.043 0.000 2.553 35 Y HA 0.325 4.875 4.550 -0.000 0.000 0.347 35 Y C -0.230 175.467 175.900 -0.338 0.000 1.019 35 Y CA -1.415 56.615 58.100 -0.116 0.000 1.032 35 Y CB 1.645 39.983 38.460 -0.204 0.000 1.284 35 Y HN 0.621 nan 8.280 nan 0.000 0.466 36 H N 1.373 120.228 119.070 -0.358 0.000 2.544 36 H HA 0.889 5.445 4.556 -0.000 0.000 0.342 36 H C -1.523 173.405 175.328 -0.667 0.000 1.185 36 H CA -0.507 55.195 56.048 -0.577 0.000 1.264 36 H CB 1.793 30.978 29.762 -0.962 0.000 1.607 36 H HN 0.798 nan 8.280 nan 0.000 0.550 37 A N 2.125 124.211 122.820 -1.223 0.000 2.480 37 A HA 0.533 4.853 4.320 -0.000 0.000 0.289 37 A C -0.918 176.391 177.584 -0.458 0.000 1.044 37 A CA 0.004 51.646 52.037 -0.660 0.000 0.761 37 A CB 1.150 19.845 19.000 -0.508 0.000 1.289 37 A HN 0.841 nan 8.150 nan 0.000 0.401 38 G N 0.980 109.686 108.800 -0.157 0.000 2.638 38 G HA2 0.645 4.605 3.960 -0.000 0.000 0.302 38 G HA3 0.645 4.605 3.960 -0.000 0.000 0.302 38 G C -0.286 174.622 174.900 0.014 0.000 1.365 38 G CA 0.022 45.072 45.100 -0.083 0.000 0.987 38 G HN 1.368 nan 8.290 nan 0.000 0.495 39 S N 0.363 116.044 115.700 -0.033 0.000 2.616 39 S HA 0.690 5.160 4.470 -0.000 0.000 0.277 39 S C 0.879 175.482 174.600 0.005 0.000 1.234 39 S CA -0.213 57.989 58.200 0.003 0.000 1.028 39 S CB 1.470 64.635 63.200 -0.058 0.000 0.988 39 S HN 1.353 nan 8.310 nan 0.000 0.522 40 S N 1.281 117.008 115.700 0.045 0.000 2.617 40 S HA 0.251 4.721 4.470 -0.000 0.000 0.259 40 S C 0.310 174.931 174.600 0.035 0.000 1.301 40 S CA -0.909 57.322 58.200 0.051 0.000 0.984 40 S CB 0.055 63.300 63.200 0.075 0.000 0.954 40 S HN 0.881 nan 8.310 nan 0.000 0.572 41 R N 0.215 120.740 120.500 0.042 0.000 2.494 41 R HA 0.073 4.413 4.340 -0.000 0.000 0.291 41 R C -0.884 175.479 176.300 0.104 0.000 0.953 41 R CA 0.181 56.309 56.100 0.047 0.000 1.098 41 R CB -0.541 29.789 30.300 0.051 0.000 0.911 41 R HN 0.622 nan 8.270 nan 0.000 0.407 42 L N 6.781 128.074 121.223 0.116 0.000 2.282 42 L HA 0.408 4.748 4.340 -0.000 0.000 0.288 42 L C -0.323 176.770 176.870 0.371 0.000 1.033 42 L CA -0.633 54.369 54.840 0.270 0.000 0.807 42 L CB 1.208 43.300 42.059 0.054 0.000 1.209 42 L HN 0.556 nan 8.230 nan 0.000 0.423 43 L N 2.844 124.340 121.223 0.455 0.000 2.301 43 L HA 0.962 5.302 4.340 -0.000 0.000 0.264 43 L C -0.335 176.818 176.870 0.471 0.000 1.016 43 L CA -0.544 54.526 54.840 0.382 0.000 0.821 43 L CB 2.169 44.351 42.059 0.206 0.000 1.346 43 L HN 0.705 nan 8.230 nan 0.000 0.429 44 A N 1.045 124.074 122.820 0.348 0.000 2.513 44 A HA 0.779 5.099 4.320 -0.000 0.000 0.296 44 A C -1.686 175.980 177.584 0.135 0.000 1.052 44 A CA -0.432 51.734 52.037 0.214 0.000 0.714 44 A CB 1.651 20.828 19.000 0.297 0.000 1.279 44 A HN 0.308 nan 8.150 nan 0.000 0.397 45 V N 1.243 121.200 119.914 0.072 0.000 2.789 45 V HA 0.969 5.089 4.120 -0.000 0.000 0.311 45 V C 0.616 176.736 176.094 0.043 0.000 1.073 45 V CA 0.466 62.804 62.300 0.063 0.000 0.921 45 V CB 1.744 33.600 31.823 0.055 0.000 1.009 45 V HN 1.974 nan 8.190 nan 0.000 0.426 46 G N 1.536 110.366 108.800 0.050 0.000 2.348 46 G HA2 0.276 4.236 3.960 -0.000 0.000 0.296 46 G HA3 0.276 4.236 3.960 -0.000 0.000 0.296 46 G C -1.674 173.256 174.900 0.050 0.000 1.258 46 G CA -0.675 44.459 45.100 0.056 0.000 0.868 46 G HN 0.697 nan 8.290 nan 0.000 0.488 47 H N 2.291 121.347 119.070 -0.023 0.000 2.580 47 H HA 0.399 4.955 4.556 -0.000 0.000 0.322 47 H C -1.411 173.826 175.328 -0.152 0.000 1.082 47 H CA -1.491 54.490 56.048 -0.112 0.000 1.383 47 H CB 2.277 31.975 29.762 -0.106 0.000 1.450 47 H HN 0.194 nan 8.280 nan 0.000 0.505 48 P HA -0.059 nan 4.420 nan 0.000 0.237 48 P C 0.214 177.576 177.300 0.103 0.000 1.178 48 P CA 1.074 64.135 63.100 -0.064 0.000 0.766 48 P CB 0.199 31.772 31.700 -0.212 0.000 0.876 49 Y N -0.934 119.460 120.300 0.156 0.000 2.664 49 Y HA 0.176 4.726 4.550 -0.000 0.000 0.278 49 Y C 0.952 176.814 175.900 -0.064 0.000 1.130 49 Y CA -0.774 57.294 58.100 -0.054 0.000 1.260 49 Y CB 0.276 38.614 38.460 -0.203 0.000 1.369 49 Y HN -0.137 nan 8.280 nan 0.000 0.499 50 Y N -1.141 119.217 120.300 0.096 0.000 2.625 50 Y HA 0.839 5.389 4.550 -0.000 0.000 0.338 50 Y C -0.947 174.906 175.900 -0.079 0.000 1.123 50 Y CA -3.117 54.968 58.100 -0.025 0.000 1.046 50 Y CB 0.572 38.985 38.460 -0.078 0.000 1.299 50 Y HN -0.114 nan 8.280 nan 0.000 0.464 51 A N 1.807 124.778 122.820 0.252 0.000 2.301 51 A HA 0.689 5.009 4.320 -0.000 0.000 0.298 51 A C -0.956 176.715 177.584 0.146 0.000 1.185 51 A CA -0.578 51.551 52.037 0.154 0.000 0.830 51 A CB -0.295 18.758 19.000 0.090 0.000 1.112 51 A HN 0.617 nan 8.150 nan 0.000 0.508 52 I N 3.396 124.048 120.570 0.137 0.000 2.287 52 I HA 0.192 4.362 4.170 -0.000 0.000 0.290 52 I C 0.675 176.826 176.117 0.057 0.000 1.069 52 I CA -0.026 61.336 61.300 0.104 0.000 1.237 52 I CB 0.611 38.705 38.000 0.156 0.000 1.418 52 I HN 0.721 nan 8.210 nan 0.000 0.481 53 K N 4.272 124.686 120.400 0.024 0.000 2.148 53 K HA 0.544 4.864 4.320 -0.000 0.000 0.239 53 K C -0.028 176.578 176.600 0.010 0.000 1.018 53 K CA -1.234 55.060 56.287 0.013 0.000 0.923 53 K CB 0.697 33.197 32.500 -0.000 0.000 1.117 53 K HN 0.033 nan 8.250 nan 0.000 0.477 54 K N 0.994 121.398 120.400 0.006 0.000 2.561 54 K HA -0.140 4.180 4.320 -0.000 0.000 0.280 54 K C 0.915 177.515 176.600 0.001 0.000 0.975 54 K CA 0.660 56.950 56.287 0.005 0.000 1.024 54 K CB 0.668 33.169 32.500 0.001 0.000 0.883 54 K HN 0.734 nan 8.250 nan 0.000 0.496 55 Q N 2.064 121.867 119.800 0.004 0.000 2.152 55 Q HA -0.192 4.148 4.340 -0.000 0.000 0.206 55 Q C 0.411 176.407 176.000 -0.007 0.000 0.985 55 Q CA 2.371 58.173 55.803 -0.001 0.000 0.863 55 Q CB 0.167 28.908 28.738 0.005 0.000 0.904 55 Q HN 0.769 nan 8.270 nan 0.000 0.422 56 D N -1.365 119.032 120.400 -0.006 0.000 2.490 56 D HA 0.036 4.676 4.640 -0.000 0.000 0.244 56 D C 0.510 176.804 176.300 -0.009 0.000 0.979 56 D CA 0.467 54.462 54.000 -0.008 0.000 0.924 56 D CB -0.402 40.394 40.800 -0.006 0.000 1.075 56 D HN 0.154 nan 8.370 nan 0.000 0.488 57 S N 1.528 117.224 115.700 -0.007 0.000 2.589 57 S HA -0.001 4.469 4.470 -0.000 0.000 0.265 57 S C 0.877 175.471 174.600 -0.009 0.000 1.342 57 S CA -0.431 57.765 58.200 -0.007 0.000 1.005 57 S CB 0.456 63.653 63.200 -0.006 0.000 0.909 57 S HN 0.223 nan 8.310 nan 0.000 0.555 58 N N 2.014 120.708 118.700 -0.010 0.000 2.279 58 N HA 0.074 4.814 4.740 -0.000 0.000 0.226 58 N C -0.328 175.177 175.510 -0.009 0.000 1.126 58 N CA -0.332 52.711 53.050 -0.011 0.000 0.846 58 N CB 0.068 38.547 38.487 -0.012 0.000 1.050 58 N HN 0.495 nan 8.380 nan 0.000 0.502 59 K N 1.388 121.784 120.400 -0.007 0.000 2.201 59 K HA 0.212 4.532 4.320 -0.000 0.000 0.278 59 K C -0.104 176.495 176.600 -0.003 0.000 1.027 59 K CA -0.680 55.603 56.287 -0.007 0.000 0.909 59 K CB 0.914 33.409 32.500 -0.007 0.000 1.062 59 K HN -0.098 nan 8.250 nan 0.000 0.465 60 I N 4.564 125.132 120.570 -0.003 0.000 2.664 60 I HA -0.070 4.100 4.170 -0.000 0.000 0.284 60 I C 1.213 177.333 176.117 0.005 0.000 1.154 60 I CA 0.466 61.769 61.300 0.005 0.000 1.402 60 I CB -0.253 37.747 38.000 0.000 0.000 1.395 60 I HN 0.812 nan 8.210 nan 0.000 0.545 61 A N 7.409 130.238 122.820 0.015 0.000 1.850 61 A HA 0.161 4.481 4.320 -0.000 0.000 0.212 61 A C 0.834 178.429 177.584 0.019 0.000 1.208 61 A CA 0.685 52.731 52.037 0.015 0.000 0.609 61 A CB 0.032 19.046 19.000 0.024 0.000 0.860 61 A HN 0.451 nan 8.150 nan 0.000 0.448 62 V N 2.202 122.139 119.914 0.039 0.000 2.409 62 V HA 0.337 4.457 4.120 -0.000 0.000 0.291 62 V C -2.239 173.890 176.094 0.057 0.000 1.020 62 V CA -1.796 60.534 62.300 0.049 0.000 0.848 62 V CB 1.643 33.517 31.823 0.085 0.000 0.990 62 V HN 0.370 nan 8.190 nan 0.000 0.430 63 P HA 0.153 nan 4.420 nan 0.000 0.296 63 P C -0.957 176.385 177.300 0.069 0.000 1.295 63 P CA -0.505 62.614 63.100 0.033 0.000 0.754 63 P CB 1.138 32.833 31.700 -0.008 0.000 1.311 64 K N 0.136 120.573 120.400 0.062 0.000 2.507 64 K HA 0.400 4.720 4.320 -0.000 0.000 0.253 64 K C -1.544 175.092 176.600 0.060 0.000 0.969 64 K CA -0.606 55.732 56.287 0.085 0.000 0.908 64 K CB 0.592 33.153 32.500 0.101 0.000 1.127 64 K HN 0.089 nan 8.250 nan 0.000 0.437 65 V N 3.249 123.190 119.914 0.044 0.000 2.275 65 V HA 0.230 4.350 4.120 -0.000 0.000 0.272 65 V C -0.187 175.848 176.094 -0.098 0.000 1.028 65 V CA -0.566 61.726 62.300 -0.014 0.000 0.810 65 V CB 0.838 32.647 31.823 -0.023 0.000 1.043 65 V HN 0.748 nan 8.190 nan 0.000 0.453 66 S N 3.158 118.830 115.700 -0.047 0.000 2.704 66 S HA 0.721 5.191 4.470 -0.000 0.000 0.305 66 S C 1.172 175.760 174.600 -0.019 0.000 1.107 66 S CA 0.232 58.454 58.200 0.036 0.000 0.993 66 S CB 1.928 65.229 63.200 0.168 0.000 1.110 66 S HN 0.768 nan 8.310 nan 0.000 0.534 67 G N 0.705 109.623 108.800 0.198 0.000 2.887 67 G HA2 0.205 4.165 3.960 -0.000 0.000 0.211 67 G HA3 0.205 4.165 3.960 -0.000 0.000 0.211 67 G C 0.321 175.338 174.900 0.195 0.000 1.152 67 G CA -0.038 45.212 45.100 0.249 0.000 0.769 67 G HN 0.557 nan 8.290 nan 0.000 0.541 68 L N 0.980 122.319 121.223 0.193 0.000 2.978 68 L HA 0.362 4.702 4.340 -0.000 0.000 0.239 68 L C 0.210 177.145 176.870 0.108 0.000 1.293 68 L CA 0.017 54.954 54.840 0.162 0.000 1.085 68 L CB 0.277 42.486 42.059 0.250 0.000 1.432 68 L HN 0.073 nan 8.230 nan 0.000 0.512 69 Q N -0.332 119.516 119.800 0.081 0.000 2.331 69 Q HA 0.359 4.699 4.340 -0.000 0.000 0.267 69 Q C -1.092 174.917 176.000 0.015 0.000 1.006 69 Q CA -0.966 54.888 55.803 0.085 0.000 0.818 69 Q CB 2.059 30.862 28.738 0.108 0.000 1.276 69 Q HN 0.099 nan 8.270 nan 0.000 0.450 70 Y N 1.354 121.688 120.300 0.056 0.000 2.712 70 Y HA -0.051 4.499 4.550 -0.000 0.000 0.333 70 Y C 0.626 176.491 175.900 -0.058 0.000 1.225 70 Y CA 0.510 58.620 58.100 0.017 0.000 1.499 70 Y CB 0.427 38.891 38.460 0.007 0.000 1.288 70 Y HN 0.231 nan 8.280 nan 0.000 0.575 71 R N 2.941 123.397 120.500 -0.072 0.000 2.278 71 R HA 0.324 4.664 4.340 -0.000 0.000 0.322 71 R C -1.519 174.471 176.300 -0.516 0.000 1.058 71 R CA -0.781 55.044 56.100 -0.459 0.000 0.991 71 R CB 0.229 30.066 30.300 -0.772 0.000 1.140 71 R HN 0.394 nan 8.270 nan 0.000 0.518 72 V N 5.324 125.086 119.914 -0.254 0.000 2.364 72 V HA 0.390 4.510 4.120 -0.000 0.000 0.272 72 V C 0.159 176.097 176.094 -0.259 0.000 1.036 72 V CA -0.563 61.675 62.300 -0.103 0.000 0.880 72 V CB 0.487 32.442 31.823 0.221 0.000 0.991 72 V HN 0.371 nan 8.190 nan 0.000 0.460 73 F N 3.688 123.642 119.950 0.006 0.000 2.404 73 F HA 0.533 5.060 4.527 -0.000 0.000 0.345 73 F C 0.811 176.410 175.800 -0.336 0.000 1.110 73 F CA -0.523 57.417 58.000 -0.100 0.000 1.130 73 F CB 1.073 39.954 39.000 -0.197 0.000 1.129 73 F HN 0.315 nan 8.300 nan 0.000 0.500 74 R N 3.113 123.531 120.500 -0.136 0.000 2.369 74 R HA 0.411 4.751 4.340 -0.000 0.000 0.310 74 R C -1.393 174.742 176.300 -0.275 0.000 1.141 74 R CA -0.422 55.354 56.100 -0.539 0.000 1.116 74 R CB 0.557 30.681 30.300 -0.295 0.000 1.135 74 R HN 0.555 nan 8.270 nan 0.000 0.529 75 V N 5.946 125.648 119.914 -0.353 0.000 2.377 75 V HA 0.052 4.172 4.120 -0.000 0.000 0.254 75 V C 0.641 176.620 176.094 -0.191 0.000 1.060 75 V CA -0.014 62.157 62.300 -0.216 0.000 1.068 75 V CB 0.195 31.832 31.823 -0.310 0.000 1.113 75 V HN 0.494 nan 8.190 nan 0.000 0.484 76 K N 5.100 125.440 120.400 -0.101 0.000 2.401 76 K HA 0.467 4.787 4.320 -0.000 0.000 0.278 76 K C -0.437 176.089 176.600 -0.122 0.000 1.018 76 K CA -0.001 56.235 56.287 -0.086 0.000 0.981 76 K CB 1.174 33.656 32.500 -0.030 0.000 0.933 76 K HN 0.515 nan 8.250 nan 0.000 0.477 77 L N 4.278 125.395 121.223 -0.175 0.000 2.323 77 L HA 0.471 4.811 4.340 -0.000 0.000 0.265 77 L C -2.043 174.634 176.870 -0.323 0.000 1.012 77 L CA -2.307 52.338 54.840 -0.325 0.000 0.820 77 L CB 2.083 43.892 42.059 -0.417 0.000 1.334 77 L HN 0.445 nan 8.230 nan 0.000 0.427 78 P HA -0.036 nan 4.420 nan 0.000 0.272 78 P C -1.232 175.917 177.300 -0.251 0.000 1.240 78 P CA -0.187 62.662 63.100 -0.419 0.000 0.791 78 P CB 0.873 32.118 31.700 -0.759 0.000 0.978 79 D N 1.863 122.172 120.400 -0.153 0.000 2.380 79 D HA 0.105 4.745 4.640 -0.000 0.000 0.230 79 D C -1.361 174.864 176.300 -0.124 0.000 1.154 79 D CA -2.027 51.918 54.000 -0.091 0.000 0.859 79 D CB 0.835 41.640 40.800 0.009 0.000 1.045 79 D HN 0.112 nan 8.370 nan 0.000 0.495 80 P HA -0.122 nan 4.420 nan 0.000 0.231 80 P C 0.591 177.912 177.300 0.035 0.000 1.154 80 P CA 0.746 63.694 63.100 -0.252 0.000 0.762 80 P CB 0.398 31.570 31.700 -0.880 0.000 0.790 81 N N 0.146 118.851 118.700 0.009 0.000 2.428 81 N HA -0.002 4.738 4.740 -0.000 0.000 0.181 81 N C 1.570 177.129 175.510 0.082 0.000 1.028 81 N CA 0.809 53.883 53.050 0.040 0.000 0.877 81 N CB -0.054 38.437 38.487 0.007 0.000 1.064 81 N HN 0.327 nan 8.380 nan 0.000 0.434 82 K N 0.321 120.774 120.400 0.088 0.000 2.057 82 K HA -0.011 4.309 4.320 -0.000 0.000 0.206 82 K C 0.488 177.150 176.600 0.103 0.000 1.050 82 K CA 0.376 56.715 56.287 0.086 0.000 0.935 82 K CB -0.375 32.177 32.500 0.086 0.000 0.715 82 K HN -0.073 nan 8.250 nan 0.000 0.439 83 F N 2.462 122.344 119.950 -0.113 0.000 2.623 83 F HA 0.057 4.584 4.527 -0.000 0.000 0.383 83 F C 1.287 176.826 175.800 -0.436 0.000 1.077 83 F CA 0.093 57.924 58.000 -0.282 0.000 1.268 83 F CB 0.350 39.191 39.000 -0.265 0.000 1.053 83 F HN 0.059 nan 8.300 nan 0.000 0.571 84 G N 3.708 112.191 108.800 -0.529 0.000 2.462 84 G HA2 0.581 4.541 3.960 -0.000 0.000 0.319 84 G HA3 0.581 4.541 3.960 -0.000 0.000 0.319 84 G C -1.742 172.647 174.900 -0.853 0.000 1.171 84 G CA -0.477 44.353 45.100 -0.450 0.000 0.920 84 G HN 0.416 nan 8.290 nan 0.000 0.499 85 F N -0.355 119.576 119.950 -0.033 0.000 2.599 85 F HA 0.446 4.973 4.527 -0.000 0.000 0.311 85 F C -1.268 174.512 175.800 -0.034 0.000 1.076 85 F CA -1.697 56.296 58.000 -0.011 0.000 0.937 85 F CB 2.563 41.545 39.000 -0.029 0.000 1.282 85 F HN 0.315 nan 8.300 nan 0.000 0.460 86 P HA -0.089 nan 4.420 nan 0.000 0.216 86 P C 0.822 178.123 177.300 0.000 0.000 1.156 86 P CA 1.354 64.498 63.100 0.073 0.000 