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_M 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 0.000 177.615 177.584 0.052 0.000 1.274 20 A CA 0.000 52.051 52.037 0.024 0.000 0.836 20 A CB 0.000 19.020 19.000 0.034 0.000 0.831 21 V N 1.329 121.188 119.914 -0.091 0.000 3.230 21 V HA 0.289 4.409 4.120 -0.000 0.000 0.302 21 V C 0.705 176.764 176.094 -0.058 0.000 1.158 21 V CA 0.449 62.685 62.300 -0.108 0.000 1.279 21 V CB 0.999 32.468 31.823 -0.589 0.000 0.983 21 V HN 0.925 nan 8.190 nan 0.000 0.506 22 V N 1.202 121.204 119.914 0.147 0.000 3.178 22 V HA 0.362 4.482 4.120 -0.000 0.000 0.302 22 V C -0.125 176.202 176.094 0.389 0.000 1.262 22 V CA -0.559 61.849 62.300 0.181 0.000 1.030 22 V CB 2.238 34.097 31.823 0.059 0.000 1.074 22 V HN 0.955 nan 8.190 nan 0.000 0.438 23 S N 1.072 116.996 115.700 0.374 0.000 2.537 23 S HA 0.037 4.507 4.470 -0.000 0.000 0.286 23 S C 1.628 176.299 174.600 0.118 0.000 1.299 23 S CA 0.486 58.867 58.200 0.300 0.000 1.067 23 S CB 0.955 64.270 63.200 0.192 0.000 0.864 23 S HN 1.363 nan 8.310 nan 0.000 0.494 24 T N 1.807 116.379 114.554 0.030 0.000 2.822 24 T HA -0.167 4.183 4.350 -0.000 0.000 0.270 24 T C 0.941 175.403 174.700 -0.396 0.000 1.064 24 T CA 1.679 63.524 62.100 -0.425 0.000 1.131 24 T CB -0.605 68.141 68.868 -0.203 0.000 0.858 24 T HN 0.725 nan 8.240 nan 0.000 0.483 25 D N 1.464 121.780 120.400 -0.139 0.000 2.263 25 D HA -0.071 4.569 4.640 -0.000 0.000 0.208 25 D C 2.043 178.312 176.300 -0.051 0.000 0.971 25 D CA 0.745 54.698 54.000 -0.079 0.000 0.867 25 D CB -0.236 40.556 40.800 -0.013 0.000 0.929 25 D HN 0.523 nan 8.370 nan 0.000 0.492 26 E N -0.073 120.111 120.200 -0.027 0.000 2.427 26 E HA -0.082 4.268 4.350 -0.000 0.000 0.196 26 E C 0.511 177.216 176.600 0.175 0.000 1.028 26 E CA 0.357 56.801 56.400 0.075 0.000 0.864 26 E CB 0.114 29.885 29.700 0.118 0.000 0.813 26 E HN 0.615 nan 8.360 nan 0.000 0.514 27 Y N -2.865 117.478 120.300 0.073 0.000 2.810 27 Y HA 0.469 5.019 4.550 -0.000 0.000 0.244 27 Y C -0.675 175.311 175.900 0.143 0.000 1.092 27 Y CA -0.778 57.377 58.100 0.092 0.000 1.130 27 Y CB -0.047 38.462 38.460 0.082 0.000 1.219 27 Y HN -0.311 nan 8.280 nan 0.000 0.616 28 V N 1.393 121.292 119.914 -0.026 0.000 2.567 28 V HA 0.382 4.502 4.120 -0.000 0.000 0.298 28 V C -0.043 176.038 176.094 -0.023 0.000 1.047 28 V CA -0.509 61.791 62.300 0.001 0.000 0.880 28 V CB 1.784 33.541 31.823 -0.110 0.000 1.009 28 V HN 0.445 nan 8.190 nan 0.000 0.429 29 T N 5.178 119.730 114.554 -0.004 0.000 2.882 29 T HA 0.527 4.877 4.350 -0.000 0.000 0.287 29 T C -0.002 174.661 174.700 -0.061 0.000 1.014 29 T CA -0.557 61.528 62.100 -0.026 0.000 1.049 29 T CB 0.726 69.587 68.868 -0.011 0.000 1.001 29 T HN 0.448 nan 8.240 nan 0.000 0.525 30 R N 1.161 121.628 120.500 -0.055 0.000 2.740 30 R HA 0.643 4.983 4.340 -0.000 0.000 0.282 30 R C -0.186 176.072 176.300 -0.069 0.000 0.969 30 R CA -0.664 55.394 56.100 -0.070 0.000 0.918 30 R CB 1.938 32.216 30.300 -0.037 0.000 1.175 30 R HN 0.882 nan 8.270 nan 0.000 0.464 31 T N -2.547 111.941 114.554 -0.110 0.000 2.916 31 T HA 0.286 4.636 4.350 -0.000 0.000 0.292 31 T C 0.369 175.005 