0.855 86 P CB 0.345 32.100 31.700 0.092 0.000 0.786 87 D N 0.455 120.876 120.400 0.035 0.000 2.378 87 D HA -0.066 4.574 4.640 -0.000 0.000 0.222 87 D C 0.459 176.520 176.300 -0.398 0.000 0.980 87 D CA 0.780 54.733 54.000 -0.078 0.000 0.907 87 D CB -0.498 40.366 40.800 0.108 0.000 0.899 87 D HN 0.174 nan 8.370 nan 0.000 0.527 88 T N -1.769 112.649 114.554 -0.227 0.000 3.783 88 T HA 0.233 4.583 4.350 -0.000 0.000 0.262 88 T C 1.158 175.722 174.700 -0.228 0.000 1.381 88 T CA -0.046 61.892 62.100 -0.270 0.000 1.155 88 T CB 0.241 68.990 68.868 -0.198 0.000 1.256 88 T HN -0.029 nan 8.240 nan 0.000 0.807 89 S N 0.892 116.262 115.700 -0.550 0.000 2.499 89 S HA 0.125 4.595 4.470 -0.000 0.000 0.225 89 S C 0.943 175.407 174.600 -0.226 0.000 1.050 89 S CA -0.572 57.436 58.200 -0.319 0.000 0.928 89 S CB -0.651 62.396 63.200 -0.255 0.000 0.803 89 S HN 0.641 nan 8.310 nan 0.000 0.506 90 F N 1.462 121.474 119.950 0.104 0.000 2.873 90 F HA 0.601 5.128 4.527 -0.000 0.000 0.289 90 F C -0.108 175.768 175.800 0.128 0.000 1.206 90 F CA -2.237 55.815 58.000 0.086 0.000 1.401 90 F CB -1.214 37.824 39.000 0.063 0.000 0.996 90 F HN 0.253 nan 8.300 nan 0.000 0.511 91 Y N 0.631 120.949 120.300 0.030 0.000 2.442 91 Y HA 0.574 5.124 4.550 -0.000 0.000 0.344 91 Y C -1.670 174.223 175.900 -0.012 0.000 0.976 91 Y CA -1.743 56.372 58.100 0.024 0.000 1.040 91 Y CB 1.557 40.003 38.460 -0.024 0.000 1.228 91 Y HN 0.060 nan 8.280 nan 0.000 0.451 92 D N 8.049 128.075 120.400 -0.624 0.000 2.414 92 D HA 0.355 4.995 4.640 -0.000 0.000 0.232 92 D C -2.249 173.486 176.300 -0.941 0.000 1.070 92 D CA -2.732 50.919 54.000 -0.583 0.000 0.839 92 D CB 2.099 42.736 40.800 -0.272 0.000 1.079 92 D HN 0.406 nan 8.370 nan 0.000 0.521 93 P HA 0.087 nan 4.420 nan 0.000 0.245 93 P C 0.567 177.703 177.300 -0.273 0.000 1.212 93 P CA 0.143 62.898 63.100 -0.576 0.000 0.774 93 P CB 0.575 32.151 31.700 -0.207 0.000 0.999 94 A N 1.205 123.877 122.820 -0.247 0.000 1.887 94 A HA -0.027 4.293 4.320 -0.000 0.000 0.212 94 A C 2.317 179.835 177.584 -0.109 0.000 1.198 94 A CA 1.630 53.587 52.037 -0.133 0.000 0.628 94 A CB -0.991 17.947 19.000 -0.102 0.000 0.847 94 A HN 0.330 nan 8.150 nan 0.000 0.449 95 S N -0.659 114.964 115.700 -0.129 0.000 2.503 95 S HA 0.125 4.595 4.470 -0.000 0.000 0.217 95 S C 0.760 175.300 174.600 -0.100 0.000 0.999 95 S CA -0.167 57.977 58.200 -0.093 0.000 0.914 95 S CB -0.157 62.999 63.200 -0.072 0.000 0.782 95 S HN 0.643 nan 8.310 nan 0.000 0.520 96 Q N 0.182 119.878 119.800 -0.174 0.000 2.297 96 Q HA 0.696 5.036 4.340 -0.000 0.000 0.269 96 Q C -0.734 175.203 176.000 -0.105 0.000 1.051 96 Q CA -1.175 54.569 55.803 -0.098 0.000 0.869 96 Q CB 1.230 29.963 28.738 -0.009 0.000 1.346 96 Q HN 0.026 nan 8.270 nan 0.000 0.457 97 R N 0.175 120.586 120.500 -0.148 0.000 2.869 97 R HA 0.654 4.994 4.340 -0.000 0.000 0.263 97 R C -1.203 174.893 176.300 -0.340 0.000 1.066 97 R CA -0.835 55.019 56.100 -0.409 0.000 0.960 97 R CB 1.324 30.884 30.300 -1.233 0.000 1.221 97 R HN 0.596 nan 8.270 nan 0.000 0.474 98 L N 0.643 121.604 121.223 -0.436 0.000 2.381 98 L HA 0.718 5.058 4.340 -0.000 0.000 0.268 98 L C -0.594 176.113 176.870 -0.271 0.000 0.997 98 L CA -1.097 53.509 54.840 -0.390 0.000 0.818 98 L CB 2.305 44.065 42.059 -0.499 0.000 1.310 98 L HN 0.171 nan 8.230 nan 0.000 0.416 99 V N -0.638 119.110 119.914 -0.277 0.000 3.040 99 V HA 0.433 4.553 4.120 -0.000 0.000 0.312 99 V C -1.316 174.555 176.094 -0.371 0.000 1.115 99 V CA -0.833 61.348 62.300 -0.198 0.000 0.998 99 V CB 2.267 33.985 31.823 -0.175 0.000 1.042 99 V HN 0.650 nan 8.190 nan 0.000 0.433 100 W N 1.384 122.549 121.300 -0.225 0.000 2.335 100 W HA 0.706 5.366 4.660 0.000 0.000 0.307 100 W C 0.255 176.684 176.519 -0.150 0.000 1.117 100 W CA -0.346 56.850 57.345 -0.249 0.000 1.228 100 W CB 1.497 30.684 29.460 -0.455 0.000 1.240 100 W HN 0.744 nan 8.180 nan 0.000 0.468 101 A N 3.722 126.649 122.820 0.178 0.000 2.290 101 A HA 0.475 4.795 4.320 -0.000 0.000 0.310 101 A C -0.519 177.184 177.584 0.199 0.000 1.202 101 A CA -0.577 51.502 52.037 0.071 0.000 0.837 101 A CB 0.452 19.416 19.000 -0.060 0.000 1.139 101 A HN 0.785 nan 8.150 nan 0.000 0.509 102 C N 2.210 121.573 119.300 0.104 0.000 2.463 102 C HA 0.629 5.089 4.460 -0.000 0.000 0.380 102 C C 1.304 176.245 174.990 -0.081 0.000 1.264 102 C CA 0.432 59.443 59.018 -0.012 0.000 2.161 102 C CB 0.018 27.695 27.740 -0.104 0.000 2.515 102 C HN 0.859 nan 8.230 nan 0.000 0.565 103 T N 2.919 117.415 114.554 -0.097 0.000 2.955 103 T HA 0.386 4.736 4.350 -0.000 0.000 0.251 103 T C 0.474 175.301 174.700 0.211 0.000 1.002 103 T CA 0.621 62.786 62.100 0.109 0.000 0.970 103 T CB 0.554 69.579 68.868 0.262 0.000 1.091 103 T HN 1.141 nan 8.240 nan 0.000 0.495 104 G N 0.858 109.656 108.800 -0.004 0.000 2.750 104 G HA2 0.525 4.485 3.960 -0.000 0.000 0.298 104 G HA3 0.525 4.485 3.960 -0.000 0.000 0.298 104 G C -1.590 173.107 174.900 -0.339 0.000 1.412 104 G CA -0.464 44.562 45.100 -0.123 0.000 1.078 104 G HN 0.117 nan 8.290 nan 0.000 0.573 105 V N 1.474 121.162 119.914 -0.377 0.000 2.732 105 V HA 0.740 4.860 4.120 -0.000 0.000 0.310 105 V C -0.280 175.463 176.094 -0.585 0.000 1.053 105 V CA -0.830 61.270 62.300 -0.334 0.000 0.957 105 V CB 2.027 33.825 31.823 -0.040 0.000 1.018 105 V HN 0.723 nan 8.190 nan 0.000 0.452 106 E N 1.801 121.611 120.200 -0.650 0.000 2.263 106 E HA 0.472 4.822 4.350 -0.000 0.000 0.268 106 E C -1.867 174.445 176.600 -0.481 0.000 0.884 106 E CA -0.367 55.652 56.400 -0.634 0.000 0.766 106 E CB 2.393 31.759 29.700 -0.557 0.000 1.196 106 E HN 0.420 nan 8.360 nan 0.000 0.416 107 V N 3.283 123.008 119.914 -0.316 0.000 2.235 107 V HA 0.301 4.421 4.120 -0.000 0.000 0.266 107 V C 0.624 176.604 176.094 -0.191 0.000 1.055 107 V CA -0.685 61.493 62.300 -0.204 0.000 0.844 107 V CB 1.108 32.914 31.823 -0.028 0.000 1.097 107 V HN 0.708 nan 8.190 nan 0.000 0.453 108 G N 4.877 113.543 108.800 -0.224 0.000 2.248 108 G HA2 0.203 4.163 3.960 -0.000 0.000 0.260 108 G HA3 0.203 4.163 3.960 -0.000 0.000 0.260 108 G C 0.166 174.923 174.900 -0.238 0.000 1.214 108 G CA -0.212 44.776 45.100 -0.188 0.000 0.979 108 G HN 0.462 nan 8.290 nan 0.000 0.454 109 R N 1.754 122.124 120.500 -0.217 0.000 2.532 109 R HA 0.634 4.973 4.340 -0.000 0.000 0.295 109 R C 0.386 176.573 176.300 -0.187 0.000 0.968 109 R CA -0.452 55.456 56.100 -0.320 0.000 0.916 109 R CB 2.022 32.157 30.300 -0.277 0.000 1.124 109 R HN 0.555 nan 8.270 nan 0.000 0.463 110 G N 0.436 109.121 108.800 -0.193 0.000 2.685 110 G HA2 0.512 4.472 3.960 -0.000 0.000 0.298 110 G HA3 0.512 4.472 3.960 -0.000 0.000 0.298 110 G C -1.147 173.708 174.900 -0.075 0.000 1.277 110 G CA -0.370 44.672 45.100 -0.098 0.000 0.986 110 G HN 0.424 nan 8.290 nan 0.000 0.487 111 Q N -1.786 117.996 119.800 -0.032 0.000 0.798 111 Q HA -0.128 4.212 4.340 -0.000 0.000 0.128 111 Q C -2.704 173.295 176.000 -0.003 0.000 1.137 111 Q CA 0.084 55.884 55.803 -0.006 0.000 0.195 111 Q CB -1.726 27.023 28.738 0.017 0.000 5.513 111 Q HN 0.661 nan 8.270 nan 0.000 0.290 112 P HA 0.449 nan 4.420 nan 0.000 0.284 112 P C -0.419 176.888 177.300 0.013 0.000 1.258 112 P CA -0.672 62.431 63.100 0.005 0.000 0.824 112 P CB 0.582 32.282 31.700 0.000 0.000 1.038 113 L N 1.379 122.613 121.223 0.018 0.000 2.456 113 L HA 0.544 4.884 4.340 -0.000 0.000 0.272 113 L C 1.275 178.156 176.870 0.018 0.000 1.189 113 L CA 1.556 56.413 54.840 0.028 0.000 0.846 113 L CB -0.086 41.990 42.059 0.028 0.000 1.111 113 L HN 0.850 nan 8.230 nan 0.000 0.475 114 G N 1.357 110.169 108.800 0.021 0.000 2.340 114 G HA2 0.536 4.496 3.960 -0.000 0.000 0.299 114 G HA3 0.536 4.496 3.960 -0.000 0.000 0.299 114 G C -1.837 173.070 174.900 0.011 0.000 1.291 114 G CA 0.055 45.158 45.100 0.005 0.000 0.841 114 G HN 0.903 nan 8.290 nan 0.000 0.500 115 V N -1.398 118.512 119.914 -0.007 0.000 2.777 115 V HA 0.897 5.017 4.120 -0.000 0.000 0.306 115 V C 0.522 176.601 176.094 -0.026 0.000 1.112 115 V CA 0.421 62.723 62.300 0.003 0.000 0.917 115 V CB 1.413 33.250 31.823 0.023 0.000 1.018 115 V HN 2.042 nan 8.190 nan 0.000 0.426 116 G N 3.427 112.220 108.800 -0.012 0.000 2.716 116 G HA2 0.537 4.497 3.960 -0.000 0.000 0.251 116 G HA3 0.537 4.497 3.960 -0.000 0.000 0.251 116 G C -0.476 174.398 174.900 -0.045 0.000 1.224 116 G CA 0.089 45.175 45.100 -0.023 0.000 0.891 116 G HN 1.743 nan 8.290 nan 0.000 0.561 117 I N -0.790 119.750 120.570 -0.049 0.000 2.702 117 I HA 0.388 4.558 4.170 -0.000 0.000 0.287 117 I C -0.840 175.215 176.117 -0.104 0.000 1.342 117 I CA -0.509 60.730 61.300 -0.101 0.000 1.063 117 I CB 1.547 39.519 38.000 -0.046 0.000 1.331 117 I HN 0.521 nan 8.210 nan 0.000 0.427 118 S N 4.680 120.182 115.700 -0.330 0.000 2.607 118 S HA 1.004 5.474 4.470 -0.000 0.000 0.303 118 S C -0.109 174.288 174.600 -0.338 0.000 1.086 118 S CA -0.556 57.403 58.200 -0.403 0.000 0.995 118 S CB 1.997 64.871 63.200 -0.544 0.000 1.084 118 S HN 0.946 nan 8.310 nan 0.000 0.507 119 G N 0.056 108.618 108.800 -0.397 0.000 2.721 119 G HA2 0.604 4.564 3.960 -0.000 0.000 0.296 119 G HA3 0.604 4.564 3.960 -0.000 0.000 0.296 119 G C -2.086 172.714 174.900 -0.168 0.000 1.383 119 G CA -0.459 44.518 45.100 -0.205 0.000 0.788 119 G HN 0.677 nan 8.290 nan 0.000 0.500 120 H N 0.132 119.116 119.070 -0.143 0.000 3.017 120 H HA 0.348 4.904 4.556 -0.000 0.000 0.340 120 H C -2.194 173.093 175.328 -0.067 0.000 1.014 120 H CA -1.257 54.727 56.048 -0.106 0.000 1.341 120 H CB 2.943 32.643 29.762 -0.103 0.000 1.739 120 H HN 0.131 nan 8.280 nan 0.000 0.506 121 P HA -0.102 nan 4.420 nan 0.000 0.215 121 P C 0.697 178.061 177.300 0.108 0.000 1.157 121 P CA 1.305 64.387 63.100 -0.030 0.000 0.874 121 P CB 0.398 32.042 31.700 -0.093 0.000 0.790 122 L N -1.589 119.833 121.223 0.332 0.000 3.100 122 L HA 0.241 4.581 4.340 -0.000 0.000 0.259 122 L C 0.230 177.175 176.870 0.124 0.000 1.316 122 L CA -1.016 53.988 54.840 0.273 0.000 0.992 122 L CB -0.082 42.107 42.059 0.218 0.000 1.390 122 L HN -0.024 nan 8.230 nan 0.000 0.550 123 L N 1.082 122.345 121.223 0.067 0.000 2.514 123 L HA 0.019 4.359 4.340 -0.000 0.000 0.280 123 L C 0.561 177.339 176.870 -0.152 0.000 1.223 123 L CA 0.559 55.273 54.840 -0.209 0.000 0.864 123 L CB 0.395 42.424 42.059 -0.051 0.000 1.118 123 L HN 0.235 nan 8.230 nan 0.000 0.494 124 N N 4.446 123.022 118.700 -0.207 0.000 2.558 124 N HA 0.237 4.977 4.740 -0.000 0.000 0.233 124 N C -1.224 174.262 175.510 -0.040 0.000 1.038 124 N CA -0.198 52.766 53.050 -0.145 0.000 0.934 124 N CB 0.202 38.570 38.487 -0.198 0.000 1.175 124 N HN 0.500 nan 8.380 nan 0.000 0.512 125 K N 5.443 125.858 120.400 0.025 0.000 2.705 125 K HA 0.106 4.426 4.320 -0.000 0.000 0.238 125 K C -0.069 176.575 176.600 0.074 0.000 0.996 125 K CA -0.521 55.823 56.287 0.095 0.000 1.007 125 K CB 0.743 33.136 32.500 -0.177 0.000 1.206 125 K HN 0.400 nan 8.250 nan 0.000 0.488 126 L N 3.239 124.558 121.223 0.159 0.000 1.915 126 L HA -0.094 4.246 4.340 -0.000 0.000 0.225 126 L C -0.207 176.737 176.870 0.124 0.000 1.084 126 L CA 2.293 57.209 54.840 0.128 0.000 0.788 126 L CB -0.137 42.015 42.059 0.154 0.000 0.892 126 L HN 0.824 nan 8.230 nan 0.000 0.434 127 D N -2.349 118.164 120.400 0.189 0.000 2.596 127 D HA 0.312 4.952 4.640 -0.000 0.000 0.234 127 D C -1.536 174.946 176.300 0.303 0.000 1.181 127 D CA -0.599 53.519 54.000 0.196 0.000 0.856 127 D CB 0.661 41.549 40.800 0.147 0.000 1.498 127 D HN 0.152 nan 8.370 nan 0.000 0.446 128 D N -0.432 120.142 120.400 0.291 0.000 2.411 128 D HA 0.225 4.865 4.640 -0.000 0.000 0.225 128 D C 0.594 176.944 176.300 0.082 0.000 1.156 128 D CA -0.466 53.698 54.000 0.274 0.000 0.874 128 D CB 0.702 41.685 40.800 0.305 0.000 1.034 128 D HN 0.370 nan 8.370 nan 0.000 0.502 129 T N 0.246 114.811 114.554 0.018 0.000 3.272 129 T HA 0.036 4.386 4.350 -0.000 0.000 0.250 129 T C 1.239 175.858 174.700 -0.136 0.000 1.082 129 T CA -0.142 61.934 62.100 -0.040 0.000 0.968 129 T CB -0.004 68.845 68.868 -0.032 0.000 1.015 129 T HN 0.528 nan 8.240 nan 0.000 0.563 130 E N 1.746 121.850 120.200 -0.160 0.000 2.046 130 E HA -0.097 4.253 4.350 -0.000 0.000 0.190 130 E C 0.612 177.140 176.600 -0.120 0.000 0.982 130 E CA 0.682 56.974 56.400 -0.179 0.000 0.800 130 E CB 0.184 29.744 29.700 -0.233 0.000 0.756 130 E HN 0.422 nan 8.360 nan 0.000 0.449 131 N N 0.212 118.862 118.700 -0.083 0.000 2.732 131 N HA 0.045 4.785 4.740 -0.000 0.000 0.235 131 N C -1.704 173.797 175.510 -0.015 0.000 1.466 131 N CA -0.075 52.945 53.050 -0.050 0.000 0.751 131 N CB 0.918 39.371 38.487 -0.056 0.000 1.317 131 N HN 0.022 nan 8.380 nan 0.000 0.525 132 S N 0.576 116.276 115.700 -0.000 0.000 2.566 132 S HA 0.116 4.586 4.470 -0.000 0.000 0.280 132 S C 1.333 175.951 174.600 0.030 0.000 1.343 132 S CA 0.199 58.418 58.200 0.032 0.000 1.036 132 S CB 0.457 63.688 63.200 0.052 0.000 0.866 132 S HN 0.560 nan 8.310 nan 0.000 0.526 133 N N 2.339 121.063 118.700 0.041 0.000 2.124 133 N HA 0.059 4.799 4.740 -0.000 0.000 0.188 133 N C 0.571 176.108 175.510 0.045 0.000 1.045 133 N CA 0.466 53.537 53.050 0.035 0.000 0.846 133 N CB 0.014 38.521 38.487 0.033 0.000 1.020 133 N HN 0.424 nan 8.380 nan 0.000 0.432 134 K N -0.521 119.916 120.400 0.062 0.000 1.726 134 K HA 0.245 4.565 4.320 -0.000 0.000 0.278 134 K C -1.510 175.182 176.600 0.153 0.000 0.842 134 K CA -0.542 55.799 56.287 0.090 0.000 0.597 134 K CB 0.070 32.611 32.500 0.067 0.000 2.677 134 K HN -0.017 nan 8.250 nan 0.000 0.945 135 Y N 1.521 121.833 120.300 0.020 0.000 2.333 135 Y HA 0.417 4.967 4.550 -0.000 0.000 0.324 135 Y C -1.224 174.688 175.900 0.021 0.000 1.033 135 Y CA -0.839 57.274 58.100 0.022 0.000 1.224 135 Y CB 0.824 39.294 38.460 0.018 0.000 1.120 135 Y HN 0.140 nan 8.280 nan 0.000 0.457 136 V N 5.633 125.298 119.914 -0.414 0.000 2.743 136 V HA 0.622 4.742 4.120 -0.000 0.000 0.301 136 V C 1.136 176.747 176.094 -0.805 0.000 1.057 136 V CA -0.009 62.027 62.300 -0.441 0.000 1.006 136 V CB 1.401 33.114 31.823 -0.184 0.000 1.024 136 V HN 1.001 nan 