174.700 -0.106 0.000 1.055 31 T CA -0.856 61.191 62.100 -0.088 0.000 1.009 31 T CB 1.481 70.284 68.868 -0.108 0.000 1.118 31 T HN 0.525 nan 8.240 nan 0.000 0.497 32 N N 0.886 119.587 118.700 0.002 0.000 2.581 32 N HA 0.115 4.855 4.740 -0.000 0.000 0.230 32 N C -0.485 175.048 175.510 0.038 0.000 1.310 32 N CA -0.073 53.024 53.050 0.078 0.000 0.886 32 N CB -0.174 38.396 38.487 0.139 0.000 1.205 32 N HN 0.439 nan 8.380 nan 0.000 0.488 33 I N 1.024 121.471 120.570 -0.206 0.000 2.436 33 I HA 0.285 4.455 4.170 -0.000 0.000 0.289 33 I C -0.882 175.076 176.117 -0.264 0.000 1.010 33 I CA -0.636 60.611 61.300 -0.089 0.000 1.098 33 I CB 0.719 38.695 38.000 -0.040 0.000 1.266 33 I HN -0.052 nan 8.210 nan 0.000 0.434 34 Y N 5.289 125.631 120.300 0.070 0.000 2.386 34 Y HA 0.506 5.056 4.550 -0.000 0.000 0.334 34 Y C -0.895 174.890 175.900 -0.191 0.000 1.002 34 Y CA -0.641 57.438 58.100 -0.034 0.000 1.068 34 Y CB 2.175 40.495 38.460 -0.233 0.000 1.203 34 Y HN 0.357 nan 8.280 nan 0.000 0.443 35 Y N 2.044 122.372 120.300 0.046 0.000 2.429 35 Y HA 0.320 4.870 4.550 -0.000 0.000 0.342 35 Y C 0.100 175.856 175.900 -0.240 0.000 1.004 35 Y CA -0.901 57.181 58.100 -0.031 0.000 1.075 35 Y CB 1.238 39.679 38.460 -0.031 0.000 1.214 35 Y HN 0.565 nan 8.280 nan 0.000 0.455 36 H N 2.184 121.106 119.070 -0.248 0.000 2.511 36 H HA 0.762 5.318 4.556 -0.000 0.000 0.346 36 H C -1.310 173.651 175.328 -0.612 0.000 1.128 36 H CA -0.220 55.547 56.048 -0.468 0.000 1.342 36 H CB 1.280 30.636 29.762 -0.678 0.000 1.470 36 H HN 0.816 nan 8.280 nan 0.000 0.546 37 A N 2.866 125.021 122.820 -1.108 0.000 2.427 37 A HA 0.595 4.915 4.320 -0.000 0.000 0.298 37 A C -0.726 176.527 177.584 -0.552 0.000 1.036 37 A CA -0.044 51.545 52.037 -0.746 0.000 0.701 37 A CB 1.581 20.085 19.000 -0.827 0.000 1.250 37 A HN 0.812 nan 8.150 nan 0.000 0.412 38 G N 1.120 109.816 108.800 -0.174 0.000 2.711 38 G HA2 0.594 4.554 3.960 -0.000 0.000 0.288 38 G HA3 0.594 4.554 3.960 -0.000 0.000 0.288 38 G C -0.085 174.836 174.900 0.035 0.000 1.451 38 G CA 0.270 45.347 45.100 -0.039 0.000 1.186 38 G HN 1.718 nan 8.290 nan 0.000 0.560 39 S N 1.731 117.452 115.700 0.036 0.000 2.550 39 S HA 0.358 4.828 4.470 -0.000 0.000 0.285 39 S C 1.147 175.763 174.600 0.028 0.000 1.326 39 S CA 0.457 58.670 58.200 0.021 0.000 1.037 39 S CB 0.637 63.810 63.200 -0.044 0.000 0.838 39 S HN 1.780 nan 8.310 nan 0.000 0.519 40 S N 2.113 117.845 115.700 0.053 0.000 2.617 40 S HA 0.284 4.754 4.470 -0.000 0.000 0.259 40 S C 0.302 174.931 174.600 0.048 0.000 1.301 40 S CA -0.954 57.284 58.200 0.064 0.000 0.984 40 S CB 0.134 63.386 63.200 0.086 0.000 0.954 40 S HN 0.961 nan 8.310 nan 0.000 0.572 41 R N 0.059 120.593 120.500 0.056 0.000 2.474 41 R HA -0.022 4.318 4.340 -0.000 0.000 0.290 41 R C -1.044 175.320 176.300 0.106 0.000 0.918 41 R CA 0.446 56.584 56.100 0.063 0.000 1.130 41 R CB -0.610 29.732 30.300 0.070 0.000 0.881 41 R HN 0.631 nan 8.270 nan 0.000 0.416 42 L N 7.390 128.678 121.223 0.108 0.000 2.324 42 L HA 0.347 4.687 4.340 -0.000 0.000 0.274 42 L C -0.399 176.658 176.870 0.311 0.000 1.012 42 L CA -0.470 54.495 54.840 0.209 0.000 0.859 42 L CB 1.059 43.053 42.059 -0.108 0.000 1.224 42 L HN 0.511 nan 8.230 nan 0.000 0.429 43 L N 2.851 124.302 121.223 0.380 0.000 2.387 43 L HA 0.918 5.258 4.340 -0.000 0.000 0.266 43 L C 0.157 177.298 176.870 0.451 0.000 1.059 43 L CA -0.655 54.394 54.840 0.349 0.000 0.801 43 L CB 1.741 43.926 42.059 0.209 0.000 1.223 43 L HN 0.651 nan 8.230 nan 0.000 0.456 44 A N 1.470 124.477 122.820 0.313 0.000 2.500 44 A HA 0.639 4.959 4.320 -0.000 0.000 0.288 44 A C -1.458 176.191 177.584 0.109 0.000 1.045 44 A CA -0.377 51.781 52.037 0.203 0.000 0.830 44 A CB 1.219 20.415 19.000 0.326 0.000 1.337 44 A HN 0.299 nan 8.150 nan 0.000 0.400 45 V N 1.809 121.753 119.914 0.050 0.000 2.487 45 V HA 0.932 5.052 4.120 -0.000 0.000 0.298 45 V C 0.622 176.723 176.094 0.011 0.000 1.028 45 V CA 0.369 62.688 62.300 0.032 0.000 0.860 45 V CB 1.549 33.394 31.823 0.037 0.000 0.991 45 V HN 1.591 nan 8.190 nan 0.000 0.427 46 G N 1.690 110.493 108.800 0.005 0.000 2.682 46 G HA2 0.404 4.364 3.960 -0.000 0.000 0.303 46 G HA3 0.404 4.364 3.960 -0.000 0.000 0.303 46 G C -1.551 173.357 174.900 0.013 0.000 1.341 46 G CA -0.634 44.476 45.100 0.017 0.000 0.784 46 G HN 0.648 nan 8.290 nan 0.000 0.497 47 H N 0.951 119.978 119.070 -0.071 0.000 2.629 47 H HA 0.306 4.862 4.556 -0.000 0.000 0.357 47 H C -1.491 173.714 175.328 -0.205 0.000 1.121 47 H CA -1.119 54.826 56.048 -0.172 0.000 1.406 47 H CB 2.458 32.089 29.762 -0.219 0.000 1.456 47 H HN 0.182 nan 8.280 nan 0.000 0.579 48 P HA -0.006 nan 4.420 nan 0.000 0.252 48 P C 0.422 177.697 177.300 -0.043 0.000 1.218 48 P CA 0.847 63.808 63.100 -0.231 0.000 0.807 48 P CB 0.333 31.846 31.700 -0.313 0.000 1.072 49 Y N -0.302 120.097 120.300 0.165 0.000 2.422 49 Y HA 0.140 4.690 4.550 -0.000 0.000 0.291 49 Y C 1.150 177.091 175.900 0.068 0.000 1.144 49 Y CA -0.494 57.630 58.100 0.040 0.000 1.208 49 Y CB -0.063 38.376 38.460 -0.035 0.000 1.195 49 Y HN -0.115 nan 8.280 nan 0.000 0.535 50 Y N -1.440 118.964 120.300 0.172 0.000 2.644 50 Y HA 0.840 5.390 4.550 -0.000 0.000 0.338 50 Y C -0.620 175.256 175.900 -0.040 0.000 1.119 50 Y CA -2.982 55.133 58.100 0.026 0.000 1.060 50 Y CB 0.425 38.859 38.460 -0.043 0.000 1.294 50 Y HN -0.129 nan 8.280 nan 0.000 0.472 51 A N 1.347 124.308 122.820 0.235 0.000 2.371 51 A HA 0.648 4.968 4.320 -0.000 0.000 0.257 51 A C -0.757 176.934 177.584 0.178 0.000 1.089 51 A CA -0.515 51.612 52.037 0.151 0.000 0.794 51 A CB -0.306 18.745 19.000 0.085 0.000 1.029 51 A HN 0.632 nan 8.150 nan 0.000 0.488 52 I N 2.394 123.043 120.570 0.132 0.000 2.328 52 I HA 0.259 4.429 4.170 -0.000 0.000 0.287 52 I C 0.519 176.674 176.117 0.062 0.000 1.012 52 I CA -0.304 61.064 61.300 0.114 0.000 1.195 52 I CB 1.082 39.163 38.000 0.134 0.000 1.350 52 I HN 0.773 nan 8.210 nan 0.000 0.464 53 K N 4.417 124.838 120.400 0.035 0.000 2.177 53 K HA 0.561 4.880 4.320 -0.000 0.000 0.238 53 K C -0.147 176.461 176.600 0.014 0.000 1.015 53 K CA -1.192 55.106 56.287 0.017 0.000 0.922 53 K CB 0.791 33.293 32.500 0.004 0.000 1.127 53 K HN 0.117 nan 8.250 nan 0.000 0.469 54 K N 0.869 121.273 120.400 0.007 0.000 2.559 54 K HA -0.150 4.170 4.320 -0.000 0.000 0.279 54 K C 0.933 177.535 