8.190 nan 0.000 0.473 137 G N 1.962 110.424 108.800 -0.564 0.000 2.504 137 G HA2 -0.037 3.923 3.960 -0.000 0.000 0.291 137 G HA3 -0.037 3.923 3.960 -0.000 0.000 0.291 137 G C 0.052 174.826 174.900 -0.210 0.000 1.345 137 G CA -0.478 44.381 45.100 -0.401 0.000 1.090 137 G HN 0.764 nan 8.290 nan 0.000 0.591 138 N N 0.418 119.078 118.700 -0.067 0.000 2.429 138 N HA 0.215 4.955 4.740 -0.000 0.000 0.271 138 N C 0.948 176.446 175.510 -0.021 0.000 1.272 138 N CA 0.374 53.419 53.050 -0.009 0.000 0.921 138 N CB 0.837 39.337 38.487 0.022 0.000 1.128 138 N HN 0.656 nan 8.380 nan 0.000 0.481 139 S N 1.142 116.835 115.700 -0.012 0.000 2.687 139 S HA 0.267 4.737 4.470 -0.000 0.000 0.248 139 S C 1.026 175.625 174.600 -0.001 0.000 1.390 139 S CA -0.001 58.195 58.200 -0.008 0.000 0.963 139 S CB 0.260 63.464 63.200 0.007 0.000 0.957 139 S HN 0.495 nan 8.310 nan 0.000 0.584 140 G N -0.697 108.103 108.800 0.000 0.000 2.945 140 G HA2 0.556 4.516 3.960 -0.000 0.000 0.156 140 G HA3 0.556 4.516 3.960 -0.000 0.000 0.156 140 G C -0.562 174.340 174.900 0.004 0.000 1.375 140 G CA -0.442 44.659 45.100 0.001 0.000 1.039 140 G HN 0.811 nan 8.290 nan 0.000 0.586 141 T N 0.629 115.184 114.554 0.003 0.000 2.943 141 T HA 0.429 4.779 4.350 -0.000 0.000 0.284 141 T C -0.636 174.065 174.700 0.002 0.000 1.015 141 T CA 0.091 62.192 62.100 0.002 0.000 1.042 141 T CB 1.200 70.069 68.868 0.002 0.000 1.055 141 T HN 0.520 nan 8.240 nan 0.000 0.500 142 D N 1.685 122.086 120.400 0.001 0.000 3.478 142 D HA -0.150 4.490 4.640 -0.000 0.000 0.219 142 D C -0.323 175.979 176.300 0.003 0.000 1.143 142 D CA 0.420 54.421 54.000 0.001 0.000 1.047 142 D CB -0.778 40.023 40.800 0.003 0.000 0.820 142 D HN 0.612 nan 8.370 nan 0.000 0.393 143 N N 1.568 120.270 118.700 0.004 0.000 2.389 143 N HA 0.115 4.855 4.740 -0.000 0.000 0.260 143 N C 0.036 175.548 175.510 0.003 0.000 1.191 143 N CA -0.458 52.596 53.050 0.007 0.000 0.885 143 N CB 0.568 39.064 38.487 0.015 0.000 1.162 143 N HN 0.206 nan 8.380 nan 0.000 0.512 144 R N 1.429 121.927 120.500 -0.003 0.000 2.582 144 R HA 0.297 4.637 4.340 -0.000 0.000 0.271 144 R C 0.233 176.532 176.300 -0.000 0.000 1.078 144 R CA -0.153 55.941 56.100 -0.010 0.000 1.127 144 R CB 0.554 30.846 30.300 -0.012 0.000 1.038 144 R HN 0.397 nan 8.270 nan 0.000 0.500 145 E N 0.420 120.616 120.200 -0.006 0.000 2.392 145 E HA 0.120 4.470 4.350 -0.000 0.000 0.279 145 E C -1.303 175.298 176.600 0.002 0.000 0.964 145 E CA -0.977 55.421 56.400 -0.002 0.000 0.777 145 E CB 1.466 31.156 29.700 -0.016 0.000 1.249 145 E HN 0.550 nan 8.360 nan 0.000 0.449 146 C N 3.587 122.893 119.300 0.010 0.000 2.648 146 C HA 0.374 4.834 4.460 -0.000 0.000 0.406 146 C C -0.067 174.917 174.990 -0.010 0.000 1.406 146 C CA 0.084 59.110 59.018 0.013 0.000 1.610 146 C CB -2.033 25.710 27.740 0.006 0.000 2.451 146 C HN 0.484 nan 8.230 nan 0.000 0.608 147 I N 7.024 127.589 120.570 -0.009 0.000 2.534 147 I HA 0.317 4.487 4.170 -0.000 0.000 0.288 147 I C 0.330 176.435 176.117 -0.021 0.000 1.077 147 I CA -0.038 61.244 61.300 -0.030 0.000 1.051 147 I CB 2.224 40.178 38.000 -0.076 0.000 1.234 147 I HN 0.744 nan 8.210 nan 0.000 0.425 148 S N 7.097 122.777 115.700 -0.033 0.000 2.745 148 S HA 0.935 5.405 4.470 -0.000 0.000 0.292 148 S C -0.358 174.218 174.600 -0.040 0.000 1.127 148 S CA -0.608 57.559 58.200 -0.056 0.000 1.007 148 S CB 2.345 65.509 63.200 -0.060 0.000 1.165 148 S HN 0.752 nan 8.310 nan 0.000 0.544 149 M N -0.534 119.018 119.600 -0.081 0.000 3.122 149 M HA 0.316 4.796 4.480 -0.000 0.000 0.267 149 M C -2.752 173.457 176.300 -0.152 0.000 0.971 149 M CA -0.730 54.536 55.300 -0.056 0.000 0.788 149 M CB 1.328 33.965 32.600 0.061 0.000 1.611 149 M HN 0.810 nan 8.290 nan 0.000 0.560 150 D N 1.560 121.911 120.400 -0.080 0.000 2.344 150 D HA 0.441 5.081 4.640 -0.000 0.000 0.239 150 D C -1.217 175.113 176.300 0.051 0.000 1.064 150 D CA -0.245 53.706 54.000 -0.082 0.000 0.829 150 D CB 1.385 42.163 40.800 -0.037 0.000 1.129 150 D HN 0.669 nan 8.370 nan 0.000 0.506 151 Y N 0.800 121.137 120.300 0.060 0.000 2.330 151 Y HA 0.029 4.579 4.550 -0.000 0.000 0.341 151 Y C 1.556 177.482 175.900 0.044 0.000 1.278 151 Y CA -0.957 57.191 58.100 0.080 0.000 1.453 151 Y CB 1.045 39.574 38.460 0.114 0.000 1.342 151 Y HN 0.338 nan 8.280 nan 0.000 0.590 152 K N 1.977 122.510 120.400 0.223 0.000 2.518 152 K HA -0.116 4.204 4.320 -0.000 0.000 0.276 152 K C -0.564 176.119 176.600 0.138 0.000 0.974 152 K CA -0.131 56.230 56.287 0.123 0.000 0.986 152 K CB 0.406 32.968 32.500 0.103 0.000 0.901 152 K HN 0.665 nan 8.250 nan 0.000 0.497 153 Q N 2.989 122.855 119.800 0.111 0.000 2.340 153 Q HA 0.217 4.556 4.340 -0.000 0.000 0.259 153 Q C -1.389 174.674 176.000 0.105 0.000 0.964 153 Q CA -0.546 55.323 55.803 0.110 0.000 0.900 153 Q CB 1.350 30.145 28.738 0.093 0.000 1.228 153 Q HN 0.695 nan 8.270 nan 0.000 0.449 154 T N 3.360 117.981 114.554 0.112 0.000 2.912 154 T HA 0.514 4.864 4.350 -0.000 0.000 0.288 154 T C -0.772 173.986 174.700 0.098 0.000 1.030 154 T CA -0.822 61.341 62.100 0.106 0.000 1.020 154 T CB 1.627 70.561 68.868 0.110 0.000 1.056 154 T HN 0.635 nan 8.240 nan 0.000 0.480 155 Q N 1.725 121.572 119.800 0.078 0.000 2.605 155 Q HA 0.414 4.754 4.340 -0.000 0.000 0.228 155 Q C -1.583 174.453 176.000 0.060 0.000 0.805 155 Q CA -0.564 55.269 55.803 0.051 0.000 0.894 155 Q CB 1.385 30.059 28.738 -0.107 0.000 1.469 155 Q HN 0.658 nan 8.270 nan 0.000 0.445 156 L N -1.338 120.001 121.223 0.194 0.000 2.309 156 L HA 1.012 5.352 4.340 -0.000 0.000 0.261 156 L C -0.952 176.125 176.870 0.346 0.000 1.021 156 L CA -0.932 54.033 54.840 0.209 0.000 0.823 156 L CB 2.242 44.427 42.059 0.209 0.000 1.366 156 L HN 0.525 nan 8.230 nan 0.000 0.423 157 C N 2.285 121.763 119.300 0.297 0.000 2.716 157 C HA 0.787 5.247 4.460 -0.000 0.000 0.366 157 C C -1.318 173.850 174.990 0.297 0.000 1.073 157 C CA -0.499 58.737 59.018 0.365 0.000 1.260 157 C CB 0.424 28.488 27.740 0.541 0.000 1.755 157 C HN 0.854 nan 8.230 nan 0.000 0.475 158 L N 7.097 128.498 121.223 0.296 0.000 2.376 158 L HA 0.699 5.039 4.340 -0.000 0.000 0.275 158 L C -0.704 176.342 176.870 0.292 0.000 0.987 158 L CA -0.643 54.360 54.840 0.273 0.000 0.828 158 L CB 1.489 43.637 42.059 0.147 0.000 1.249 158 L HN 0.401 nan 8.230 nan 0.000 0.409 159 I N 2.546 123.343 120.570 0.377 0.000 2.355 159 I HA 0.754 4.924 4.170 -0.000 0.000 0.288 159 I C 0.488 176.704 176.117 0.165 0.000 0.999 159 I CA -0.364 61.174 61.300 0.397 0.000 1.163 159 I CB 1.174 39.500 38.000 0.543 0.000 1.316 159 I HN 0.716 nan 8.210 nan 0.000 0.454 160 G N 3.365 112.136 108.800 -0.048 0.000 2.690 160 G HA2 0.407 4.367 3.960 -0.000 0.000 0.293 160 G HA3 0.407 4.367 3.960 -0.000 0.000 0.293 160 G C 0.109 174.883 174.900 -0.210 0.000 1.399 160 G CA -0.469 44.268 45.100 -0.606 0.000 0.890 160 G HN 0.693 nan 8.290 nan 0.000 0.485 161 C N -0.153 118.996 119.300 -0.252 0.000 2.673 161 C HA 0.587 5.047 4.460 -0.000 0.000 0.274 161 C C 0.634 175.718 174.990 0.157 0.000 1.276 161 C CA -0.703 58.415 59.018 0.166 0.000 1.701 161 C CB -1.773 26.144 27.740 0.295 0.000 1.836 161 C HN 0.517 nan 8.230 nan 0.000 0.596 162 R N 0.646 121.089 120.500 -0.095 0.000 2.799 162 R HA 0.519 4.859 4.340 -0.000 0.000 0.270 162 R C -3.081 172.706 176.300 -0.855 0.000 1.010 162 R CA -1.614 54.226 56.100 -0.433 0.000 0.916 162 R CB 1.151 31.285 30.300 -0.277 0.000 1.228 162 R HN 0.004 nan 8.270 nan 0.000 0.469 163 P HA 0.121 nan 4.420 nan 0.000 0.276 163 P C -2.388 174.592 177.300 -0.534 0.000 1.235 163 P CA -1.194 61.236 63.100 -1.116 0.000 0.772 163 P CB 0.249 31.319 31.700 -1.050 0.000 0.871 164 P HA 0.158 nan 4.420 nan 0.000 0.272 164 P C 0.017 177.143 177.300 -0.290 0.000 1.240 164 P CA -0.091 62.838 63.100 -0.285 0.000 0.791 164 P CB 0.673 32.237 31.700 -0.225 0.000 0.978 165 I N -2.525 117.882 120.570 -0.271 0.000 2.947 165 I HA 0.873 5.043 4.170 -0.000 0.000 0.314 165 I C 0.102 176.060 176.117 -0.265 0.000 1.028 165 I CA -0.822 60.327 61.300 -0.251 0.000 1.077 165 I CB 1.749 39.634 38.000 -0.191 0.000 1.274 165 I HN 0.376 nan 8.210 nan 0.000 0.485 166 G N 1.622 110.288 108.800 -0.224 0.000 2.658 166 G HA2 0.690 4.650 3.960 -0.000 0.000 0.292 166 G HA3 0.690 4.650 3.960 -0.000 0.000 0.292 166 G C -1.828 173.008 174.900 -0.106 0.000 1.320 166 G CA -0.792 44.183 45.100 -0.210 0.000 0.933 166 G HN 0.876 nan 8.290 nan 0.000 0.476 167 E N -0.305 119.867 120.200 -0.047 0.000 2.224 167 E HA 0.603 4.953 4.350 -0.000 0.000 0.265 167 E C -0.886 175.712 176.600 -0.002 0.000 0.878 167 E CA -0.988 55.365 56.400 -0.078 0.000 0.759 167 E CB 1.972 31.590 29.700 -0.136 0.000 1.164 167 E HN 0.751 nan 8.360 nan 0.000 0.414 168 H N 1.065 120.018 119.070 -0.195 0.000 2.960 168 H HA 0.382 4.938 4.556 -0.000 0.000 0.338 168 H C -1.639 173.563 175.328 -0.210 0.000 1.261 168 H CA -1.404 54.557 56.048 -0.145 0.000 1.136 168 H CB 0.954 30.715 29.762 -0.003 0.000 1.875 168 H HN 0.670 nan 8.280 nan 0.000 0.550 169 W N 0.864 122.144 121.300 -0.033 0.000 2.329 169 W HA 0.569 5.229 4.660 -0.000 0.000 0.312 169 W C 0.177 176.649 176.519 -0.079 0.000 1.054 169 W CA -0.630 56.654 57.345 -0.102 0.000 1.245 169 W CB 1.955 31.387 29.460 -0.047 0.000 1.255 169 W HN 0.843 nan 8.180 nan 0.000 0.436 170 G N 2.092 110.967 108.800 0.125 0.000 2.685 170 G HA2 0.395 4.355 3.960 -0.000 0.000 0.298 170 G HA3 0.395 4.355 3.960 -0.000 0.000 0.298 170 G C -1.433 173.513 174.900 0.077 0.000 1.277 170 G CA -1.140 44.010 45.100 0.082 0.000 0.986 170 G HN 0.282 nan 8.290 nan 0.000 0.487 171 K N 0.244 120.675 120.400 0.052 0.000 2.402 171 K HA 0.356 4.676 4.320 -0.000 0.000 0.285 171 K C 0.828 177.444 176.600 0.027 0.000 1.054 171 K CA 0.034 56.339 56.287 0.029 0.000 1.001 171 K CB -0.040 32.473 32.500 0.022 0.000 0.946 171 K HN 0.511 nan 8.250 nan 0.000 0.473 172 G N 2.422 111.237 108.800 0.025 0.000 2.562 172 G HA2 0.165 4.125 3.960 -0.000 0.000 0.275 172 G HA3 0.165 4.125 3.960 -0.000 0.000 0.275 172 G C -0.717 174.190 174.900 0.012 0.000 1.196 172 G CA -0.597 44.517 45.100 0.022 0.000 0.908 172 G HN 0.596 nan 8.290 nan 0.000 0.524 173 T N 2.494 117.054 114.554 0.010 0.000 2.806 173 T HA 0.495 4.845 4.350 -0.000 0.000 0.290 173 T C -1.519 173.183 174.700 0.004 0.000 0.966 173 T CA -0.624 61.479 62.100 0.005 0.000 1.060 173 T CB 1.592 70.463 68.868 0.004 0.000 0.927 173 T HN 0.528 nan 8.240 nan 0.000 0.485 174 P HA 0.356 nan 4.420 nan 0.000 0.279 174 P C -0.141 177.159 177.300 0.000 0.000 1.282 174 P CA -0.604 62.496 63.100 -0.000 0.000 0.788 174 P CB 0.675 32.373 31.700 -0.002 0.000 1.139 175 S N -0.703 114.996 115.700 -0.000 0.000 2.647 175 S HA 0.177 4.647 4.470 -0.000 0.000 0.284 175 S C 0.596 175.196 174.600 -0.001 0.000 1.134 175 S CA -0.773 57.427 58.200 0.000 0.000 1.027 175 S CB -0.303 62.898 63.200 0.001 0.000 1.180 175 S HN 0.512 nan 8.310 nan 0.000 0.521 176 N N 1.492 120.192 118.700 -0.001 0.000 2.670 176 N HA 0.322 5.062 4.740 -0.000 0.000 0.296 176 N C -0.093 175.416 175.510 -0.001 0.000 1.216 176 N CA 0.421 53.470 53.050 -0.001 0.000 1.123 176 N CB -0.839 37.648 38.487 -0.001 0.000 1.459 176 N HN 0.708 nan 8.380 nan 0.000 0.509 177 A N 2.658 125.477 122.820 -0.002 0.000 4.087 177 A HA 0.307 4.627 4.320 -0.000 0.000 0.137 177 A C -0.643 176.939 177.584 -0.003 0.000 1.114 177 A CA -0.509 51.526 52.037 -0.002 0.000 2.001 177 A CB 0.177 19.176 19.000 -0.003 0.000 2.638 177 A HN 0.468 nan 8.150 nan 0.000 1.123 178 N N 1.391 120.089 118.700 -0.003 0.000 2.503 178 N HA 0.384 5.124 4.740 -0.000 0.000 0.267 178 N C -0.138 175.369 175.510 -0.004 0.000 1.214 178 N CA -0.147 52.901 53.050 -0.003 0.000 0.959 178 N CB 0.457 38.942 38.487 -0.004 0.000 1.142 178 N HN 0.592 nan 8.380 nan 0.000 0.455 179 Q N 1.344 121.142 119.800 -0.004 0.000 2.297 179 Q HA 0.096 4.436 4.340 -0.000 0.000 0.267 179 Q C -0.797 175.200 176.000 -0.005 0.000 1.006 179 Q CA -0.406 55.394 55.803 -0.004 0.000 0.896 179 Q CB 0.521 29.257 28.738 -0.003 0.000 1.186 179 Q HN 0.428 nan 8.270 nan 0.000 0.392 180 V N 6.899 126.810 119.914 -0.005 0.000 2.070 180 V HA -0.047 4.073 4.120 -0.000 0.000 0.239 180 V C 0.714 176.805 176.094 -0.007 0.000 1.472 180 V CA -0.154 62.142 62.300 -0.007 0.000 1.453 180 V CB -1.433 30.386 31.823 -0.008 0.000 1.503 180 V HN 0.677 nan 8.190 nan 0.000 0.501 181 K N 2.265 122.662 120.400 -0.006 0.000 2.402 181 K HA 0.172 4.492 4.320 -0.000 0.000 0.265 181 K C 0.392 176.988 176.600 -0.007 0.000 0.978 181 K CA 0.491 56.775 56.287 -0.006 0.000 0.913 181 K CB 0.345 32.842 32.500 -0.005 0.000 0.954 181 K HN 0.417 nan 8.250 nan 0.000 0.511 182 A N 0.387 123.203 122.820 -0.006 0.000 2.587 182 A HA 0.348 4.668 4.320 -0.000 0.000 0.235 182 A C 1.420 178.999 177.584 -0.009 0.000 1.044 182 A CA 1.101 53.133 52.037 -0.007 0.000 0.754 182 A CB -1.161 17.835 19.000 -0.006 0.000 0.968 182 A HN 1.429 nan 8.150 nan 0.000 0.509 183 G N 1.195 109.988 108.800 -0.011 0.000 2.349 183 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.213 183 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.213 183 G C 0.295 175.186 174.900 -0.015 0.000 1.044 183 G CA 0.252 45.345 45.100 -0.012 0.000 0.633 183 G HN 0.834 nan 8.290 nan 0.000 0.506 184 E N 0.078 120.269 120.200 -0.014 0.000 2.468 184 E HA 0.263 4.613 4.350 -0.000 0.000 0.263 184 E C 0.458 177.045 176.600 -0.022 0.000 1.192 184 E CA 0.072 56.462 56.400 -0.017 0.000 1.016 184 E CB 0.570 30.261 29.700 -0.014 0.000 0.980 184 E HN 0.498 nan 8.360 nan 0.000 0.467 185 C N 3.979 123.263 119.300 -0.026 0.000 2.225 185 C HA 0.317 4.777 4.460 -0.000 0.000 0.328 185 C C -2.006 172.964 174.990 -0.034 0.000 1.187 185 C CA -1.879 57.118 59.018 -0.035 0.000 1.665 185 C CB -0.745 26.968 27.740 -0.044 0.000 2.253 185 C HN 0.383 nan 8.230 nan 0.000 0.497 186 P HA 0.140 nan 4.420 nan 0.000 0.264 186 P C -2.508 174.773 177.300 -0.032 0.000 1.179 186 P CA -0.462 62.623 63.100 -0.025 0.000 0.763 186 P CB 0.048 31.736 31.700 -0.020 0.000 0.806 187 P HA 0.101 nan 4.420 nan 0.000 0.271 187 P C -0.282 177.009 177.300 -0.015 0.000 1.216 187 P CA -0.071 63.013 63.100 -0.026 0.000 0.776 187 P CB 0.654 32.348 31.700 -0.010 0.000 0.881 188 L N 1.836 123.037 121.223 -0.037 0.000 2.431 188 L HA 0.511 4.851 4.340 -0.000 0.000 0.260 188 L C 0.769 177.729 176.870 0.150 0.000 1.098 188 L CA -0.203 54.646 54.840 0.015 0.000 0.800 188 L CB -0.120 41.860 42.059 -0.133 0.000 1.210 188 L HN 0.576 nan 8.230 nan 0.000 0.465 189 E N 0.679 121.046 120.200 0.277 0.000 2.291 189 E HA 0.277 4.627 4.350 -0.000 0.000 0.276 189 E C -1.651 175.061 176.600 0.188 0.000 0.896 189 E CA -0.812 55.735 56.400 0.246 0.000 0.774 189 E CB 2.353 32.100 29.700 0.077 0.000 1.227 189 E HN 0.378 nan 8.360 nan 0.000 0.413 190 L N 5.769 126.978 121.223 -0.024 0.000 2.433 190 L HA 0.295 4.635 4.340 -0.000 0.000 0.275 190 L C -1.219 175.443 176.870 -0.345 0.000 1.128 190 L CA 0.456 54.959 54.840 -0.562 0.000 0.875 190 L CB 0.117 41.754 42.059 -0.704 0.000 1.171 190 L HN 0.504 nan 8.230 nan 0.000 0.463 191 L N 4.830 125.790 121.223 -0.438 0.000 2.334 191 L HA 0.559 4.899 4.340 -0.000 0.000 0.272 191 L C -0.123 176.588 176.870 -0.266 0.000 1.020 191 L CA -0.848 53.790 54.840 -0.337 0.000 0.812 191 L CB 1.473 43.291 42.059 -0.402 0.000 1.264 191 L HN 0.537 nan 8.230 nan 0.000 0.439 192 N N 0.291 118.903 118.700 -0.146 0.000 2.384 192 N HA 0.654 5.394 4.740 -0.000 0.000 0.301 192 N C -0.829 174.653 175.510 -0.048 0.000 1.133 192 N CA -0.236 52.752 53.050 -0.103 0.000 0.853 192 N CB 2.260 40.687 38.487 -0.100 0.000 1.241 192 N HN 0.648 nan 8.380 nan 0.000 0.502 193 T N -0.789 113.735 114.554 -0.051 0.000 2.977 193 T HA 0.324 4.673 4.350 -0.000 0.000 0.345 193 T C -1.547 173.066 174.700 -0.146 0.000 1.562 193 T CA -0.530 61.545 62.100 -0.042 0.000 1.090 193 T CB 0.554 69.452 68.868 0.049 0.000 1.383 193 T HN 0.032 nan 8.240 nan 0.000 0.484 194 V N 4.824 124.612 119.914 -0.209 0.000 2.567 194 V HA 0.505 4.625 4.120 -0.000 0.000 0.289 194 V C 0.327 176.242 176.094 -0.299 0.000 1.049 194 V CA -0.756 61.346 62.300 -0.329 0.000 0.969 194 V CB 1.438 32.895 31.823 -0.610 0.000 0.995 194 V HN 0.801 nan 8.190 nan 0.000 0.471 195 L N 5.551 126.600 121.223 -0.290 0.000 2.319 195 L HA 0.413 4.753 4.340 -0.000 0.000 0.280 195 L C -0.011 176.812 176.870 -0.079 0.000 1.099 195 L CA 0.122 54.772 54.840 -0.316 0.000 0.828 195 L CB 0.678 42.497 42.059 -0.400 0.000 1.150 195 L HN 0.680 nan 8.230 nan 0.000 0.442 196 Q N 1.486 121.251 119.800 -0.058 0.000 2.397 196 Q HA 0.225 4.565 4.340 -0.000 0.000 0.275 196 Q C -1.131 174.937 176.000 0.114 0.000 1.090 196 Q CA -0.999 54.861 55.803 0.094 0.000 0.809 196 Q CB 2.611 31.309 28.738 -0.067 0.000 1.362 196 Q HN 0.497 nan 8.270 nan 0.000 0.431 197 D N 0.023 120.543 120.400 0.200 0.000 2.520 197 D HA 0.215 4.855 4.640 -0.000 0.000 0.243 197 D C 0.796 177.155 176.300 0.099 0.000 1.160 197 D CA 2.066 56.152 54.000 0.144 0.000 0.877 197 D CB 0.070 40.972 40.800 0.170 0.000 1.150 197 D HN 0.694 nan 8.370 nan 0.000 0.494 198 G N 3.391 112.264 108.800 0.122 0.000 2.421 198 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.188 198 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.188 198 G C -0.226 174.755 174.900 0.135 0.000 1.001 198 G CA -0.227 44.936 45.100 0.104 0.000 0.693 198 G HN 0.594 nan 8.290 nan 0.000 0.479 199 D N 2.312 122.824 120.400 0.187 0.000 2.345 199 D HA 0.442 5.082 4.640 -0.000 0.000 0.247 199 D C 1.110 177.635 176.300 0.376 0.000 1.108 199 D CA 0.103 54.235 54.000 0.220 0.000 0.894 199 D CB 0.735 41.557 40.800 0.036 0.000 1.203 199 D HN 0.050 nan 8.370 nan 0.000 0.430 200 M N 1.642 121.397 119.600 0.258 0.000 2.228 200 M HA 0.125 4.605 4.480 -0.000 0.000 0.351 200 M C 0.309 176.810 176.300 0.336 0.000 1.233 200 M CA -0.550 54.891 55.300 0.234 0.000 1.129 200 M CB 0.457 33.142 32.600 0.143 0.000 1.604 200 M HN 0.094 nan 8.290 nan 0.000 0.457 201 V N 0.417 120.452 119.914 0.201 0.000 3.295 201 V HA 0.340 4.460 4.120 -0.000 0.000 0.308 201 V C 0.450 176.672 176.094 0.214 0.000 1.068 201 V CA -1.182 61.243 62.300 0.209 0.000 1.062 201 V CB 0.408 32.228 31.823 -0.005 0.000 1.162 201 V HN 0.883 nan 8.190 nan 0.000 0.456 202 D N 0.277 120.838 120.400 0.268 0.000 2.372 202 D HA 0.087 4.727 4.640 -0.000 0.000 0.243 202 D C 0.723 177.087 176.300 0.108 0.000 1.121 202 D CA 0.459 54.599 54.000 0.232 0.000 0.898 202 D CB 1.590 42.558 40.800 0.280 0.000 1.202 202 D HN 0.864 nan 8.370 nan 0.000 0.428 203 T N -2.714 111.843 114.554 0.004 0.000 3.003 203 T HA 0.423 4.773 4.350 -0.000 0.000 0.261 203 T C 1.213 175.904 174.700 -0.014 0.000 1.003 203 T CA 0.191 62.176 62.100 -0.192 0.000 0.917 203 T CB 0.324 68.577 68.868 -1.025 0.000 1.084 203 T HN 0.839 nan 8.240 nan 0.000 0.522 204 G N 0.784 109.646 108.800 0.104 0.000 2.215 204 G HA2 -0.012 3.948 3.960 -0.000 0.000 0.187 204 G HA3 -0.012 3.948 3.960 -0.000 0.000 0.187 204 G C -0.084 174.762 174.900 -0.089 0.000 1.039 204 G CA -0.457 44.655 45.100 0.019 0.000 0.771 204 G HN 0.383 nan 8.290 nan 0.000 0.507 205 F N 1.397 121.417 119.950 0.117 0.000 2.764 205 F HA 0.545 5.072 4.527 -0.000 0.000 0.310 205 F C 1.321 177.287 175.800 0.276 0.000 1.124 205 F CA 0.212 58.343 58.000 0.219 0.000 1.252 205 F CB 1.078 40.241 39.000 0.272 0.000 1.010 205 F HN 0.819 nan 8.300 nan 0.000 0.518 206 G N 0.940 109.943 108.800 0.338 0.000 2.699 206 G HA2 0.210 4.170 3.960 -0.000 0.000 0.686 206 G HA3 0.210 4.170 3.960 -0.000 0.000 0.686 206 G C -0.726 174.393 174.900 0.365 0.000 1.301 206 G CA -0.722 44.557 45.100 0.300 0.000 0.816 206 G HN 0.624 nan 8.290 nan 0.000 0.595 207 A N 1.140 124.155 122.820 0.326 0.000 2.341 207 A HA 0.824 5.144 4.320 -0.000 0.000 0.326 207 A C 0.494 178.278 177.584 0.334 0.000 1.402 207 A CA 0.846 53.085 52.037 0.337 0.000 0.957 207 A CB -0.284 18.905 19.000 0.315 0.000 1.151 207 A HN 2.078 nan 8.150 nan 0.000 0.533 208 M N 0.382 120.121 119.600 0.232 0.000 3.053 208 M HA 0.664 5.144 4.480 -0.000 0.000 0.281 208 M C -1.694 174.587 176.300 -0.033 0.000 1.304 208 M CA -0.814 54.555 55.300 0.115 0.000 0.767 208 M CB 1.481 34.013 32.600 -0.112 0.000 1.730 208 M HN 0.254 nan 8.290 nan 0.000 0.437 209 D N 0.375 120.733 120.400 -0.070 0.000 2.460 209 D HA 0.376 5.016 4.640 -0.000 0.000 0.232 209 D C -0.285 175.867 176.300 -0.246 0.000 1.079 209 D CA -0.414 53.559 54.000 -0.046 0.000 0.864 209 D CB 0.513 41.391 40.800 0.130 0.000 1.048 209 D HN 0.552 nan 8.370 nan 0.000 0.523 210 F N 1.224 121.206 119.950 0.053 0.000 2.186 210 F HA -0.138 4.389 4.527 0.000 0.000 0.299 210 F C 2.527 178.335 175.800 0.013 0.000 1.090 210 F CA 1.180 59.193 58.000 0.021 0.000 1.307 210 F CB -0.707 38.289 39.000 -0.007 0.000 1.019 210 F HN 0.327 nan 8.300 nan 0.000 0.489 211 T N -1.679 112.963 114.554 0.146 0.000 2.674 211 T HA -0.203 4.147 4.350 -0.000 0.000 0.265 211 T C 2.057 176.784 174.700 0.045 0.000 1.039 211 T CA 1.995 64.149 62.100 0.089 0.000 1.150 211 T CB -1.073 67.841 68.868 0.078 0.000 0.864 211 T HN 0.432 nan 8.240 nan 0.000 0.427 212 T N -0.179 114.394 114.554 0.031 0.000 3.035 212 T HA 0.176 4.526 4.350 -0.000 0.000 0.259 212 T C 1.744 176.441 174.700 -0.005 0.000 1.078 212 T CA 0.095 62.205 62.100 0.017 0.000 1.132 212 T CB -0.358 68.526 68.868 0.027 0.000 0.900 212 T HN 0.080 nan 8.240 nan 0.000 0.480 213 L N 0.841 122.043 121.223 -0.035 0.000 2.418 213 L HA 0.386 4.726 4.340 -0.000 0.000 0.218 213 L C 0.849 177.686 176.870 -0.054 0.000 1.125 213 L CA 1.028 55.832 54.840 -0.060 0.000 0.835 213 L CB -0.486 41.507 42.059 -0.111 0.000 0.953 213 L HN 0.425 nan 8.230 nan 0.000 0.454 214 Q N -1.493 118.288 119.800 -0.032 0.000 2.558 214 Q HA 0.431 4.771 4.340 -0.000 0.000 0.252 214 Q C 0.727 176.725 176.000 -0.003 0.000 1.015 214 Q CA 0.064 55.858 55.803 -0.015 0.000 0.720 214 Q CB 1.597 30.347 28.738 0.020 0.000 1.215 214 Q HN 0.150 nan 8.270 nan 0.000 0.500 215 A N 2.837 125.648 122.820 -0.014 0.000 1.872 215 A HA -0.194 4.126 4.320 -0.000 0.000 0.214 215 A C 1.806 179.385 177.584 -0.009 0.000 1.187 215 A CA 1.768 53.801 52.037 -0.007 0.000 0.614 215 A CB -0.390 18.604 19.000 -0.011 0.000 0.826 215 A HN 0.812 nan 8.150 nan 0.000 0.442 216 N N 1.482 120.167 118.700 -0.025 0.000 2.322 216 N HA -0.298 4.442 4.740 -0.000 0.000 0.189 216 N C 0.714 176.204 175.510 -0.033 0.000 1.012 216 N CA 1.803 54.832 53.050 -0.035 0.000 0.880 216 N CB -0.879 37.571 38.487 -0.062 0.000 0.967 216 N HN 0.754 nan 8.380 nan 0.000 0.439 217 K N -1.605 118.782 120.400 -0.021 0.000 3.078 217 K HA -0.202 4.118 4.320 -0.000 0.000 0.261 217 K C -0.493 176.078 176.600 -0.048 0.000 0.947 217 K CA 1.120 57.408 56.287 0.001 0.000 0.702 217 K CB -2.157 30.371 32.500 0.046 0.000 1.318 217 K HN 0.238 nan 8.250 nan 0.000 0.473 218 S N -0.008 115.561 115.700 -0.218 0.000 2.733 218 S HA 0.021 4.491 4.470 -0.000 0.000 0.270 218 S C -0.403 173.813 174.600 -0.639 0.000 1.062 218 S CA 0.137 57.995 58.200 -0.570 0.000 1.256 218 S CB 0.464 63.468 63.200 -0.328 0.000 1.187 218 S HN 0.652 nan 8.310 nan 0.000 0.666 219 D N 2.162 122.332 120.400 -0.383 0.000 2.895 219 D HA 0.374 5.014 4.640 -0.000 0.000 0.258 219 D C -0.182 175.869 176.300 -0.414 0.000 1.311 219 D CA -0.497 53.264 54.000 -0.399 0.000 0.843 219 D CB 0.192 40.757 40.800 -0.392 0.000 1.055 219 D HN 0.164 nan 8.370 nan 0.000 0.486 220 V N -5.014 114.651 119.914 -0.415 0.000 2.915 220 V HA 0.418 4.538 4.120 -0.000 0.000 0.273 220 V C -3.160 172.772 176.094 -0.270 0.000 1.538 220 V CA -2.011 59.958 62.300 -0.552 0.000 0.946 220 V CB 1.463 32.874 31.823 -0.686 0.000 1.183 220 V HN -0.235 nan 8.190 nan 0.000 0.446 221 P HA 0.125 nan 4.420 nan 0.000 0.266 221 P C 1.278 178.561 177.300 -0.028 0.000 1.186 221 P CA -0.071 63.006 63.100 -0.038 0.000 0.767 221 P CB 0.450 32.119 31.700 -0.051 0.000 0.820 222 L N 2.436 123.644 121.223 -0.025 0.000 2.137 222 L HA -0.212 4.128 4.340 -0.000 0.000 0.213 222 L C 1.733 178.626 176.870 0.038 0.000 1.085 222 L CA 2.193 57.042 54.840 0.014 0.000 0.760 222 L CB -1.924 40.134 42.059 -0.002 0.000 0.893 222 L HN 0.506 nan 8.230 nan 0.000 0.434 223 D N 0.046 120.461 120.400 0.024 0.000 2.378 223 D HA -0.163 4.477 4.640 -0.000 0.000 0.222 223 D C 1.663 177.988 176.300 0.041 0.000 0.980 223 D CA 0.973 55.043 54.000 0.118 0.000 0.907 223 D CB -0.268 40.671 40.800 0.232 0.000 0.899 223 D HN 0.643 nan 8.370 nan 0.000 0.527 224 I N -2.780 117.731 120.570 -0.099 0.000 4.730 224 I HA 0.205 4.375 4.170 -0.000 0.000 0.332 224 I C 1.903 177.818 176.117 -0.337 0.000 1.299 224 I CA -0.247 60.888 61.300 -0.276 0.000 1.294 224 I CB -0.097 37.529 38.000 -0.624 0.000 1.317 224 I HN 0.082 nan 8.210 nan 0.000 0.457 225 C N 1.448 120.623 119.300 -0.208 0.000 2.419 225 C HA 0.094 4.554 4.460 -0.000 0.000 0.283 225 C C 2.140 177.197 174.990 0.111 0.000 1.373 225 C CA 0.709 59.682 59.018 -0.075 0.000 1.781 225 C CB -1.643 26.088 27.740 -0.014 0.000 1.886 225 C HN 0.693 nan 8.230 nan 0.000 0.520 226 S N -0.147 115.604 115.700 0.085 0.000 2.624 226 S HA 0.513 4.983 4.470 -0.000 0.000 0.246 226 S C 0.012 174.682 174.600 0.115 0.000 1.072 226 S CA -0.228 58.037 58.200 0.109 0.000 1.045 226 S CB -0.165 63.081 63.200 0.077 0.000 0.851 226 S HN 0.587 nan 8.310 nan 0.000 0.480 227 S N 0.654 116.451 115.700 0.161 0.000 2.851 227 S HA 0.680 5.150 4.470 -0.000 0.000 0.317 227 S C -0.895 173.850 174.600 0.241 0.000 1.144 227 S CA -0.893 57.397 58.200 0.150 0.000 0.862 227 S CB 0.893 64.149 63.200 0.094 0.000 1.259 227 S HN 0.432 nan 8.310 nan 0.000 0.564 228 I N 1.085 121.737 120.570 0.137 0.000 2.410 228 I HA 0.309 4.479 4.170 -0.000 0.000 0.286 228 I C -1.043 175.153 176.117 0.131 0.000 1.009 228 I CA -0.333 61.014 61.300 0.079 0.000 1.111 228 I CB 1.195 39.063 38.000 -0.221 0.000 1.262 228 I HN 0.477 nan 8.210 nan 0.000 0.443 229 C N 6.758 126.248 119.300 0.318 0.000 2.252 229 C HA 0.242 4.702 4.460 -0.000 0.000 0.342 229 C C 0.769 175.915 174.990 0.261 0.000 1.110 229 C CA -0.773 58.437 59.018 0.318 0.000 1.581 229 C CB -1.286 26.723 27.740 0.447 0.000 2.087 229 C HN 0.650 nan 8.230 nan 0.000 0.500 230 K N 2.113 122.633 120.400 0.201 0.000 2.168 230 K HA 0.367 4.687 4.320 -0.000 0.000 0.258 230 K C -0.782 176.018 176.600 0.333 0.000 1.010 230 K CA -0.193 56.190 56.287 0.161 0.000 0.929 230 K CB 0.921 33.355 32.500 -0.110 0.000 0.998 230 K HN 0.593 nan 8.250 nan 0.000 0.479 231 Y N 1.450 121.823 120.300 0.123 0.000 2.391 231 Y HA 0.278 4.828 4.550 -0.000 0.000 0.341 231 Y C -2.577 173.337 175.900 0.024 0.000 0.965 231 Y CA -2.710 55.482 58.100 0.153 0.000 1.067 231 Y CB 1.683 40.226 38.460 0.138 0.000 1.199 231 Y HN 0.421 nan 8.280 nan 0.000 0.450 232 P HA -0.057 nan 4.420 nan 0.000 0.260 232 P C -0.754 176.173 177.300 -0.622 0.000 1.185 232 P CA 0.451 63.120 63.100 -0.719 0.000 0.763 232 P CB 0.413 31.280 31.700 -1.389 0.000 0.776 233 D N 3.308 123.491 120.400 -0.362 0.000 2.498 233 D HA -0.012 4.628 4.640 -0.000 0.000 0.229 233 D C 0.435 176.622 176.300 -0.188 0.000 1.188 233 D CA 0.009 53.915 54.000 -0.156 0.000 1.028 233 D CB -0.186 40.537 40.800 -0.128 0.000 1.087 233 D HN 0.334 nan 8.370 nan 0.000 0.510 234 Y N 1.987 122.230 120.300 -0.096 0.000 2.242 234 Y HA -0.150 4.400 4.550 -0.000 0.000 0.291 234 Y C 2.291 178.110 175.900 -0.136 0.000 1.137 234 Y CA 0.636 58.627 58.100 -0.181 0.000 1.181 234 Y CB 0.051 38.411 38.460 -0.167 0.000 0.989 234 Y HN 0.347 nan 8.280 nan 0.000 0.527 235 L N 0.133 121.416 121.223 0.100 0.000 1.963 235 L HA -0.375 3.965 4.340 -0.000 0.000 0.220 235 L C 2.582 179.459 176.870 0.013 0.000 1.076 235 L CA 1.970 56.842 54.840 0.052 0.000 0.772 235 L CB -0.522 41.568 42.059 0.052 0.000 0.892 235 L HN 0.192 nan 8.230 nan 0.000 0.435 236 K N -0.319 120.070 120.400 -0.018 0.000 1.985 236 K HA -0.193 4.127 4.320 -0.000 0.000 0.210 236 K C 2.195 178.768 176.600 -0.044 0.000 1.047 236 K CA 1.655 57.920 56.287 -0.036 0.000 0.932 236 K CB -0.102 32.362 32.500 -0.060 0.000 