176.600 0.003 0.000 0.967 54 K CA 0.692 56.983 56.287 0.006 0.000 1.000 54 K CB 0.609 33.109 32.500 0.000 0.000 0.890 54 K HN 0.729 nan 8.250 nan 0.000 0.501 55 Q N 1.804 121.608 119.800 0.006 0.000 2.152 55 Q HA -0.194 4.146 4.340 -0.000 0.000 0.206 55 Q C 0.416 176.412 176.000 -0.006 0.000 0.985 55 Q CA 2.335 58.139 55.803 0.002 0.000 0.863 55 Q CB 0.146 28.888 28.738 0.007 0.000 0.904 55 Q HN 0.781 nan 8.270 nan 0.000 0.422 56 D N -1.627 118.769 120.400 -0.006 0.000 3.161 56 D HA 0.048 4.688 4.640 -0.000 0.000 0.287 56 D C 0.304 176.598 176.300 -0.010 0.000 1.343 56 D CA 0.510 54.505 54.000 -0.009 0.000 1.070 56 D CB -0.491 40.305 40.800 -0.007 0.000 1.188 56 D HN 0.153 nan 8.370 nan 0.000 0.409 57 S N 1.516 117.211 115.700 -0.008 0.000 2.569 57 S HA -0.045 4.425 4.470 -0.000 0.000 0.274 57 S C 0.898 175.492 174.600 -0.011 0.000 1.353 57 S CA -0.230 57.965 58.200 -0.009 0.000 1.023 57 S CB 0.302 63.498 63.200 -0.008 0.000 0.876 57 S HN 0.255 nan 8.310 nan 0.000 0.540 58 N N 2.162 120.855 118.700 -0.012 0.000 2.276 58 N HA 0.069 4.808 4.740 -0.000 0.000 0.212 58 N C -0.237 175.266 175.510 -0.011 0.000 1.127 58 N CA -0.289 52.754 53.050 -0.013 0.000 0.834 58 N CB 0.047 38.525 38.487 -0.015 0.000 1.014 58 N HN 0.468 nan 8.380 nan 0.000 0.491 59 K N 1.163 121.557 120.400 -0.009 0.000 2.205 59 K HA 0.209 4.529 4.320 -0.000 0.000 0.279 59 K C -0.083 176.514 176.600 -0.006 0.000 1.027 59 K CA -0.676 55.605 56.287 -0.010 0.000 0.932 59 K CB 0.929 33.423 32.500 -0.010 0.000 1.032 59 K HN -0.086 nan 8.250 nan 0.000 0.466 60 I N 4.325 124.891 120.570 -0.007 0.000 2.581 60 I HA -0.064 4.106 4.170 -0.000 0.000 0.285 60 I C 1.091 177.207 176.117 -0.002 0.000 1.129 60 I CA 0.584 61.883 61.300 -0.002 0.000 1.397 60 I CB 0.030 38.026 38.000 -0.007 0.000 1.399 60 I HN 0.804 nan 8.210 nan 0.000 0.537 61 A N 7.255 130.081 122.820 0.008 0.000 1.901 61 A HA 0.203 4.523 4.320 -0.000 0.000 0.210 61 A C 0.766 178.356 177.584 0.010 0.000 1.208 61 A CA 0.507 52.548 52.037 0.007 0.000 0.644 61 A CB 0.194 19.202 19.000 0.013 0.000 0.863 61 A HN 0.426 nan 8.150 nan 0.000 0.454 62 V N 2.034 121.964 119.914 0.028 0.000 2.495 62 V HA 0.379 4.499 4.120 -0.000 0.000 0.298 62 V C -2.454 173.661 176.094 0.035 0.000 1.031 62 V CA -1.956 60.363 62.300 0.031 0.000 0.871 62 V CB 1.679 33.535 31.823 0.055 0.000 0.988 62 V HN 0.298 nan 8.190 nan 0.000 0.432 63 P HA 0.224 nan 4.420 nan 0.000 0.279 63 P C -1.047 176.279 177.300 0.043 0.000 1.282 63 P CA -0.707 62.401 63.100 0.013 0.000 0.788 63 P CB 1.044 32.728 31.700 -0.026 0.000 1.139 64 K N 0.368 120.794 120.400 0.044 0.000 2.292 64 K HA 0.393 4.713 4.320 -0.000 0.000 0.270 64 K C -1.396 175.224 176.600 0.033 0.000 1.062 64 K CA -0.521 55.803 56.287 0.061 0.000 0.916 64 K CB 0.009 32.560 32.500 0.085 0.000 1.166 64 K HN 0.109 nan 8.250 nan 0.000 0.458 65 V N 3.604 123.523 119.914 0.009 0.000 2.325 65 V HA 0.247 4.367 4.120 -0.000 0.000 0.280 65 V C -0.540 175.494 176.094 -0.101 0.000 1.016 65 V CA -0.705 61.571 62.300 -0.040 0.000 0.818 65 V CB 0.985 32.767 31.823 -0.068 0.000 1.019 65 V HN 0.778 nan 8.190 nan 0.000 0.434 66 S N 3.210 118.887 