0.716 236 K HN 0.179 nan 8.250 nan 0.000 0.439 237 M N 0.284 119.832 119.600 -0.087 0.000 2.144 237 M HA -0.207 4.273 4.480 -0.000 0.000 0.260 237 M C 2.189 178.460 176.300 -0.048 0.000 1.067 237 M CA 1.366 56.608 55.300 -0.097 0.000 1.095 237 M CB -0.346 32.147 32.600 -0.178 0.000 1.365 237 M HN 0.031 nan 8.290 nan 0.000 0.406 238 V N -0.516 119.376 119.914 -0.037 0.000 2.270 238 V HA -0.205 3.915 4.120 -0.000 0.000 0.245 238 V C 2.070 178.193 176.094 0.048 0.000 1.043 238 V CA 1.918 64.228 62.300 0.017 0.000 1.014 238 V CB -0.350 31.492 31.823 0.032 0.000 0.645 238 V HN 0.394 nan 8.190 nan 0.000 0.447 239 S N -0.753 114.969 115.700 0.037 0.000 2.720 239 S HA 0.003 4.473 4.470 -0.000 0.000 0.222 239 S C 0.758 175.386 174.600 0.048 0.000 0.958 239 S CA -0.040 58.188 58.200 0.047 0.000 0.943 239 S CB -0.533 62.688 63.200 0.034 0.000 0.779 239 S HN 0.687 nan 8.310 nan 0.000 0.526 240 E N 2.602 122.831 120.200 0.048 0.000 2.384 240 E HA 0.026 4.376 4.350 -0.000 0.000 0.266 240 E C -1.360 175.292 176.600 0.086 0.000 1.012 240 E CA -1.584 54.850 56.400 0.057 0.000 0.901 240 E CB 0.786 30.518 29.700 0.054 0.000 0.967 240 E HN 0.072 nan 8.360 nan 0.000 0.435 241 P HA -0.195 nan 4.420 nan 0.000 0.215 241 P C 0.597 177.862 177.300 -0.058 0.000 1.153 241 P CA 1.544 64.603 63.100 -0.069 0.000 0.853 241 P CB -0.085 31.477 31.700 -0.230 0.000 0.788 242 Y N -0.359 120.001 120.300 0.100 0.000 2.511 242 Y HA 0.306 4.856 4.550 -0.000 0.000 0.279 242 Y C 1.721 177.774 175.900 0.256 0.000 1.157 242 Y CA 0.402 58.598 58.100 0.161 0.000 1.300 242 Y CB -0.804 37.714 38.460 0.095 0.000 1.052 242 Y HN -0.017 nan 8.280 nan 0.000 0.529 243 G N 1.473 110.463 108.800 0.317 0.000 2.357 243 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.282 243 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.282 243 G C 0.361 175.406 174.900 0.241 0.000 0.910 243 G CA 0.876 46.128 45.100 0.253 0.000 1.267 243 G HN 0.446 nan 8.290 nan 0.000 0.476 244 D N -0.132 120.370 120.400 0.170 0.000 2.355 244 D HA 0.034 4.674 4.640 -0.000 0.000 0.206 244 D C 2.286 178.486 176.300 -0.167 0.000 1.010 244 D CA 0.535 54.590 54.000 0.092 0.000 0.875 244 D CB 0.096 40.986 40.800 0.150 0.000 0.966 244 D HN 0.521 nan 8.370 nan 0.000 0.512 245 M N 0.635 120.163 119.600 -0.120 0.000 2.086 245 M HA -0.092 4.388 4.480 -0.000 0.000 0.261 245 M C -0.194 175.943 176.300 -0.271 0.000 1.067 245 M CA 1.364 56.549 55.300 -0.192 0.000 1.116 245 M CB 0.187 32.704 32.600 -0.139 0.000 1.348 245 M HN 0.015 nan 8.290 nan 0.000 0.407 246 L N -3.022 118.065 121.223 -0.228 0.000 2.505 246 L HA 0.479 4.819 4.340 -0.000 0.000 0.259 246 L C -1.301 175.557 176.870 -0.020 0.000 0.952 246 L CA -0.967 53.758 54.840 -0.191 0.000 0.840 246 L CB 0.954 42.967 42.059 -0.076 0.000 1.358 246 L HN 0.158 nan 8.230 nan 0.000 0.409 247 F N 1.161 121.251 119.950 0.233 0.000 2.811 247 F HA 0.806 5.333 4.527 -0.000 0.000 0.342 247 F C -0.666 175.349 175.800 0.357 0.000 1.203 247 F CA -1.654 56.496 58.000 0.251 0.000 1.173 247 F CB -0.162 38.962 39.000 0.205 0.000 1.094 247 F HN 0.499 nan 8.300 nan 0.000 0.510 248 F N 1.523 121.732 119.950 0.432 0.000 2.765 248 F HA 0.541 5.068 4.527 -0.000 0.000 0.313 248 F C -2.159 173.852 175.800 0.352 0.000 1.136 248 F CA -1.635 56.543 58.000 0.296 0.000 0.952 248 F CB 0.970 40.124 39.000 0.257 0.000 1.268 248 F HN 0.180 nan 8.300 nan 0.000 0.441 249 Y N 3.514 123.363 120.300 -0.752 0.000 2.661 249 Y HA 0.720 5.270 4.550 -0.000 0.000 0.339 249 Y C -2.610 172.955 175.900 -0.558 0.000 1.186 249 Y CA -1.858 55.983 58.100 -0.432 0.000 1.137 249 Y CB 0.923 39.361 38.460 -0.036 0.000 1.354 249 Y HN 0.620 nan 8.280 nan 0.000 0.469 250 L N 3.780 124.849 121.223 -0.256 0.000 2.516 250 L HA 0.759 5.099 4.340 -0.000 0.000 0.267 250 L C -1.112 175.712 176.870 -0.077 0.000 0.957 250 L CA -0.918 53.740 54.840 -0.304 0.000 0.860 250 L CB 2.471 44.322 42.059 -0.345 0.000 1.265 250 L HN 0.807 nan 8.230 nan 0.000 0.403 251 R N 1.601 122.053 120.500 -0.079 0.000 2.803 251 R HA 0.914 5.254 4.340 -0.000 0.000 0.276 251 R C -0.734 175.537 176.300 -0.050 0.000 0.978 251 R CA -1.028 55.066 56.100 -0.010 0.000 0.939 251 R CB 2.090 32.359 30.300 -0.053 0.000 1.179 251 R HN 0.500 nan 8.270 nan 0.000 0.472 252 R N 1.108 121.600 120.500 -0.014 0.000 2.921 252 R HA 0.143 4.483 4.340 -0.000 0.000 0.269 252 R C -1.548 174.769 176.300 0.027 0.000 1.696 252 R CA -0.262 55.826 56.100 -0.020 0.000 1.161 252 R CB 0.924 31.184 30.300 -0.068 0.000 1.337 252 R HN 0.961 nan 8.270 nan 0.000 0.496 253 E N 3.334 123.566 120.200 0.054 0.000 2.266 253 E HA 0.438 4.788 4.350 -0.000 0.000 0.268 253 E C -1.413 175.233 176.600 0.076 0.000 0.879 253 E CA -1.048 55.405 56.400 0.088 0.000 0.762 253 E CB 2.507 32.295 29.700 0.146 0.000 1.199 253 E HN 0.517 nan 8.360 nan 0.000 0.422 254 Q N 2.870 122.720 119.800 0.084 0.000 2.386 254 Q HA 0.596 4.936 4.340 -0.000 0.000 0.274 254 Q C -1.055 175.006 176.000 0.103 0.000 1.011 254 Q CA -1.058 54.798 55.803 0.088 0.000 0.867 254 Q CB 2.319 31.107 28.738 0.083 0.000 1.409 254 Q HN 0.670 nan 8.270 nan 0.000 0.395 255 M N 1.794 121.466 119.600 0.121 0.000 2.956 255 M HA 0.680 5.160 4.480 -0.000 0.000 0.272 255 M C -2.159 174.247 176.300 0.177 0.000 1.132 255 M CA -0.466 54.892 55.300 0.096 0.000 0.805 255 M CB 1.962 34.580 32.600 0.030 0.000 1.639 255 M HN 1.004 nan 8.290 nan 0.000 0.520 256 F N -0.049 119.915 119.950 0.024 0.000 2.985 256 F HA 0.783 5.310 4.527 -0.000 0.000 0.322 256 F C -1.428 174.368 175.800 -0.007 0.000 1.187 256 F CA -1.015 56.986 58.000 0.003 0.000 0.910 256 F CB 0.402 39.403 39.000 0.002 0.000 1.411 256 F HN 0.351 nan 8.300 nan 0.000 0.492 257 V N 2.062 122.204 119.914 0.381 0.000 2.338 257 V HA 0.399 4.519 4.120 -0.000 0.000 0.255 257 V C 1.130 177.358 176.094 0.222 0.000 1.082 257 V CA -0.340 62.041 62.300 0.136 0.000 0.951 257 V CB 0.063 31.924 31.823 0.063 0.000 1.102 257 V HN 0.949 nan 8.190 nan 0.000 0.489 258 R N 3.171 123.648 120.500 -0.037 0.000 2.075 258 R HA -0.024 4.316 4.340 -0.000 0.000 0.230 258 R C 0.517 177.016 176.300 0.331 0.000 1.140 258 R CA 1.777 57.975 56.100 0.163 0.000 0.928 258 R CB -0.183 30.112 30.300 -0.008 0.000 0.834 258 R HN 0.819 nan 8.270 nan 0.000 0.429 259 H N -2.409 116.540 119.070 -0.202 0.000 2.908 259 H HA 0.517 5.073 4.556 -0.000 0.000 0.350 259 H C -1.149 173.797 175.328 -0.637 0.000 1.217 259 H CA -0.747 55.029 56.048 -0.453 0.000 1.168 259 H CB 1.319 30.653 29.762 -0.712 0.000 1.891 259 H HN 0.014 nan 8.280 nan 0.000 0.566 260 L N 2.289 123.080 121.223 -0.721 0.000 2.401 260 L HA 0.414 4.754 4.340 -0.000 0.000 0.263 260 L C -1.127 175.289 176.870 -0.756 0.000 1.004 260 L CA -0.228 54.246 54.840 -0.609 0.000 0.881 260 L CB 0.237 42.063 42.059 -0.388 0.000 1.219 260 L HN 0.298 nan 8.230 nan 0.000 0.441 261 F N 0.709 120.408 119.950 -0.417 0.000 2.509 261 F HA 0.414 4.941 4.527 -0.000 0.000 0.334 261 F C 0.584 176.360 175.800 -0.039 0.000 1.060 261 F CA -0.665 57.119 58.000 -0.361 0.000 0.997 261 F CB 1.484 40.086 39.000 -0.664 0.000 1.271 261 F HN 0.362 nan 8.300 nan 0.000 0.488 262 N N 0.372 119.333 118.700 0.435 0.000 2.456 262 N HA 0.348 5.088 4.740 -0.000 0.000 0.296 262 N C -0.952 174.866 175.510 0.514 0.000 1.102 262 N CA -0.755 52.581 53.050 0.478 0.000 0.924 262 N CB 0.946 39.650 38.487 0.360 0.000 1.186 262 N HN 0.384 nan 8.380 nan 0.000 0.492 263 R N 1.154 121.888 120.500 0.389 0.000 2.598 263 R HA 0.509 4.849 4.340 -0.000 0.000 0.279 263 R C -0.558 175.815 176.300 0.121 0.000 0.984 263 R CA -0.481 55.764 56.100 0.241 0.000 0.999 263 R CB 1.659 32.026 30.300 0.111 0.000 1.114 263 R HN 0.562 nan 8.270 nan 0.000 0.493 264 A N 0.364 123.221 122.820 0.062 0.000 2.252 264 A HA 0.749 5.069 4.320 -0.000 0.000 0.305 264 A C 0.078 177.667 177.584 0.008 0.000 1.097 264 A CA 0.166 52.224 52.037 0.036 0.000 0.849 264 A CB 0.762 19.777 19.000 0.025 0.000 1.142 264 A HN 0.812 nan 8.150 nan 0.000 0.499 265 G N -0.697 108.107 108.800 0.007 0.000 2.663 265 G HA2 0.351 4.311 3.960 -0.000 0.000 0.686 265 G HA3 0.351 4.311 3.960 -0.000 0.000 0.686 265 G C -0.019 174.880 174.900 -0.002 0.000 1.246 265 G CA 0.054 45.152 45.100 -0.003 0.000 0.795 265 G HN 2.324 nan 8.290 nan 0.000 0.627 266 T N -2.085 112.466 114.554 -0.004 0.000 2.939 266 T HA 0.384 4.734 4.350 -0.000 0.000 0.319 266 T C 0.599 175.291 174.700 -0.014 0.000 1.082 266 T CA 0.248 62.345 62.100 -0.006 0.000 1.133 266 T CB 1.206 70.072 68.868 -0.004 0.000 1.019 266 T HN 1.616 nan 8.240 nan 0.000 0.548 267 V N 4.456 124.360 119.914 -0.017 0.000 2.364 267 V HA 0.468 4.588 4.120 -0.000 0.000 0.272 267 V C 1.652 177.734 176.094 -0.021 0.000 1.036 267 V CA 0.051 62.335 62.300 -0.027 0.000 0.880 267 V CB 0.519 32.318 31.823 -0.040 0.000 0.991 267 V HN 1.207 nan 8.190 nan 0.000 0.460 268 G N 4.341 113.127 108.800 -0.023 0.000 2.666 268 G HA2 -0.154 3.806 3.960 -0.000 0.000 0.215 268 G HA3 -0.154 3.806 3.960 -0.000 0.000 0.215 268 G C 0.496 175.386 174.900 -0.017 0.000 1.294 268 G CA 0.130 45.219 45.100 -0.020 0.000 0.811 268 G HN 0.745 nan 8.290 nan 0.000 0.594 269 E N 2.020 122.208 120.200 -0.021 0.000 1.833 269 E HA 0.285 4.635 4.350 -0.000 0.000 0.258 269 E C 0.458 177.051 176.600 -0.011 0.000 1.257 269 E CA -0.126 56.264 56.400 -0.016 0.000 1.003 269 E CB -0.092 29.595 29.700 -0.022 0.000 1.068 269 E HN 0.434 nan 8.360 nan 0.000 0.422 270 T N -1.239 113.314 114.554 -0.000 0.000 2.937 270 T HA 0.076 4.426 4.350 -0.000 0.000 0.316 270 T C 0.580 175.300 174.700 0.033 0.000 1.079 270 T CA -0.918 61.190 62.100 0.014 0.000 1.131 270 T CB 0.786 69.670 68.868 0.026 0.000 1.000 270 T HN 0.028 nan 8.240 nan 0.000 0.549 271 V N 4.673 124.622 119.914 0.057 0.000 2.530 271 V HA 0.274 4.394 4.120 -0.000 0.000 0.282 271 V C -1.860 174.337 176.094 0.172 0.000 1.048 271 V CA -1.590 60.770 62.300 0.101 0.000 0.997 271 V CB 0.388 32.276 31.823 0.107 0.000 0.987 271 V HN 0.842 nan 8.190 nan 0.000 0.477 272 P HA 0.237 nan 4.420 nan 0.000 0.273 272 P C 0.621 177.934 177.300 0.022 0.000 1.319 272 P CA -0.194 62.946 63.100 0.067 0.000 0.885 272 P CB 0.804 32.526 31.700 0.036 0.000 1.015 273 A N 3.739 126.521 122.820 -0.063 0.000 2.255 273 A HA -0.207 4.113 4.320 -0.000 0.000 0.218 273 A C 1.525 178.825 177.584 -0.473 0.000 1.175 273 A CA 1.645 53.444 52.037 -0.397 0.000 0.682 273 A CB -0.775 18.044 19.000 -0.302 0.000 0.784 273 A HN 0.595 nan 8.150 nan 0.000 0.482 274 D N -0.844 119.427 120.400 -0.214 0.000 2.340 274 D HA 0.036 4.676 4.640 -0.000 0.000 0.220 274 D C 1.209 177.454 176.300 -0.092 0.000 1.039 274 D CA 0.114 54.023 54.000 -0.151 0.000 0.866 274 D CB -0.131 40.621 40.800 -0.080 0.000 0.913 274 D HN 0.521 nan 8.370 nan 0.000 0.523 275 L N -0.296 120.897 121.223 -0.051 0.000 2.607 275 L HA 0.164 4.504 4.340 -0.000 0.000 0.228 275 L C -0.186 176.806 176.870 0.204 0.000 1.123 275 L CA -0.154 54.739 54.840 0.087 0.000 0.890 275 L CB -0.066 42.087 42.059 0.157 0.000 1.103 275 L HN 0.111 nan 8.230 nan 0.000 0.468 276 Y N -3.214 117.083 120.300 -0.006 0.000 2.656 276 Y HA 0.575 5.125 4.550 -0.000 0.000 0.334 276 Y C -0.855 175.038 175.900 -0.011 0.000 1.179 276 Y CA -1.693 56.402 58.100 -0.008 0.000 1.050 276 Y CB 0.668 39.122 38.460 -0.010 0.000 1.308 276 Y HN -0.250 nan 8.280 nan 0.000 0.456 277 I N 2.961 123.617 120.570 0.144 0.000 2.365 277 I HA 0.224 4.394 4.170 -0.000 0.000 0.291 277 I C -0.070 176.123 176.117 0.126 0.000 1.004 277 I CA -1.097 60.224 61.300 0.034 0.000 1.311 277 I CB 1.125 39.146 38.000 0.035 0.000 1.401 277 I HN 0.460 nan 8.210 nan 0.000 0.491 278 K N 5.076 125.487 120.400 0.019 0.000 2.365 278 K HA -0.015 4.305 4.320 -0.000 0.000 0.268 278 K C 0.196 176.853 176.600 0.095 0.000 1.173 278 K CA 0.060 56.400 56.287 0.089 0.000 1.204 278 K CB -0.075 32.430 32.500 0.009 0.000 0.832 278 K HN 0.865 nan 8.250 nan 0.000 0.481 279 G N 2.151 111.022 108.800 0.118 0.000 2.377 279 G HA2 0.148 4.108 3.960 -0.000 0.000 0.299 279 G HA3 0.148 4.108 3.960 -0.000 0.000 0.299 279 G C -0.233 174.683 174.900 0.027 0.000 1.150 279 G CA -0.392 44.733 45.100 0.041 0.000 0.847 279 G HN 0.447 nan 8.290 nan 0.000 0.501 280 T N 0.420 114.986 114.554 0.021 0.000 2.913 280 T HA 0.441 4.791 4.350 -0.000 0.000 0.297 280 T C 0.440 175.161 174.700 0.036 0.000 1.029 280 T CA 0.779 62.897 62.100 0.030 0.000 1.104 280 T CB -0.065 68.821 68.868 0.030 0.000 0.964 280 T HN 1.142 nan 8.240 nan 0.000 0.532 281 T N 1.936 116.525 114.554 0.059 0.000 1.969 281 T HA 0.234 4.584 4.350 -0.000 0.000 0.592 281 T C -0.035 174.739 174.700 0.122 0.000 0.903 281 T CA 0.442 62.605 62.100 0.105 0.000 3.149 281 T CB -1.772 67.180 68.868 0.141 0.000 1.870 281 T HN 1.597 nan 8.240 nan 0.000 0.458 282 G N 1.240 110.115 108.800 0.124 0.000 2.322 282 G HA2 0.427 4.387 3.960 -0.000 0.000 0.289 282 G HA3 0.427 4.387 3.960 -0.000 0.000 0.289 282 G C -0.283 174.668 174.900 0.085 0.000 1.687 282 G CA -0.095 45.083 45.100 0.129 0.000 0.944 282 G HN 0.652 nan 8.290 nan 0.000 0.718 283 T N 1.644 116.260 114.554 0.105 0.000 3.269 283 T HA 0.420 4.770 4.350 -0.000 0.000 0.269 283 T C 0.433 175.155 174.700 0.037 0.000 0.993 283 T CA 0.197 62.338 62.100 0.069 0.000 0.909 283 T CB -0.324 68.589 68.868 0.075 0.000 1.115 283 T HN 1.735 nan 8.240 nan 0.000 0.543 284 L N 2.948 124.164 121.223 -0.011 0.000 3.092 284 L HA -0.095 4.245 4.340 -0.000 0.000 0.617 284 L C -1.821 175.019 176.870 -0.050 0.000 1.006 284 L CA -0.579 54.202 54.840 -0.099 0.000 1.302 284 L CB -0.571 41.400 42.059 -0.146 0.000 1.573 284 L HN 0.195 nan 8.230 nan 0.000 0.771 285 P HA 0.073 nan 4.420 nan 0.000 0.270 285 P C -0.084 177.224 177.300 0.012 0.000 1.227 285 P CA -0.050 63.090 63.100 0.068 0.000 0.788 285 P CB 0.806 32.568 31.700 0.104 0.000 0.926 286 S N 0.122 115.848 115.700 0.043 0.000 2.558 286 S HA 0.045 4.515 4.470 -0.000 0.000 0.293 286 S C 0.846 175.338 174.600 -0.180 0.000 1.292 286 S CA 0.365 58.549 58.200 -0.025 0.000 1.063 286 S CB -0.549 62.671 63.200 0.033 0.000 0.831 286 S HN 0.532 nan 8.310 nan 0.000 0.499 287 T N 2.309 116.654 114.554 -0.348 0.000 3.003 287 T HA 0.117 4.467 4.350 -0.000 0.000 0.261 287 T C 0.493 174.661 174.700 -0.885 0.000 1.003 287 T CA 0.132 61.756 62.100 -0.793 0.000 0.917 287 T CB -0.020 68.608 68.868 -0.399 0.000 1.084 287 T HN 0.759 nan 8.240 nan 0.000 0.522 288 S N 2.402 117.860 115.700 -0.403 0.000 2.670 288 S HA 0.260 4.730 4.470 -0.000 0.000 0.328 288 S C -0.563 174.041 174.600 0.006 0.000 1.179 288 S CA -0.665 57.424 58.200 -0.185 0.000 1.194 288 S CB -1.011 62.161 63.200 -0.045 0.000 1.359 288 S HN 0.436 nan 8.310 nan 0.000 0.555 289 Y N 2.362 122.774 120.300 0.188 0.000 2.457 289 Y HA 0.702 5.252 4.550 -0.000 0.000 0.333 289 Y C -0.029 176.060 175.900 0.315 0.000 1.119 289 Y CA -1.710 56.523 58.100 0.221 0.000 1.143 289 Y CB 1.400 39.918 38.460 0.096 0.000 1.230 289 Y HN 0.733 nan 8.280 nan 0.000 0.469 290 F N 1.574 121.688 119.950 0.274 0.000 2.628 290 F HA 0.767 5.294 4.527 -0.000 0.000 0.309 290 F C -3.542 172.345 175.800 0.145 0.000 1.108 290 F CA -2.376 55.743 58.000 0.199 0.000 0.971 290 F CB 2.066 41.231 39.000 0.274 0.000 1.279 290 F HN 0.119 nan 8.300 nan 0.000 0.441 291 P HA 0.383 nan 4.420 nan 0.000 0.289 291 P C -1.334 175.858 177.300 -0.181 0.000 1.302 291 P CA -0.424 62.562 63.100 -0.189 0.000 0.923 291 P CB 2.664 34.289 31.700 -0.125 0.000 1.238 292 T N 3.049 117.515 114.554 -0.146 0.000 2.758 292 T HA 0.406 4.756 4.350 -0.000 0.000 0.285 292 T C -2.071 172.564 174.700 -0.108 0.000 0.981 292 T CA -1.408 60.686 62.100 -0.010 0.000 0.965 292 T CB 0.967 69.891 68.868 0.094 0.000 0.927 292 T HN 0.395 nan 8.240 nan 0.000 0.448 293 P HA 0.445 nan 4.420 nan 0.000 0.297 293 P C -0.786 176.345 177.300 -0.282 0.000 1.303 293 P CA -0.592 62.405 63.100 -0.171 0.000 0.753 293 P CB 0.810 32.466 31.700 -0.074 0.000 1.281 294 S N -2.422 113.000 115.700 -0.463 0.000 2.586 294 S HA 0.421 4.891 4.470 -0.000 0.000 0.296 294 S C 0.771 175.147 174.600 -0.373 0.000 1.120 294 S CA -0.173 57.715 58.200 -0.521 0.000 0.927 294 S CB -0.115 62.472 63.200 -1.022 0.000 1.114 294 S HN 0.563 nan 8.310 nan 0.000 0.453 295 G N 2.178 110.927 108.800 -0.085 0.000 2.679 295 G HA2 0.228 4.188 3.960 -0.000 0.000 0.212 295 G HA3 0.228 4.188 3.960 -0.000 0.000 0.212 295 G C 1.002 175.965 174.900 0.106 0.000 1.137 295 G CA 1.054 46.176 45.100 0.037 0.000 0.787 295 G HN 1.743 nan 8.290 nan 0.000 0.534 296 S N -1.323 114.461 115.700 0.141 0.000 4.155 296 S HA -0.314 4.156 4.470 -0.000 0.000 0.576 296 S C 0.398 175.095 174.600 0.161 0.000 1.870 296 S CA 1.575 59.955 58.200 0.300 0.000 4.248 296 S CB -1.236 62.181 63.200 0.361 0.000 0.215 296 S HN 0.700 nan 8.310 nan 0.000 0.460 297 M N 2.062 121.738 119.600 0.127 0.000 2.327 297 M HA 0.594 5.074 4.480 -0.000 0.000 0.298 297 M C -0.923 175.416 176.300 0.065 0.000 1.065 297 M CA -0.630 54.721 55.300 0.084 0.000 0.916 297 M CB 1.809 34.450 32.600 0.070 0.000 1.630 297 M HN 0.658 nan 8.290 nan 0.000 0.442 298 V N 1.576 121.522 119.914 0.054 0.000 2.644 298 V HA 0.946 5.066 4.120 -0.000 0.000 0.295 298 V C -0.269 175.844 176.094 0.032 0.000 1.053 298 V CA -0.261 62.066 62.300 0.044 0.000 0.987 298 V CB 1.110 32.960 31.823 0.046 0.000 1.006 298 V HN 0.935 nan 8.190 nan 0.000 0.472 299 T N -0.387 114.182 114.554 0.025 0.000 3.041 299 T HA 0.382 4.732 4.350 -0.000 0.000 0.321 299 T C 0.748 175.455 174.700 0.011 0.000 1.184 299 T CA 0.171 62.282 62.100 0.017 0.000 1.050 299 T CB 1.551 70.427 68.868 0.014 0.000 1.159 299 T HN 0.684 nan 8.240 nan 0.000 0.469 300 S N 2.021 117.727 115.700 0.011 0.000 2.408 300 S HA -0.247 4.223 4.470 -0.000 0.000 0.241 300 S C 1.550 176.152 174.600 0.002 0.000 1.080 300 S CA 2.338 60.543 58.200 0.008 0.000 1.109 300 S CB -0.606 62.598 63.200 0.006 0.000 0.966 300 S HN 0.891 nan 8.310 nan 0.000 0.449 301 D N 1.567 121.967 120.400 0.001 0.000 2.144 301 D HA -0.042 4.598 4.640 -0.000 0.000 0.200 301 D C 2.264 178.558 176.300 -0.009 0.000 0.978 301 D CA 1.128 55.126 54.000 -0.002 0.000 0.833 301 D CB -0.383 40.417 40.800 -0.001 0.000 0.961 301 D HN 0.472 nan 8.370 nan 0.000 0.470 302 A N 1.672 124.486 122.820 -0.011 0.000 1.903 302 A HA -0.204 4.116 4.320 -0.000 0.000 0.219 302 A C 1.217 178.770 177.584 -0.051 0.000 1.191 302 A CA 1.034 53.056 52.037 -0.024 0.000 0.638 302 A CB -0.655 18.337 19.000 -0.013 0.000 0.823 302 A HN 0.162 nan 8.150 nan 0.000 0.451 303 Q N -0.475 119.297 119.800 -0.046 0.000 3.520 303 Q HA -0.139 4.201 4.340 -0.000 0.000 0.395 303 Q C 0.645 176.567 176.000 -0.130 0.000 1.035 303 Q CA 0.680 56.437 55.803 -0.077 0.000 1.260 303 Q CB 0.028 28.755 28.738 -0.018 0.000 1.061 303 Q HN 0.724 nan 8.270 nan 0.000 0.469 304 I N 2.541 122.915 120.570 -0.326 0.000 3.860 304 I HA 0.057 4.227 4.170 -0.000 0.000 0.319 304 I C -0.064 175.944 176.117 -0.181 0.000 1.279 304 I CA 0.200 61.299 61.300 -0.335 0.000 1.220 304 I CB 0.366 38.038 38.000 -0.546 0.000 1.027 304 I HN 0.359 nan 8.210 nan 0.000 0.428 305 F N 0.539 120.565 119.950 0.126 0.000 2.535 305 F HA 0.338 4.865 4.527 -0.000 0.000 0.367 305 F C 1.211 177.003 175.800 -0.015 0.000 1.096 305 F CA -0.809 57.252 58.000 0.102 0.000 1.088 305 F CB 0.289 39.325 39.000 0.060 0.000 1.387 305 F HN -0.079 nan 8.300 nan 0.000 0.494 306 N N -0.375 118.408 118.700 0.138 0.000 2.741 306 N HA -0.212 4.528 4.740 -0.000 0.000 0.251 306 N C -1.445 174.003 175.510 -0.105 0.000 1.112 306 N CA 0.659 53.691 53.050 -0.030 0.000 0.750 306 N CB -0.933 37.554 38.487 0.001 0.000 1.119 306 N HN 0.401 nan 8.380 nan 0.000 0.561 307 K N -0.208 120.070 120.400 -0.204 0.000 2.426 307 K HA 0.508 4.828 4.320 -0.000 0.000 0.251 307 K C -2.756 173.462 176.600 -0.636 0.000 0.941 307 K CA -1.847 54.274 56.287 -0.277 0.000 0.808 307 K CB 2.441 34.860 32.500 -0.135 0.000 1.265 307 K HN -0.180 nan 8.250 nan 0.000 0.432 308 P HA 0.143 nan 4.420 nan 0.000 0.284 308 P C -1.424 175.250 177.300 -1.043 0.000 1.253 308 P CA -0.219 62.328 63.100 -0.922 0.000 0.800 308 P CB 0.377 31.607 31.700 -0.784 0.000 0.961 309 Y N 0.504 120.318 120.300 -0.811 0.000 2.341 309 Y HA 0.374 4.924 4.550 -0.000 0.000 0.338 309 Y C -0.205 175.237 175.900 -0.763 0.000 0.965 309 Y CA -0.799 56.916 58.100 -0.642 0.000 1.108 309 Y CB 1.397 39.494 38.460 -0.606 0.000 1.180 309 Y HN 0.335 nan 8.280 nan 0.000 0.458 310 W N 5.516 126.834 121.300 0.031 0.000 2.289 310 W HA 0.457 5.117 4.660 -0.000 0.000 0.342 310 W C -0.537 175.969 176.519 -0.022 0.000 0.958 310 W CA -1.062 56.281 57.345 -0.004 0.000 1.492 310 W CB 0.570 30.052 29.460 0.038 0.000 1.336 310 W HN 0.422 nan 8.180 nan 0.000 0.371 311 L N 1.977 123.238 121.223 0.063 0.000 2.505 311 L HA 0.115 4.455 4.340 -0.000 0.000 0.275 311 L C 1.431 178.359 176.870 0.096 0.000 1.264 311 L CA 0.081 54.940 54.840 0.032 0.000 1.148 311 L CB -0.243 41.750 42.059 -0.110 0.000 1.377 311 L HN 0.561 nan 8.230 nan 0.000 0.442 312 Q N 1.197 121.086 119.800 0.148 0.000 2.061 312 Q HA 0.130 4.470 4.340 -0.000 0.000 0.195 312 Q C 0.179 176.229 176.000 0.083 0.000 0.967 312 Q CA 0.311 56.186 55.803 0.120 0.000 0.829 312 Q CB 0.024 28.831 28.738 0.115 0.000 0.900 312 Q HN 0.525 nan 8.270 nan 0.000 0.450 313 R N 0.616 121.170 120.500 0.091 0.000 2.562 313 R HA 0.629 4.969 4.340 -0.000 0.000 0.298 313 R C -1.056 175.303 176.300 0.098 0.000 0.961 313 R CA -0.021 56.123 56.100 0.073 0.000 0.881 313 R CB 1.835 32.173 30.300 0.064 0.000 1.159 313 R HN 0.391 nan 8.270 nan 0.000 0.450 314 A N 1.738 124.610 122.820 0.087 0.000 2.272 314 A HA 0.228 4.548 4.320 -0.000 0.000 0.275 314 A C 0.750 178.431 177.584 0.163 0.000 1.096 314 A CA -0.338 51.789 52.037 0.150 0.000 0.822 314 A CB 0.529 19.622 19.000 0.155 0.000 1.088 314 A HN 0.841 nan 8.150 nan 0.000 0.495 315 Q N 0.586 120.519 119.800 0.222 0.000 2.049 315 Q HA 0.206 4.546 4.340 -0.000 0.000 0.198 315 Q C 1.041 177.111 176.000 0.116 0.000 0.971 315 Q CA 1.563 57.468 55.803 0.170 0.000 0.833 315 Q CB -0.660 28.210 28.738 0.219 0.000 0.896 315 Q HN 0.750 nan 8.270 nan 0.000 0.434 316 G N -0.791 108.107 108.800 0.163 0.000 2.849 316 G HA2 0.245 4.205 3.960 -0.000 0.000 0.174 316 G HA3 0.245 4.205 3.960 -0.000 0.000 0.174 316 G C -0.156 174.769 174.900 0.041 0.000 1.370 316 G CA -0.058 45.094 45.100 0.085 0.000 1.040 316 G HN 0.342 nan 8.290 nan 0.000 0.582 317 H N -0.699 118.503 119.070 0.221 0.000 2.482 317 H HA 0.122 4.678 4.556 -0.000 0.000 0.286 317 H C 0.942 176.437 175.328 0.279 0.000 1.017 317 H CA 0.265 56.454 56.048 0.236 0.000 1.322 317 H CB 0.213 30.127 29.762 0.254 0.000 1.426 317 H HN 0.193 nan 8.280 nan 0.000 0.546 318 N N 1.895 120.863 118.700 0.448 0.000 2.399 318 N HA -0.075 4.665 4.740 -0.000 0.000 0.259 318 N C -0.704 174.967 175.510 0.269 0.000 1.160 318 N CA 0.043 53.349 53.050 0.428 0.000 0.946 318 N CB 0.002 38.839 38.487 0.584 0.000 1.156 318 N HN 0.220 nan 8.380 nan 0.000 0.489 319 N N 2.631 121.391 118.700 0.100 0.000 3.050 319 N HA 0.089 4.829 4.740 -0.000 0.000 0.289 319 N C 0.389 175.747 175.510 -0.253 0.000 1.209 319 N CA 0.192 53.218 53.050 -0.040 0.000 1.154 319 N CB -0.360 38.110 38.487 -0.028 0.000 1.444 319 N HN 0.760 nan 8.380 nan 0.000 0.529 320 G N 2.298 110.703 108.800 -0.657 0.000 2.366 320 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.299 320 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.299 320 G C 0.161 174.826 174.900 -0.391 0.000 1.020 320 G CA -0.211 44.224 45.100 -1.109 0.000 1.026 320 G HN 0.516 nan 8.290 nan 0.000 0.512 321 I N 0.787 121.213 120.570 -0.239 0.000 2.282 321 I HA 0.103 4.273 4.170 -0.000 0.000 0.290 321 I C 1.118 176.991 176.117 -0.406 0.000 1.090 321 I CA -0.683 60.363 61.300 -0.423 0.000 1.231 321 I CB 0.610 38.162 38.000 -0.746 0.000 1.434 321 I HN 0.224 nan 8.210 nan 0.000 0.487 322 C N 5.464 124.685 119.300 -0.132 0.000 2.996 322 C HA -0.008 4.452 4.460 -0.000 0.000 0.419 322 C C 0.647 175.636 174.990 -0.001 0.000 1.081 322 C CA -1.098 57.940 59.018 0.034 0.000 1.160 322 C CB -2.555 25.255 27.740 0.117 0.000 1.687 322 C HN 0.564 nan 8.230 nan 0.000 0.575 323 W N 1.486 122.873 121.300 0.145 0.000 2.223 323 W HA 0.253 4.913 4.660 0.000 0.000 0.334 323 W C 1.290 177.820 176.519 0.019 0.000 1.334 323 W CA 0.440 57.821 57.345 0.059 0.000 1.246 323 W CB 0.136 29.605 29.460 0.014 0.000 1.184 323 W HN 0.734 nan 8.180 nan 0.000 0.563 324 S N 2.429 118.282 115.700 0.255 0.000 3.672 324 S HA -0.288 4.182 4.470 -0.000 0.000 0.319 324 S C -0.059 174.598 174.600 0.096 0.000 1.151 324 S CA 0.762 59.025 58.200 0.105 0.000 0.911 324 S CB -1.916 61.328 63.200 0.075 0.000 0.939 324 S HN 0.764 nan 8.310 nan 0.000 0.524 325 N N 0.187 118.945 118.700 0.098 0.000 2.725 325 N HA -0.186 4.554 4.740 -0.000 0.000 0.251 325 N C -0.325 175.181 175.510 -0.007 0.000 1.031 325 N CA 1.420 54.489 53.050 0.033 0.000 0.720 325 N CB -0.699 37.789 38.487 0.002 0.000 0.930 325 N HN 0.833 nan 8.380 nan 0.000 0.543 326 Q N -0.276 119.545 119.800 0.036 0.000 2.345 326 Q HA 0.695 5.035 4.340 -0.000 0.000 0.275 326 Q C -1.032 174.991 176.000 0.038 0.000 1.063 326 Q CA -0.567 55.247 55.803 0.018 0.000 0.819 326 Q CB 2.431 31.231 28.738 0.103 0.000 1.356 326 Q HN 0.230 nan 8.270 nan 0.000 0.418 327 L N 1.998 123.137 121.223 -0.140 0.000 2.465 327 L HA 0.587 4.927 4.340 -0.000 0.000 0.257 327 L C -1.684 174.991 176.870 -0.324 0.000 0.988 327 L CA -0.695 54.103 54.840 -0.069 0.000 0.827 327 L CB 2.156 44.128 42.059 -0.146 0.000 1.397 327 L HN 0.655 nan 8.230 nan 0.000 0.410 328 F N 1.661 121.591 119.950 -0.034 0.000 2.612 328 F HA 0.380 4.907 4.527 -0.000 0.000 0.332 328 F C -0.281 175.539 175.800 0.034 0.000 1.167 328 F CA -0.571 57.386 58.000 -0.073 0.000 0.970 328 F CB 1.966 40.852 39.000 -0.190 0.000 1.234 328 F HN -0.106 nan 8.300 nan 0.000 0.453 329 V N 2.993 123.031 119.914 0.207 0.000 2.294 329 V HA 0.351 4.471 4.120 -0.000 0.000 0.272 329 V C -0.112 176.160 176.094 0.296 0.000 1.027 329 V CA -0.493 61.997 62.300 0.317 0.000 0.823 329 V CB 1.121 33.179 31.823 0.393 0.000 1.030 329 V HN 0.705 nan 8.190 nan 0.000 0.457 330 T N 4.700 119.396 114.554 0.236 0.000 2.744 330 T HA 0.566 4.916 4.350 -0.000 0.000 0.291 330 T C -0.252 174.566 174.700 0.196 0.000 0.957 330 T CA -0.315 61.887 62.100 0.170 0.000 1.002 330 T CB 1.451 70.412 68.868 0.155 0.000 0.919 330 T HN 0.314 nan 8.240 nan 0.000 0.468 331 V N 4.671 124.659 119.914 0.122 0.000 2.482 331 V HA 0.396 4.516 4.120 -0.000 0.000 0.295 331 V C -0.409 175.755 176.094 0.116 0.000 1.026 331 V CA -0.714 61.691 62.300 0.176 0.000 0.856 331 V CB 1.920 33.862 31.823 0.199 0.000 1.001 331 V HN 0.717 nan 8.190 nan 0.000 0.424 332 V N 3.863 123.861 119.914 0.141 0.000 2.483 332 V HA 0.626 4.746 4.120 -0.000 0.000 0.295 332 V C -0.706 175.561 176.094 0.287 0.000 1.035 332 V CA -0.423 61.924 62.300 0.079 0.000 0.896 332 V CB 2.035 33.770 31.823 -0.147 0.000 0.986 332 V HN 0.907 nan 8.190 nan 0.000 0.447 333 D N 2.444 123.008 120.400 0.272 0.000 2.602 333 D HA 0.253 4.893 4.640 -0.000 0.000 0.245 333 D C 0.647 177.085 176.300 0.230 0.000 1.325 333 D CA -0.212 53.999 54.000 0.352 0.000 0.952 333 D CB 2.045 43.134 40.800 0.481 0.000 1.317 333 D HN 0.597 nan 8.370 nan 0.000 0.577 334 T N -0.375 114.291 114.554 0.187 0.000 3.188 334 T HA 0.015 4.365 4.350 -0.000 0.000 0.250 334 T C 1.560 176.346 174.700 0.144 0.000 1.077 334 T CA 0.659 62.862 62.100 0.171 0.000 0.967 334 T CB -0.165 68.800 68.868 0.161 0.000 1.006 334 T HN 0.380 nan 8.240 nan 0.000 0.552 335 T N 0.122 114.762 114.554 0.144 0.000 3.043 335 T HA 0.102 4.452 4.350 -0.000 0.000 0.263 335 T C 1.495 176.250 174.700 0.091 0.000 1.094 335 T CA 0.016 62.180 62.100 0.107 0.000 1.127 335 T CB -0.219 68.706 68.868 0.096 0.000 0.905 335 T HN 0.388 nan 8.240 nan 0.000 0.490 336 R N 1.572 122.139 120.500 0.112 0.000 2.767 336 R HA 0.270 4.610 4.340 -0.000 0.000 0.377 336 R C 0.960 177.332 176.300 0.120 0.000 1.151 336 R CA 0.159 56.314 