115.700 -0.037 0.000 2.568 66 S HA 0.655 5.125 4.470 -0.000 0.000 0.302 66 S C 1.315 175.946 174.600 0.051 0.000 1.082 66 S CA 0.213 58.446 58.200 0.056 0.000 1.009 66 S CB 1.970 65.261 63.200 0.151 0.000 1.069 66 S HN 0.832 nan 8.310 nan 0.000 0.500 67 G N 1.830 110.778 108.800 0.246 0.000 2.471 67 G HA2 0.021 3.981 3.960 -0.000 0.000 0.219 67 G HA3 0.021 3.981 3.960 -0.000 0.000 0.219 67 G C 0.588 175.609 174.900 0.201 0.000 1.125 67 G CA 0.462 45.736 45.100 0.289 0.000 0.775 67 G HN 0.611 nan 8.290 nan 0.000 0.548 68 L N 0.379 121.726 121.223 0.207 0.000 2.805 68 L HA 0.360 4.700 4.340 -0.000 0.000 0.237 68 L C 0.678 177.625 176.870 0.128 0.000 1.252 68 L CA 0.205 55.156 54.840 0.185 0.000 1.064 68 L CB 0.114 42.348 42.059 0.292 0.000 1.361 68 L HN 0.120 nan 8.230 nan 0.000 0.474 69 Q N -1.503 118.356 119.800 0.099 0.000 2.433 69 Q HA 0.446 4.786 4.340 -0.000 0.000 0.279 69 Q C -1.164 174.877 176.000 0.068 0.000 1.105 69 Q CA -0.933 54.945 55.803 0.124 0.000 0.815 69 Q CB 2.299 31.113 28.738 0.128 0.000 1.403 69 Q HN 0.024 nan 8.270 nan 0.000 0.435 70 Y N 0.426 120.762 120.300 0.060 0.000 2.314 70 Y HA 0.227 4.777 4.550 -0.000 0.000 0.334 70 Y C 0.317 176.199 175.900 -0.030 0.000 1.266 70 Y CA 0.081 58.200 58.100 0.033 0.000 1.391 70 Y CB 0.719 39.188 38.460 0.017 0.000 1.306 70 Y HN 0.179 nan 8.280 nan 0.000 0.558 71 R N 1.674 122.207 120.500 0.054 0.000 2.352 71 R HA 0.341 4.681 4.340 -0.000 0.000 0.304 71 R C -1.783 174.338 176.300 -0.298 0.000 1.104 71 R CA -0.659 55.260 56.100 -0.302 0.000 0.991 71 R CB 0.705 30.641 30.300 -0.607 0.000 1.140 71 R HN 0.403 nan 8.270 nan 0.000 0.540 72 V N 4.925 124.752 119.914 -0.145 0.000 2.320 72 V HA 0.379 4.499 4.120 -0.000 0.000 0.265 72 V C 0.102 176.173 176.094 -0.039 0.000 1.048 72 V CA -0.549 61.756 62.300 0.008 0.000 0.865 72 V CB -0.085 31.849 31.823 0.185 0.000 1.043 72 V HN 0.362 nan 8.190 nan 0.000 0.474 73 F N 3.370 123.335 119.950 0.025 0.000 2.394 73 F HA 0.545 5.072 4.527 -0.000 0.000 0.340 73 F C 0.804 176.483 175.800 -0.202 0.000 1.105 73 F CA -0.505 57.478 58.000 -0.029 0.000 1.124 73 F CB 1.161 40.083 39.000 -0.129 0.000 1.145 73 F HN 0.319 nan 8.300 nan 0.000 0.505 74 R N 3.185 123.655 120.500 -0.049 0.000 2.247 74 R HA 0.493 4.833 4.340 -0.000 0.000 0.329 74 R C -1.693 174.451 176.300 -0.260 0.000 1.014 74 R CA -0.419 55.370 56.100 -0.518 0.000 0.907 74 R CB 0.751 30.891 30.300 -0.266 0.000 1.146 74 R HN 0.559 nan 8.270 nan 0.000 0.499 75 V N 5.821 125.532 119.914 -0.338 0.000 2.389 75 V HA 0.159 4.279 4.120 -0.000 0.000 0.264 75 V C 0.224 176.168 176.094 -0.250 0.000 1.049 75 V CA -0.427 61.722 62.300 -0.251 0.000 0.932 75 V CB 1.022 32.637 31.823 -0.347 0.000 1.011 75 V HN 0.529 nan 8.190 nan 0.000 0.475 76 K N 5.711 126.016 120.400 -0.158 0.000 2.316 76 K HA 0.457 4.777 4.320 -0.000 0.000 0.289 76 K C -0.534 175.972 176.600 -0.157 0.000 1.070 76 K CA -0.035 56.177 56.287 -0.126 0.000 0.928 76 K CB 1.047 33.512 32.500 -0.058 0.000 1.039 76 K HN 0.545 nan 8.250 nan 0.000 0.480 77 L N 6.061 127.168 121.223 -0.194 0.000 2.307 77 L HA 0.348 4.688 4.340 -0.000 0.000 0.282 77 L C -1.755 174.937 