56.100 0.091 0.000 1.046 336 R CB 0.453 30.805 30.300 0.087 0.000 1.404 336 R HN 0.485 nan 8.270 nan 0.000 0.580 337 S N -0.617 115.147 115.700 0.107 0.000 2.803 337 S HA -0.030 4.440 4.470 -0.000 0.000 0.228 337 S C 0.707 175.201 174.600 -0.176 0.000 0.953 337 S CA -0.543 57.722 58.200 0.108 0.000 0.983 337 S CB -0.400 62.905 63.200 0.175 0.000 0.784 337 S HN 0.181 nan 8.310 nan 0.000 0.498 338 T N 1.984 116.411 114.554 -0.212 0.000 2.867 338 T HA 0.189 4.539 4.350 -0.000 0.000 0.297 338 T C -0.275 174.143 174.700 -0.470 0.000 0.989 338 T CA -0.613 61.334 62.100 -0.256 0.000 1.159 338 T CB -0.338 68.448 68.868 -0.137 0.000 0.928 338 T HN 0.515 nan 8.240 nan 0.000 0.538 339 N N 3.804 122.295 118.700 -0.349 0.000 2.439 339 N HA 0.349 5.089 4.740 -0.000 0.000 0.249 339 N C 0.352 175.756 175.510 -0.177 0.000 1.003 339 N CA -0.760 52.107 53.050 -0.304 0.000 0.942 339 N CB 0.870 39.192 38.487 -0.276 0.000 1.115 339 N HN 0.729 nan 8.380 nan 0.000 0.505 340 M N 0.357 119.875 119.600 -0.136 0.000 2.246 340 M HA 0.230 4.710 4.480 -0.000 0.000 0.350 340 M C -0.355 175.904 176.300 -0.069 0.000 1.406 340 M CA -0.204 55.048 55.300 -0.080 0.000 1.089 340 M CB 0.318 32.886 32.600 -0.052 0.000 1.782 340 M HN 0.376 nan 8.290 nan 0.000 0.457 341 S N 3.470 119.143 115.700 -0.046 0.000 2.508 341 S HA 0.657 5.127 4.470 -0.000 0.000 0.284 341 S C -0.079 174.534 174.600 0.021 0.000 1.192 341 S CA -0.920 57.268 58.200 -0.020 0.000 1.070 341 S CB 1.557 64.746 63.200 -0.019 0.000 1.004 341 S HN 0.850 nan 8.310 nan 0.000 0.493 342 V N 0.391 120.346 119.914 0.069 0.000 2.398 342 V HA 0.647 4.767 4.120 -0.000 0.000 0.286 342 V C -0.051 176.155 176.094 0.186 0.000 1.026 342 V CA -0.973 61.387 62.300 0.100 0.000 0.868 342 V CB 0.267 32.136 31.823 0.077 0.000 0.982 342 V HN 1.091 nan 8.190 nan 0.000 0.443 343 C N 5.239 124.627 119.300 0.146 0.000 2.281 343 C HA 0.799 5.259 4.460 -0.000 0.000 0.325 343 C C 0.449 175.581 174.990 0.238 0.000 1.282 343 C CA 0.304 59.435 59.018 0.190 0.000 1.640 343 C CB 0.227 28.029 27.740 0.102 0.000 2.288 343 C HN 1.182 nan 8.230 nan 0.000 0.507 344 S N 3.668 119.552 115.700 0.307 0.000 2.566 344 S HA 0.877 5.347 4.470 -0.000 0.000 0.298 344 S C -0.384 174.373 174.600 0.260 0.000 1.083 344 S CA -0.247 58.104 58.200 0.251 0.000 0.978 344 S CB 1.569 64.883 63.200 0.190 0.000 1.073 344 S HN 1.272 nan 8.310 nan 0.000 0.491 345 A N 2.507 125.416 122.820 0.149 0.000 2.324 345 A HA 0.615 4.935 4.320 -0.000 0.000 0.330 345 A C 0.847 178.359 177.584 -0.120 0.000 1.165 345 A CA -0.666 51.323 52.037 -0.079 0.000 0.813 345 A CB 0.979 19.934 19.000 -0.075 0.000 1.197 345 A HN 0.830 nan 8.150 nan 0.000 0.484 346 V N 1.190 120.967 119.914 -0.227 0.000 2.809 346 V HA 0.024 4.144 4.120 -0.000 0.000 0.256 346 V C 0.822 176.842 176.094 -0.123 0.000 1.080 346 V CA 1.795 64.011 62.300 -0.139 0.000 1.102 346 V CB -1.141 30.595 31.823 -0.144 0.000 0.705 346 V HN 1.231 nan 8.190 nan 0.000 0.475 347 S N -1.225 114.374 115.700 -0.169 0.000 2.546 347 S HA 0.141 4.611 4.470 -0.000 0.000 0.303 347 S C -0.102 174.420 174.600 -0.131 0.000 1.067 347 S CA -0.010 58.120 58.200 -0.117 0.000 0.944 347 S CB 0.892 64.034 63.200 -0.095 0.000 1.155 347 S HN 0.310 nan 8.310 nan 0.000 0.449 348 S N 1.447 117.108 115.700 -0.066 0.000 2.768 348 S HA 0.201 4.671 4.470 -0.000 0.000 0.246 348 S C 1.086 175.678 174.600 -0.014 0.000 1.006 348 S CA 0.035 58.221 58.200 -0.023 0.000 1.075 348 S CB -0.758 62.452 63.200 0.016 0.000 0.786 348 S HN 1.230 nan 8.310 nan 0.000 0.468 349 S N -0.270 115.409 115.700 -0.036 0.000 2.540 349 S HA 0.188 4.658 4.470 -0.000 0.000 0.218 349 S C -0.209 174.380 174.600 -0.018 0.000 0.977 349 S CA -0.596 57.591 58.200 -0.022 0.000 0.918 349 S CB -0.002 63.181 63.200 -0.029 0.000 0.806 349 S HN 0.412 nan 8.310 nan 0.000 0.496 350 D N 2.386 122.771 120.400 -0.026 0.000 2.163 350 D HA 0.348 4.988 4.640 -0.000 0.000 0.248 350 D C 0.451 176.769 176.300 0.030 0.000 1.035 350 D CA -0.212 53.781 54.000 -0.012 0.000 0.872 350 D CB 1.826 42.599 40.800 -0.046 0.000 1.183 350 D HN 0.313 nan 8.370 nan 0.000 0.445 351 S N -0.586 115.137 115.700 0.038 0.000 2.539 351 S HA 0.115 4.585 4.470 -0.000 0.000 0.221 351 S C 0.253 174.903 174.600 0.082 0.000 0.987 351 S CA -0.243 57.992 58.200 0.059 0.000 0.929 351 S CB 0.057 63.282 63.200 0.042 0.000 0.832 351 S HN 0.350 nan 8.310 nan 0.000 0.492 352 T N 1.638 116.244 114.554 0.087 0.000 2.841 352 T HA 0.369 4.719 4.350 -0.000 0.000 0.285 352 T C -1.106 173.694 174.700 0.167 0.000 0.991 352 T CA -0.524 61.648 62.100 0.121 0.000 0.966 352 T CB 0.869 69.788 68.868 0.085 0.000 0.962 352 T HN 0.249 nan 8.240 nan 0.000 0.438 353 Y N 3.297 123.668 120.300 0.119 0.000 2.802 353 Y HA 0.148 4.698 4.550 -0.000 0.000 0.333 353 Y C 0.317 176.328 175.900 0.185 0.000 1.244 353 Y CA 0.563 58.773 58.100 0.184 0.000 1.558 353 Y CB 0.090 38.607 38.460 0.095 0.000 1.233 353 Y HN 0.471 nan 8.280 nan 0.000 0.547 354 K N 5.252 125.444 120.400 -0.346 0.000 2.565 354 K HA 0.184 4.504 4.320 -0.000 0.000 0.249 354 K C 0.122 176.581 176.600 -0.234 0.000 0.958 354 K CA -0.693 55.468 56.287 -0.210 0.000 0.806 354 K CB 1.511 33.947 32.500 -0.107 0.000 1.194 354 K HN 0.608 nan 8.250 nan 0.000 0.434 355 N N 1.371 119.989 118.700 -0.136 0.000 2.120 355 N HA -0.182 4.558 4.740 -0.000 0.000 0.188 355 N C 0.727 176.240 175.510 0.006 0.000 1.024 355 N CA 1.327 54.365 53.050 -0.020 0.000 0.852 355 N CB 0.109 38.625 38.487 0.049 0.000 1.003 355 N HN 0.534 nan 8.380 nan 0.000 0.424 356 D N 0.220 120.593 120.400 -0.045 0.000 2.172 356 D HA -0.177 4.463 4.640 -0.000 0.000 0.196 356 D C 1.076 177.289 176.300 -0.144 0.000 0.999 356 D CA 1.038 54.996 54.000 -0.069 0.000 0.856 356 D CB -0.470 40.289 40.800 -0.067 0.000 0.934 356 D HN 0.295 nan 8.370 nan 0.000 0.453 357 N N -1.031 117.499 118.700 -0.283 0.000 2.515 357 N HA -0.009 4.731 4.740 -0.000 0.000 0.191 357 N C -0.852 174.055 175.510 -1.005 0.000 1.182 357 N CA 0.096 52.800 53.050 -0.576 0.000 0.879 357 N CB 0.084 38.175 38.487 -0.660 0.000 0.984 357 N HN -0.058 nan 8.380 nan 0.000 0.453 358 F N -0.644 119.249 119.950 -0.094 0.000 2.603 358 F HA 0.516 5.043 4.527 -0.000 0.000 0.317 358 F C 0.028 175.812 175.800 -0.027 0.000 1.066 358 F CA -1.061 56.917 58.000 -0.037 0.000 0.941 358 F CB 1.633 40.617 39.000 -0.026 0.000 1.291 358 F HN -0.397 nan 8.300 nan 0.000 0.472 359 K N 1.937 122.467 120.400 0.216 0.000 2.656 359 K HA 0.204 4.524 4.320 -0.000 0.000 0.241 359 K C -1.217 175.376 176.600 -0.011 0.000 0.967 359 K CA -0.582 55.728 56.287 0.039 0.000 0.946 359 K CB 1.783 34.342 32.500 0.098 0.000 1.164 359 K HN 0.568 nan 8.250 nan 0.000 0.459 360 E N 2.617 122.753 120.200 -0.107 0.000 2.257 360 E HA 0.139 4.489 4.350 -0.000 0.000 0.278 360 E C -0.505 175.952 176.600 -0.238 0.000 1.049 360 E CA 0.134 56.499 56.400 -0.059 0.000 0.876 360 E CB 0.535 30.222 29.700 -0.022 0.000 1.035 360 E HN 0.307 nan 8.360 nan 0.000 0.419 361 Y N 1.156 121.474 120.300 0.030 0.000 2.621 361 Y HA 0.500 5.050 4.550 -0.000 0.000 0.334 361 Y C 0.307 176.150 175.900 -0.094 0.000 1.074 361 Y CA -0.897 57.206 58.100 0.005 0.000 1.149 361 Y CB 1.480 39.952 38.460 0.019 0.000 1.302 361 Y HN 0.284 nan 8.280 nan 0.000 0.501 362 L N 2.467 123.652 121.223 -0.063 0.000 2.365 362 L HA 0.652 4.992 4.340 -0.000 0.000 0.273 362 L C -0.972 175.681 176.870 -0.362 0.000 1.000 362 L CA -0.920 53.722 54.840 -0.330 0.000 0.819 362 L CB 1.537 43.171 42.059 -0.709 0.000 1.284 362 L HN 0.543 nan 8.230 nan 0.000 0.418 363 R N 2.062 122.425 120.500 -0.227 0.000 2.533 363 R HA 0.395 4.735 4.340 -0.000 0.000 0.288 363 R C -1.472 174.803 176.300 -0.042 0.000 1.039 363 R CA -0.778 55.247 56.100 -0.124 0.000 0.909 363 R CB 2.103 32.375 30.300 -0.047 0.000 1.195 363 R HN 0.701 nan 8.270 nan 0.000 0.438 364 H N -0.272 118.738 119.070 -0.100 0.000 2.622 364 H HA 0.737 5.293 4.556 -0.000 0.000 0.363 364 H C -0.713 174.622 175.328 0.012 0.000 1.151 364 H CA -0.871 55.151 56.048 -0.043 0.000 1.184 364 H CB 2.260 31.997 29.762 -0.043 0.000 1.643 364 H HN 0.757 nan 8.280 nan 0.000 0.531 365 G N 2.803 111.890 108.800 0.478 0.000 2.719 365 G HA2 0.292 4.252 3.960 -0.000 0.000 0.298 365 G HA3 0.292 4.252 3.960 -0.000 0.000 0.298 365 G C -1.515 173.519 174.900 0.222 0.000 1.433 365 G CA -0.543 44.694 45.100 0.229 0.000 1.034 365 G HN 0.544 nan 8.290 nan 0.000 0.517 366 E N 0.538 120.845 120.200 0.179 0.000 2.204 366 E HA 0.494 4.844 4.350 -0.000 0.000 0.276 366 E C -0.642 176.082 176.600 0.207 0.000 0.974 366 E CA -0.494 56.024 56.400 0.198 0.000 0.815 366 E CB 1.677 31.559 29.700 0.303 0.000 1.119 366 E HN 0.457 nan 8.360 nan 0.000 0.393 367 E N 2.962 123.175 120.200 0.021 0.000 2.185 367 E HA 0.289 4.639 4.350 -0.000 0.000 0.261 367 E C -1.340 175.087 176.600 -0.289 0.000 0.879 367 E CA -0.604 55.781 56.400 -0.024 0.000 0.756 367 E CB 0.724 30.401 29.700 -0.038 0.000 1.152 367 E HN 0.441 nan 8.360 nan 0.000 0.416 368 Y N 1.298 121.530 120.300 -0.114 0.000 2.562 368 Y HA 0.382 4.932 4.550 -0.000 0.000 0.343 368 Y C -0.443 175.301 175.900 -0.259 0.000 1.025 368 Y CA -1.087 56.860 58.100 -0.256 0.000 1.082 368 Y CB 1.969 40.148 38.460 -0.469 0.000 1.264 368 Y HN 0.442 nan 8.280 nan 0.000 0.478 369 D N 1.502 121.819 120.400 -0.137 0.000 2.575 369 D HA 0.489 5.129 4.640 -0.000 0.000 0.250 369 D C -1.849 174.268 176.300 -0.304 0.000 1.279 369 D CA -0.215 53.675 54.000 -0.184 0.000 0.925 369 D CB 0.826 41.536 40.800 -0.149 0.000 1.261 369 D HN 0.451 nan 8.370 nan 0.000 0.567 370 L N 3.088 124.074 121.223 -0.394 0.000 2.295 370 L HA 0.554 4.894 4.340 -0.000 0.000 0.285 370 L C 0.239 176.625 176.870 -0.806 0.000 1.035 370 L CA -0.586 53.891 54.840 -0.606 0.000 0.806 370 L CB 1.627 43.392 42.059 -0.490 0.000 1.214 370 L HN 0.354 nan 8.230 nan 0.000 0.426 371 Q N 2.269 121.379 119.800 -1.149 0.000 2.451 371 Q HA 0.723 5.062 4.340 -0.000 0.000 0.281 371 Q C -1.610 173.451 176.000 -1.566 0.000 1.099 371 Q CA -0.665 54.510 55.803 -1.047 0.000 0.806 371 Q CB 3.076 31.488 28.738 -0.544 0.000 1.419 371 Q HN 0.384 nan 8.270 nan 0.000 0.427 372 F N 0.107 119.639 119.950 -0.698 0.000 2.711 372 F HA 0.627 5.154 4.527 0.000 0.000 0.313 372 F C -0.797 174.449 175.800 -0.924 0.000 1.141 372 F CA -0.814 56.685 58.000 -0.836 0.000 0.941 372 F CB 1.599 39.947 39.000 -1.086 0.000 1.349 372 F HN 0.270 nan 8.300 nan 0.000 0.464 373 I N 1.653 121.801 120.570 -0.703 0.000 2.586 373 I HA 0.361 4.531 4.170 -0.000 0.000 0.288 373 I C -1.601 174.222 176.117 -0.490 0.000 1.147 373 I CA -0.234 60.741 61.300 -0.543 0.000 1.047 373 I CB 1.732 39.521 38.000 -0.352 0.000 1.244 373 I HN 0.338 nan 8.210 nan 0.000 0.429 374 F N 3.868 123.648 119.950 -0.283 0.000 2.538 374 F HA 0.556 5.083 4.527 -0.000 0.000 0.325 374 F C 0.183 175.930 175.800 -0.089 0.000 1.066 374 F CA -0.675 57.208 58.000 -0.196 0.000 0.946 374 F CB 1.543 40.340 39.000 -0.339 0.000 1.199 374 F HN 0.325 nan 8.300 nan 0.000 0.473 375 Q N 1.746 121.653 119.800 0.177 0.000 2.282 375 Q HA 0.512 4.852 4.340 -0.000 0.000 0.260 375 Q C -1.463 174.593 176.000 0.093 0.000 0.964 375 Q CA -1.196 54.511 55.803 -0.160 0.000 0.880 375 Q CB 2.097 30.570 28.738 -0.442 0.000 1.286 375 Q HN 0.683 nan 8.270 nan 0.000 0.445 376 L N 3.686 124.873 121.223 -0.060 0.000 2.319 376 L HA 0.350 4.690 4.340 -0.000 0.000 0.280 376 L C -1.319 175.349 176.870 -0.336 0.000 1.099 376 L CA 0.184 54.800 54.840 -0.373 0.000 0.828 376 L CB 0.573 42.256 42.059 -0.627 0.000 1.150 376 L HN 0.750 nan 8.230 nan 0.000 0.442 377 C N 4.000 123.089 119.300 -0.353 0.000 2.667 377 C HA 0.721 5.181 4.460 -0.000 0.000 0.323 377 C C -0.341 174.490 174.990 -0.264 0.000 1.214 377 C CA -1.070 57.803 59.018 -0.243 0.000 1.721 377 C CB 1.801 29.435 27.740 -0.177 0.000 2.275 377 C HN 0.874 nan 8.230 nan 0.000 0.491 378 K N 0.973 121.280 120.400 -0.156 0.000 2.203 378 K HA 0.877 5.197 4.320 -0.000 0.000 0.251 378 K C -1.561 175.043 176.600 0.006 0.000 0.944 378 K CA -0.375 55.857 56.287 -0.093 0.000 0.829 378 K CB 1.229 33.722 32.500 -0.011 0.000 1.125 378 K HN 0.637 nan 8.250 nan 0.000 0.430 379 I N 2.074 122.659 120.570 0.024 0.000 2.439 379 I HA 0.144 4.314 4.170 -0.000 0.000 0.285 379 I C -0.679 175.485 176.117 0.078 0.000 1.021 379 I CA -0.946 60.427 61.300 0.122 0.000 1.091 379 I CB 2.233 40.396 38.000 0.272 0.000 1.242 379 I HN 0.652 nan 8.210 nan 0.000 0.439 380 T N 7.120 121.736 114.554 0.102 0.000 2.743 380 T HA 0.300 4.650 4.350 -0.000 0.000 0.290 380 T C 0.416 175.163 174.700 0.079 0.000 0.908 380 T CA -0.378 61.761 62.100 0.065 0.000 1.092 380 T CB -0.076 68.828 68.868 0.059 0.000 0.882 380 T HN 0.314 nan 8.240 nan 0.000 0.531 381 L N 5.295 126.549 121.223 0.052 0.000 2.617 381 L HA 0.156 4.496 4.340 -0.000 0.000 0.282 381 L C 1.397 178.303 176.870 0.061 0.000 1.174 381 L CA -0.375 54.513 54.840 0.080 0.000 1.016 381 L CB -1.057 41.048 42.059 0.077 0.000 1.337 381 L HN 0.725 nan 8.230 nan 0.000 0.460 382 T N -1.254 113.340 114.554 0.067 0.000 2.948 382 T HA 0.579 4.929 4.350 -0.000 0.000 0.285 382 T C 1.338 176.066 174.700 0.046 0.000 1.019 382 T CA -0.251 61.877 62.100 0.047 0.000 1.013 382 T CB 1.966 70.860 68.868 0.043 0.000 1.117 382 T HN 0.377 nan 8.240 nan 0.000 0.533 383 A N 1.229 124.069 122.820 0.032 0.000 1.894 383 A HA -0.259 4.061 4.320 -0.000 0.000 0.220 383 A C 1.979 179.580 177.584 0.028 0.000 1.237 383 A CA 2.505 54.558 52.037 0.026 0.000 0.660 383 A CB -1.389 17.621 19.000 0.018 0.000 0.835 383 A HN 0.977 nan 8.150 nan 0.000 0.461 384 D N -0.636 119.779 120.400 0.025 0.000 2.084 384 D HA -0.077 4.563 4.640 -0.000 0.000 0.196 384 D C 2.156 178.474 176.300 0.030 0.000 0.985 384 D CA 1.641 55.654 54.000 0.021 0.000 0.826 384 D CB -0.452 40.350 40.800 0.004 0.000 0.978 384 D HN 0.285 nan 8.370 nan 0.000 0.456 385 V N 1.816 121.747 119.914 0.028 0.000 2.287 385 V HA -0.296 3.824 4.120 -0.000 0.000 0.248 385 V C 2.665 178.802 176.094 