176.870 -0.297 0.000 1.051 77 L CA -2.091 52.571 54.840 -0.295 0.000 0.804 77 L CB 1.566 43.424 42.059 -0.335 0.000 1.197 77 L HN 0.346 nan 8.230 nan 0.000 0.431 78 P HA -0.102 nan 4.420 nan 0.000 0.266 78 P C -0.870 176.286 177.300 -0.240 0.000 1.195 78 P CA -0.128 62.707 63.100 -0.442 0.000 0.768 78 P CB 0.881 32.022 31.700 -0.931 0.000 0.838 79 D N 4.802 125.137 120.400 -0.108 0.000 2.346 79 D HA 0.037 4.677 4.640 -0.000 0.000 0.260 79 D C -1.082 175.171 176.300 -0.078 0.000 1.252 79 D CA -1.796 52.182 54.000 -0.036 0.000 0.895 79 D CB 0.750 41.572 40.800 0.037 0.000 1.097 79 D HN 0.245 nan 8.370 nan 0.000 0.489 80 P HA -0.092 nan 4.420 nan 0.000 0.231 80 P C 0.589 177.922 177.300 0.055 0.000 1.158 80 P CA 0.511 63.493 63.100 -0.197 0.000 0.763 80 P CB 0.468 31.671 31.700 -0.828 0.000 0.805 81 N N 0.557 119.266 118.700 0.015 0.000 2.333 81 N HA -0.021 4.719 4.740 -0.000 0.000 0.178 81 N C 1.540 177.093 175.510 0.072 0.000 1.018 81 N CA 0.834 53.916 53.050 0.054 0.000 0.882 81 N CB -0.077 38.424 38.487 0.024 0.000 0.984 81 N HN 0.344 nan 8.380 nan 0.000 0.434 82 K N 0.077 120.524 120.400 0.078 0.000 2.116 82 K HA 0.024 4.344 4.320 -0.000 0.000 0.203 82 K C 0.499 177.129 176.600 0.049 0.000 1.052 82 K CA 0.164 56.489 56.287 0.063 0.000 0.952 82 K CB -0.126 32.417 32.500 0.072 0.000 0.729 82 K HN -0.046 nan 8.250 nan 0.000 0.446 83 F N 1.609 121.447 119.950 -0.186 0.000 2.626 83 F HA 0.053 4.580 4.527 -0.000 0.000 0.354 83 F C 1.200 176.643 175.800 -0.594 0.000 1.168 83 F CA 0.332 58.088 58.000 -0.407 0.000 1.368 83 F CB 0.430 39.166 39.000 -0.441 0.000 1.092 83 F HN -0.021 nan 8.300 nan 0.000 0.612 84 G N 3.289 111.658 108.800 -0.717 0.000 2.415 84 G HA2 0.588 4.548 3.960 -0.000 0.000 0.327 84 G HA3 0.588 4.548 3.960 -0.000 0.000 0.327 84 G C -1.809 172.641 174.900 -0.750 0.000 1.182 84 G CA -0.476 44.313 45.100 -0.518 0.000 0.924 84 G HN 0.401 nan 8.290 nan 0.000 0.470 85 F N 1.475 121.452 119.950 0.046 0.000 2.561 85 F HA 0.496 5.023 4.527 -0.000 0.000 0.321 85 F C -1.048 174.767 175.800 0.024 0.000 1.065 85 F CA -1.876 56.160 58.000 0.059 0.000 0.934 85 F CB 2.652 41.686 39.000 0.056 0.000 1.215 85 F HN 0.334 nan 8.300 nan 0.000 0.471 86 P HA -0.076 nan 4.420 nan 0.000 0.215 86 P C 0.839 178.160 177.300 0.035 0.000 1.157 86 P CA 1.253 64.421 63.100 0.113 0.000 0.869 86 P CB 0.220 31.992 31.700 0.120 0.000 0.781 87 D N 0.495 120.925 120.400 0.050 0.000 2.378 87 D HA -0.077 4.563 4.640 -0.000 0.000 0.222 87 D C 0.528 176.595 176.300 -0.388 0.000 0.980 87 D CA 0.862 54.797 54.000 -0.109 0.000 0.907 87 D CB -0.504 40.307 40.800 0.018 0.000 0.899 87 D HN 0.178 nan 8.370 nan 0.000 0.527 88 T N -1.959 112.498 114.554 -0.160 0.000 3.419 88 T HA 0.167 4.517 4.350 -0.000 0.000 0.228 88 T C 1.260 175.927 174.700 -0.055 0.000 0.939 88 T CA 0.037 62.080 62.100 -0.095 0.000 0.992 88 T CB 0.043 68.981 68.868 0.117 0.000 1.186 88 T HN -0.005 nan 8.240 nan 0.000 0.612 89 S N 0.753 116.232 115.700 -0.369 0.000 2.470 89 S HA 0.115 4.585 4.470 -0.000 0.000 0.222 89 S C 0.889 175.422 174.600 -0.111 0.000 1.024 89 S CA -0.579 57.489 58.200 -0.220 0.000 0.931 89 S CB -0.656 62.427 63.200 -0.196 0.000 0.791 89 S HN 0.676 nan 8.310 nan 0.000 0.513 90 F N 0.547 120.564 119.950 0.111 0.000 2.750 90 F HA 0.594 5.121 4.527 -0.000 0.000 0.297 90 F C -0.271 175.619 175.800 0.149 0.000 1.138 90 F CA -2.358 55.697 58.000 0.091 0.000 1.346 90 F CB -0.834 38.203 39.000 0.062 0.000 0.965 90 F HN 0.165 nan 8.300 nan 0.000 0.514 91 Y N 1.469 121.810 120.300 0.069 0.000 2.361 91 Y HA 0.581 5.131 4.550 -0.000 0.000 0.337 91 Y C -1.345 174.559 175.900 0.005 0.000 0.965 91 Y CA -2.396 55.730 58.100 0.043 0.000 1.091 91 Y CB 1.208 39.662 38.460 -0.011 0.000 1.182 91 Y HN 0.117 nan 8.280 nan 0.000 0.450 92 D N 8.303 128.537 120.400 -0.276 0.000 2.280 92 D HA 0.339 4.979 4.640 -0.000 0.000 0.243 92 D C -2.036 173.794 176.300 -0.783 0.000 1.129 92 D CA -2.624 51.111 54.000 -0.441 0.000 0.848 92 D CB 1.951 42.650 40.800 -0.168 0.000 1.107 92 D HN 0.402 nan 8.370 nan 0.000 0.471 93 P HA 0.015 nan 4.420 nan 0.000 0.236 93 P C 0.738 177.882 177.300 -0.261 0.000 1.177 93 P CA 0.292 63.053 63.100 -0.565 0.000 0.773 93 P CB 0.413 31.874 31.700 -0.398 0.000 0.878 94 A N 1.200 123.886 122.820 -0.223 0.000 1.898 94 A HA -0.073 4.247 4.320 -0.000 0.000 0.214 94 A C 2.299 179.836 177.584 -0.078 0.000 1.183 94 A CA 2.060 54.025 52.037 -0.120 0.000 0.622 94 A CB -1.021 17.924 19.000 -0.091 0.000 0.824 94 A HN 0.365 nan 8.150 nan 0.000 0.444 95 S N -1.277 114.377 115.700 -0.078 0.000 2.506 95 S HA 0.184 4.654 4.470 -0.000 0.000 0.219 95 S C 0.728 175.317 174.600 -0.017 0.000 1.031 95 S CA -0.412 57.769 58.200 -0.032 0.000 0.911 95 S CB -0.084 63.107 63.200 -0.014 0.000 0.812 95 S HN 0.615 nan 8.310 nan 0.000 0.497 96 Q N 0.588 120.381 119.800 -0.012 0.000 2.205 96 Q HA 0.629 4.969 4.340 -0.000 0.000 0.249 96 Q C -0.338 175.689 176.000 0.045 0.000 0.948 96 Q CA -0.934 54.913 55.803 0.073 0.000 0.895 96 Q CB 1.058 29.954 28.738 0.263 0.000 1.249 96 Q HN 0.087 nan 8.270 nan 0.000 0.458 97 R N 0.196 120.612 120.500 -0.141 0.000 3.121 97 R HA 0.657 4.997 4.340 -0.000 0.000 0.242 97 R C -1.003 175.063 176.300 -0.390 0.000 1.402 97 R CA -0.844 55.018 56.100 -0.397 0.000 1.042 97 R CB 0.860 30.435 30.300 -1.209 0.000 1.410 97 R HN 0.546 nan 8.270 nan 0.000 0.494 98 L N 0.670 121.606 121.223 -0.478 0.000 2.445 98 L HA 0.653 4.993 4.340 -0.000 0.000 0.262 98 L C -0.999 175.743 176.870 -0.214 0.000 0.974 98 L CA -1.036 53.579 54.840 -0.376 0.000 0.822 98 L CB 2.517 44.303 42.059 -0.456 0.000 1.339 98 L HN 0.186 nan 8.230 nan 0.000 0.409 99 V N -0.392 119.363 119.914 -0.265 0.000 2.925 99 V HA 0.404 4.524 4.120 -0.000 0.000 0.311 99 V C -1.329 174.564 176.094 -0.334 0.000 1.104 99 V CA -0.786 61.408 62.300 -0.176 0.000 0.954 99 V CB 2.240 34.001 31.823 -0.103 0.000 1.022 99 V HN 0.665 nan 8.190 nan 0.000 0.427 100 W N 2.019 123.219 121.300 -0.167 0.000 2.331 100 W HA 0.691 5.351 4.660 -0.000 0.000 0.306 100 W C 0.329 176.782 176.519 -0.109 0.000 1.162 100 W CA -0.384 56.861 57.345 -0.168 0.000 1.232 100 W CB 1.383 30.647 29.460 -0.327 0.000 1.235 100 W HN 0.734 nan 8.180 nan 0.000 0.479 101 A N 3.949 126.912 122.820 0.238 0.000 2.260 101 A HA 0.426 4.746 4.320 -0.000 0.000 0.314 