0.071 0.000 1.053 385 V CA 1.539 63.853 62.300 0.023 0.000 1.027 385 V CB -0.542 31.326 31.823 0.074 0.000 0.646 385 V HN 0.187 nan 8.190 nan 0.000 0.447 386 M N -0.060 119.591 119.600 0.084 0.000 2.082 386 M HA -0.227 4.253 4.480 -0.000 0.000 0.258 386 M C 2.369 178.719 176.300 0.084 0.000 1.071 386 M CA 2.646 58.002 55.300 0.094 0.000 1.103 386 M CB -0.976 31.679 32.600 0.091 0.000 1.307 386 M HN 0.479 nan 8.290 nan 0.000 0.409 387 T N -0.396 114.196 114.554 0.063 0.000 2.624 387 T HA -0.273 4.077 4.350 -0.000 0.000 0.268 387 T C 1.531 176.273 174.700 0.071 0.000 1.041 387 T CA 2.023 64.148 62.100 0.042 0.000 1.159 387 T CB -0.800 68.085 68.868 0.029 0.000 0.863 387 T HN 0.421 nan 8.240 nan 0.000 0.434 388 Y N 1.260 121.530 120.300 -0.051 0.000 2.145 388 Y HA -0.029 4.521 4.550 -0.000 0.000 0.286 388 Y C 2.136 177.963 175.900 -0.122 0.000 1.145 388 Y CA 0.871 58.923 58.100 -0.079 0.000 1.148 388 Y CB -0.443 37.925 38.460 -0.153 0.000 0.981 388 Y HN 0.141 nan 8.280 nan 0.000 0.507 389 I N -0.525 119.989 120.570 -0.093 0.000 2.493 389 I HA -0.294 3.876 4.170 -0.000 0.000 0.254 389 I C 2.498 178.417 176.117 -0.330 0.000 1.160 389 I CA 1.285 62.419 61.300 -0.278 0.000 1.445 389 I CB -0.440 37.459 38.000 -0.168 0.000 1.086 389 I HN 0.379 nan 8.210 nan 0.000 0.433 390 H N 0.417 119.344 119.070 -0.239 0.000 2.372 390 H HA -0.053 4.503 4.556 -0.000 0.000 0.301 390 H C 2.240 177.435 175.328 -0.222 0.000 1.065 390 H CA 1.798 57.723 56.048 -0.204 0.000 1.364 390 H CB 0.241 29.933 29.762 -0.117 0.000 1.406 390 H HN 0.223 nan 8.280 nan 0.000 0.521 391 S N 0.958 116.667 115.700 0.015 0.000 2.355 391 S HA -0.138 4.332 4.470 -0.000 0.000 0.222 391 S C 2.402 176.864 174.600 -0.230 0.000 1.031 391 S CA 1.095 59.266 58.200 -0.048 0.000 0.993 391 S CB -0.261 62.918 63.200 -0.034 0.000 0.859 391 S HN 0.373 nan 8.310 nan 0.000 0.453 392 M N 1.285 120.592 119.600 -0.489 0.000 2.082 392 M HA -0.130 4.350 4.480 -0.000 0.000 0.258 392 M C 0.421 176.278 176.300 -0.737 0.000 1.071 392 M CA 1.561 56.270 55.300 -0.986 0.000 1.103 392 M CB -0.098 31.735 32.600 -1.279 0.000 1.307 392 M HN 0.400 nan 8.290 nan 0.000 0.409 393 N N -1.411 116.917 118.700 -0.620 0.000 2.839 393 N HA 0.130 4.870 4.740 -0.000 0.000 0.258 393 N C -2.524 172.665 175.510 -0.535 0.000 1.150 393 N CA -0.979 51.756 53.050 -0.525 0.000 0.957 393 N CB 1.542 39.714 38.487 -0.526 0.000 1.560 393 N HN -0.116 nan 8.380 nan 0.000 0.588 394 P HA -0.098 nan 4.420 nan 0.000 0.218 394 P C 1.102 178.144 177.300 -0.431 0.000 1.149 394 P CA 0.971 63.693 63.100 -0.630 0.000 0.817 394 P CB 0.383 31.634 31.700 -0.748 0.000 0.785 395 S N 0.997 116.482 115.700 -0.358 0.000 2.377 395 S HA -0.203 4.267 4.470 -0.000 0.000 0.224 395 S C 2.050 176.400 174.600 -0.416 0.000 1.042 395 S CA 1.656 59.674 58.200 -0.304 0.000 1.086 395 S CB -1.349 61.704 63.200 -0.245 0.000 0.995 395 S HN 0.133 nan 8.310 nan 0.000 0.428 396 I N 1.200 121.452 120.570 -0.531 0.000 2.161 396 I HA -0.314 3.856 4.170 -0.000 0.000 0.246 396 I C 2.199 177.690 176.117 -1.044 0.000 1.048 396 I CA 1.517 62.309 61.300 -0.847 0.000 1.314 396 I CB -0.482 36.973 38.000 -0.908 0.000 1.014 396 I HN 0.243 nan 8.210 nan 0.000 0.418 397 L N -0.330 120.551 121.223 -0.570 0.000 2.095 397 L HA -0.138 4.202 4.340 -0.000 0.000 0.204 397 L C 2.524 179.339 176.870 -0.091 0.000 1.080 397 L CA 1.211 55.921 54.840 -0.216 0.000 0.759 397 L CB -0.365 41.645 42.059 -0.082 0.000 0.914 397 L HN 0.201 nan 8.230 nan 0.000 0.439 398 E N -0.064 120.040 120.200 -0.158 0.000 2.047 398 E HA -0.212 4.138 4.350 -0.000 0.000 0.191 398 E C 1.656 178.229 176.600 -0.046 0.000 0.987 398 E CA 1.188 57.542 56.400 -0.076 0.000 0.799 398 E CB -0.018 29.620 29.700 -0.103 0.000 0.752 398 E HN 0.388 nan 8.360 nan 0.000 0.449 399 D N 0.009 120.336 120.400 -0.122 0.000 2.228 399 D HA -0.167 4.473 4.640 -0.000 0.000 0.203 399 D C 0.738 177.088 176.300 0.083 0.000 0.988 399 D CA 0.672 54.632 54.000 -0.067 0.000 0.864 399 D CB -0.151 40.552 40.800 -0.161 0.000 0.928 399 D HN 0.312 nan 8.370 nan 0.000 0.469 400 W N 2.242 123.549 121.300 0.011 0.000 3.435 400 W HA 0.080 4.740 4.660 -0.000 0.000 0.303 400 W C 0.321 176.852 176.519 0.019 0.000 1.297 400 W CA -0.040 57.318 57.345 0.022 0.000 1.638 400 W CB -1.533 27.947 29.460 0.034 0.000 1.015 400 W HN 0.120 nan 8.180 nan 0.000 0.760 441 L N 1.204 122.479 121.223 0.087 0.000 3.110 441 L HA 0.395 4.735 4.340 -0.000 0.000 0.266 441 L C 1.938 178.809 176.870 0.002 0.000 1.257 441 L CA -0.174 54.755 54.840 0.149 0.000 1.038 441 L CB 0.784 43.082 42.059 0.398 0.000 1.395 441 L HN 0.018 nan 8.230 nan 0.000 0.566 442 K N 0.875 121.237 120.400 -0.064 0.000 2.218 442 K HA -0.169 4.151 4.320 -0.000 0.000 0.205 442 K C 1.397 177.895 176.600 -0.169 0.000 1.046 442 K CA 1.574 57.806 56.287 -0.091 0.000 0.933 442 K CB 0.194 32.646 32.500 -0.080 0.000 0.728 442 K HN 0.469 nan 8.250 nan 0.000 0.454 443 N N -0.443 118.067 118.700 -0.317 0.000 2.416 443 N HA -0.077 4.663 4.740 -0.000 0.000 0.177 443 N C -0.100 175.183 175.510 -0.378 0.000 1.036 443 N CA 0.649 53.468 53.050 -0.384 0.000 0.901 443 N CB 0.106 38.286 38.487 -0.511 0.000 0.976 443 N HN 0.205 nan 8.380 nan 0.000 0.444 444 Y N 1.129 121.299 120.300 -0.216 0.000 2.335 444 Y HA 0.224 4.774 4.550 -0.000 0.000 0.323 444 Y C 0.898 176.441 175.900 -0.596 0.000 1.224 444 Y CA -0.981 56.858 58.100 -0.435 0.000 1.241 444 Y CB 1.086 39.216 38.460 -0.550 0.000 1.235 444 Y HN -0.166 nan 8.280 nan 0.000 0.492 445 T N 0.392 114.670 114.554 -0.460 0.000 2.947 445 T HA 0.550 4.900 4.350 -0.000 0.000 0.337 445 T C -0.854 173.647 174.700 -0.332 0.000 1.139 445 T CA -0.684 61.209 62.100 -0.345 0.000 0.992 445 T CB -0.738 68.040 68.868 -0.149 0.000 1.043 445 T HN 0.340 nan 8.240 nan 0.000 0.498 446 F N 1.118 121.152 119.950 0.140 0.000 2.440 446 F HA 0.489 5.016 4.527 -0.000 0.000 0.328 446 F C 0.589 176.491 175.800 0.171 0.000 1.070 446 F CA -1.683 56.409 58.000 0.152 0.000 1.011 446 F CB 0.933 40.061 39.000 0.213 0.000 1.226 446 F HN 0.506 nan 8.300 nan 0.000 0.491 447 W N 4.311 125.705 121.300 0.157 0.000 2.724 447 W HA 0.099 4.759 4.660 -0.000 0.000 0.347 447 W C -0.291 176.340 176.519 0.186 0.000 1.338 447 W CA -0.657 56.753 57.345 0.108 0.000 1.450 447 W CB -0.291 29.161 29.460 -0.014 0.000 1.534 447 W HN 0.485 nan 8.180 nan 0.000 0.508 448 E N 3.974 124.444 120.200 0.451 0.000 2.415 448 E HA 0.094 4.444 4.350 -0.000 0.000 0.263 448 E C -0.578 176.244 176.600 0.371 0.000 0.995 448 E CA 0.108 56.705 56.400 0.329 0.000 0.915 448 E CB 1.454 31.273 29.700 0.198 0.000 0.951 448 E HN 0.179 nan 8.360 nan 0.000 0.449 449 V N 3.810 123.859 119.914 0.224 0.000 2.488 449 V HA 0.093 4.213 4.120 -0.000 0.000 0.293 449 V C -0.389 175.766 176.094 0.101 0.000 1.027 449 V CA -0.854 61.554 62.300 0.179 0.000 0.862 449 V CB 1.935 33.820 31.823 0.104 0.000 1.008 449 V HN 0.499 nan 8.190 nan 0.000 0.428 450 D N 5.149 125.612 120.400 0.106 0.000 2.373 450 D HA 0.382 5.022 4.640 -0.000 0.000 0.227 450 D C 0.262 176.614 176.300 0.086 0.000 1.091 450 D CA -0.275 53.769 54.000 0.073 0.000 0.840 450 D CB 1.637 42.480 40.800 0.072 0.000 1.060 450 D HN 0.500 nan 8.370 nan 0.000 0.502 451 L N 3.648 124.920 121.223 0.081 0.000 2.984 451 L HA 0.243 4.583 4.340 -0.000 0.000 0.246 451 L C 1.787 178.746 176.870 0.148 0.000 1.268 451 L CA -0.368 54.564 54.840 0.154 0.000 1.054 451 L CB 0.106 42.309 42.059 0.240 0.000 1.393 451 L HN 0.091 nan 8.230 nan 0.000 0.532 452 K N 0.734 121.155 120.400 0.034 0.000 2.057 452 K HA -0.178 4.142 4.320 -0.000 0.000 0.207 452 K C 1.448 178.092 176.600 0.074 0.000 1.049 452 K CA 1.339 57.593 56.287 -0.053 0.000 0.931 452 K CB 0.132 32.612 32.500 -0.032 0.000 0.714 452 K HN 0.070 nan 8.250 nan 0.000 0.440 453 E N 0.474 120.760 120.200 0.143 0.000 2.437 453 E HA 0.011 4.361 4.350 -0.000 0.000 0.189 453 E C -0.008 176.730 176.600 0.231 0.000 1.054 453 E CA 0.331 56.848 56.400 0.194 0.000 0.874 453 E CB 0.383 30.171 29.700 0.147 0.000 1.011 453 E HN 0.009 nan 8.360 nan 0.000 0.474 454 K N 0.113 120.673 120.400 0.267 0.000 2.576 454 K HA 0.148 4.468 4.320 -0.000 0.000 0.209 454 K C -0.596 176.147 176.600 0.238 0.000 1.049 454 K CA -0.214 56.215 56.287 0.237 0.000 1.140 454 K CB 0.264 32.870 32.500 0.177 0.000 0.871 454 K HN 0.017 nan 8.250 nan 0.000 0.479 455 F N 0.981 121.004 119.950 0.122 0.000 2.404 455 F HA 0.282 4.809 4.527 -0.000 0.000 0.339 455 F C 0.565 176.545 175.800 0.301 0.000 1.105 455 F CA -0.679 57.417 58.000 0.161 0.000 1.087 455 F CB 1.720 40.765 39.000 0.075 0.000 1.143 455 F HN -0.211 nan 8.300 nan 0.000 0.491 456 S N 2.122 117.947 115.700 0.208 0.000 2.614 456 S HA 0.627 5.097 4.470 -0.000 0.000 0.275 456 S C 0.209 174.701 174.600 -0.182 0.000 1.161 456 S CA -0.141 58.139 58.200 0.133 0.000 0.969 456 S CB 1.340 64.664 63.200 0.206 0.000 1.059 456 S HN 0.784 nan 8.310 nan 0.000 0.482 457 A N 2.774 125.352 122.820 -0.403 0.000 2.119 457 A HA 0.147 4.467 4.320 -0.000 0.000 0.217 457 A C 0.469 177.951 177.584 -0.169 0.000 1.153 457 A CA 0.648 52.300 52.037 -0.640 0.000 0.692 457 A CB -0.283 18.369 19.000 -0.579 0.000 0.799 457 A HN 0.847 nan 8.150 nan 0.000 0.458 458 D N 1.086 121.490 120.400 0.007 0.000 2.508 458 D HA 0.216 4.856 4.640 -0.000 0.000 0.224 458 D C 0.945 177.376 176.300 0.219 0.000 1.171 458 D CA -0.069 53.990 54.000 0.099 0.000 1.006 458 D CB 0.660 41.511 40.800 0.085 0.000 1.073 458 D HN 0.339 nan 8.370 nan 0.000 0.513 459 L N 0.519 121.828 121.223 0.143 0.000 2.093 459 L HA -0.180 4.160 4.340 -0.000 0.000 0.208 459 L C 2.145 179.159 176.870 0.240 0.000 1.085 459 L CA 0.795 55.747 54.840 0.187 0.000 0.755 459 L CB -0.300 41.831 42.059 0.120 0.000 0.904 459 L HN 0.206 nan 8.230 nan 0.000 0.435 460 D N 0.601 121.076 120.400 0.126 0.000 2.230 460 D HA -0.264 4.376 4.640 -0.000 0.000 0.189 460 D C 1.962 178.228 176.300 -0.056 0.000 1.006 460 D CA 1.529 55.553 54.000 0.040 0.000 0.853 460 D CB -0.082 40.719 40.800 0.001 0.000 0.959 460 D HN 0.247 nan 8.370 nan 0.000 0.449 461 Q N -0.740 118.942 119.800 -0.197 0.000 2.641 461 Q HA -0.117 4.223 4.340 -0.000 0.000 0.220 461 Q C -0.246 175.136 176.000 -1.030 0.000 0.977 461 Q CA 0.696 56.138 55.803 -0.602 0.000 0.930 461 Q CB -0.576 27.709 28.738 -0.754 0.000 0.976 461 Q HN 0.390 nan 8.270 nan 0.000 0.563 462 F N -0.767 119.060 119.950 -0.205 0.000 2.581 462 F HA 0.261 4.788 4.527 0.000 0.000 0.311 462 F C -1.744 173.980 175.800 -0.127 0.000 1.113 462 F CA -2.582 55.255 58.000 -0.271 0.000 0.935 462 F CB 1.422 40.007 39.000 -0.692 0.000 1.232 462 F HN -0.307 nan 8.300 nan 0.000 0.445 463 P HA -0.178 nan 4.420 nan 0.000 0.215 463 P C 1.904 179.271 177.300 0.111 0.000 1.157 463 P CA 1.388 64.523 63.100 0.060 0.000 0.868 463 P CB 0.838 32.550 31.700 0.021 0.000 0.788 464 L N -0.273 121.026 121.223 0.127 0.000 1.989 464 L HA -0.133 4.207 4.340 -0.000 0.000 0.211 464 L C 2.679 179.716 176.870 0.280 0.000 1.071 464 L CA 2.368 57.290 54.840 0.137 0.000 0.749 464 L CB -1.415 40.676 42.059 0.053 0.000 0.890 464 L HN 0.025 nan 8.230 nan 0.000 0.431 465 G N -0.765 108.208 108.800 0.288 0.000 2.491 465 G HA2 -0.329 3.631 3.960 -0.000 0.000 0.218 465 G HA3 -0.329 3.631 3.960 -0.000 0.000 0.218 465 G C 1.646 176.702 174.900 0.261 0.000 1.180 465 G CA 0.931 46.197 45.100 0.277 0.000 0.774 465 G HN 0.322 nan 8.290 nan 0.000 0.562 466 R N 0.338 120.951 120.500 0.187 0.000 2.096 466 R HA -0.089 4.251 4.340 -0.000 0.000 0.240 466 R C 2.740 179.114 176.300 0.124 0.000 1.139 466 R CA 1.813 57.986 56.100 0.121 0.000 0.952 466 R CB -0.211 30.129 30.300 0.068 0.000 0.854 466 R HN 0.350 nan 8.270 nan 0.000 0.436 467 K N -0.252 120.256 120.400 0.180 0.000 1.977 467 K HA -0.225 4.095 4.320 -0.000 0.000 0.218 467 K C 1.883 178.577 176.600 0.157 0.000 1.051 467 K CA 1.973 58.390 56.287 0.217 0.000 0.953 467 K CB -0.558 32.157 32.500 0.358 0.000 0.727 467 K HN 0.073 nan 8.250 nan 0.000 0.445 468 F N 2.124 122.146 119.950 0.119 0.000 2.063 468 F HA -0.328 4.199 4.527 -0.000 0.000 0.297 468 F C 1.837 177.422 175.800 -0.357 0.000 1.099 468 F CA 1.670 59.474 58.000 -0.326 0.000 1.220 468 F CB -0.438 38.519 39.000 -0.071 0.000 0.972 468 F HN -0.021 nan 8.300 nan 0.000 0.487 469 L N -0.821 120.320 121.223 -0.136 0.000 2.012 469 L HA -0.241 4.099 4.340 -0.000 0.000 0.210 469 L C 2.444 179.136 176.870 -0.297 0.000 1.073 469 L CA 1.113 55.801 54.840 -0.253 0.000 0.748 469 L CB -0.960 41.087 42.059 -0.020 0.000 0.891 469 L HN 0.297 nan 8.230 nan 0.000 0.431 470 L N -0.167 120.948 121.223 -0.181 0.000 1.944 470 L HA -0.294 4.046 4.340 -0.000 0.000 0.218 470 L C 2.648 179.358 176.870 -0.266 0.000 1.075 470 L CA 1.981 56.718 54.840 -0.171 0.000 0.767 470 L CB -1.099 40.911 42.059 -0.082 0.000 0.890 470 L HN 0.349 nan 8.230 nan 0.000 0.434 471 Q N -0.522 119.073 119.800 -0.341 0.000 2.135 471 Q HA -0.190 4.150 4.340 -0.000 0.000 0.204 471 Q C 1.977 177.628 176.000 -0.583 0.000 0.981 471 Q CA 2.086 57.624 55.803 -0.442 0.000 0.856 471 Q CB -0.244 28.113 28.738 -0.635 0.000 0.902 471 Q HN 0.644 nan 8.270 nan 0.000 0.425 472 A N -0.585 121.748 122.820 -0.813 0.000 2.015 472 A HA 0.189 4.509 4.320 -0.000 0.000 0.219 472 A C 1.554 178.843 177.584 -0.492 0.000 1.163 472 A CA 1.934 53.490 52.037 -0.801 0.000 0.646 472 A CB -0.463 17.789 19.000 -1.246 0.000 0.806 472 A HN 0.662 nan 8.150 nan 0.000 0.448 473 G N -0.725 107.825 108.800 -0.416 0.000 3.597 473 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.256 473 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.256 473 G C 0.376 175.144 174.900 -0.221 0.000 1.792 473 G CA 0.056 45.001 45.100 -0.259 0.000 1.219 473 G HN 1.334 nan 8.290 nan 0.000 0.577 474 L N 0.000 121.110 121.223 -0.188 0.000 2.949 474 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 474 L CA 0.000 54.757 54.840 -0.138 0.000 0.813 474 L CB 0.000 42.004 42.059 -0.091 0.000 0.961 474 L HN 0.000 nan 8.230 nan 0.000 0.502