101 A C -0.511 177.197 177.584 0.205 0.000 1.257 101 A CA -0.637 51.444 52.037 0.074 0.000 0.871 101 A CB 0.424 19.404 19.000 -0.033 0.000 1.166 101 A HN 0.784 nan 8.150 nan 0.000 0.522 102 C N 2.824 122.210 119.300 0.144 0.000 2.632 102 C HA 0.471 4.931 4.460 -0.000 0.000 0.415 102 C C 1.479 176.431 174.990 -0.063 0.000 1.332 102 C CA 0.645 59.715 59.018 0.086 0.000 1.874 102 C CB -0.560 27.217 27.740 0.062 0.000 2.596 102 C HN 0.878 nan 8.230 nan 0.000 0.590 103 T N 3.573 118.060 114.554 -0.112 0.000 3.038 103 T HA 0.349 4.699 4.350 -0.000 0.000 0.244 103 T C 0.646 175.432 174.700 0.143 0.000 1.016 103 T CA 0.768 62.883 62.100 0.025 0.000 1.098 103 T CB 0.292 69.209 68.868 0.082 0.000 0.954 103 T HN 1.006 nan 8.240 nan 0.000 0.469 104 G N 0.721 109.536 108.800 0.024 0.000 2.746 104 G HA2 0.564 4.524 3.960 -0.000 0.000 0.297 104 G HA3 0.564 4.524 3.960 -0.000 0.000 0.297 104 G C -1.563 173.120 174.900 -0.361 0.000 1.426 104 G CA -0.446 44.610 45.100 -0.073 0.000 0.989 104 G HN 0.138 nan 8.290 nan 0.000 0.520 105 V N 0.989 120.650 119.914 -0.422 0.000 2.732 105 V HA 0.703 4.823 4.120 -0.000 0.000 0.310 105 V C -0.366 175.299 176.094 -0.716 0.000 1.053 105 V CA -0.843 61.115 62.300 -0.570 0.000 0.957 105 V CB 2.020 33.628 31.823 -0.358 0.000 1.018 105 V HN 0.703 nan 8.190 nan 0.000 0.452 106 E N 1.634 121.373 120.200 -0.768 0.000 2.260 106 E HA 0.395 4.745 4.350 -0.000 0.000 0.266 106 E C -1.731 174.511 176.600 -0.596 0.000 0.887 106 E CA -0.340 55.641 56.400 -0.700 0.000 0.777 106 E CB 2.269 31.646 29.700 -0.538 0.000 1.205 106 E HN 0.422 nan 8.360 nan 0.000 0.414 107 V N 3.622 123.236 119.914 -0.499 0.000 2.217 107 V HA 0.290 4.410 4.120 -0.000 0.000 0.264 107 V C 0.827 176.745 176.094 -0.292 0.000 1.107 107 V CA -0.577 61.500 62.300 -0.371 0.000 0.913 107 V CB 0.755 32.403 31.823 -0.293 0.000 1.153 107 V HN 0.660 nan 8.190 nan 0.000 0.469 108 G N 4.031 112.674 108.800 -0.262 0.000 2.414 108 G HA2 0.318 4.278 3.960 -0.000 0.000 0.236 108 G HA3 0.318 4.278 3.960 -0.000 0.000 0.236 108 G C -0.053 174.708 174.900 -0.232 0.000 1.293 108 G CA -0.245 44.738 45.100 -0.195 0.000 0.869 108 G HN 0.448 nan 8.290 nan 0.000 0.556 109 R N 1.013 121.395 120.500 -0.197 0.000 2.575 109 R HA 0.573 4.913 4.340 -0.000 0.000 0.293 109 R C 0.273 176.479 176.300 -0.156 0.000 0.983 109 R CA -0.508 55.416 56.100 -0.293 0.000 0.887 109 R CB 1.907 32.072 30.300 -0.225 0.000 1.184 109 R HN 0.690 nan 8.270 nan 0.000 0.445 110 G N 0.635 109.343 108.800 -0.154 0.000 2.932 110 G HA2 0.564 4.524 3.960 -0.000 0.000 0.283 110 G HA3 0.564 4.524 3.960 -0.000 0.000 0.283 110 G C -1.097 173.778 174.900 -0.041 0.000 1.336 110 G CA -0.264 44.796 45.100 -0.068 0.000 1.056 110 G HN 0.345 nan 8.290 nan 0.000 0.522 111 Q N -1.394 118.403 119.800 -0.006 0.000 3.236 111 Q HA -0.121 4.219 4.340 -0.000 0.000 0.024 111 Q C -2.610 173.396 176.000 0.010 0.000 1.713 111 Q CA 0.173 55.985 55.803 0.015 0.000 0.236 111 Q CB -1.464 27.297 28.738 0.038 0.000 0.735 111 Q HN 0.625 nan 8.270 nan 0.000 0.322 112 P HA 0.285 nan 4.420 nan 0.000 0.274 112 P C -0.043 177.265 177.300 0.013 0.000 1.237 112 P CA -0.550 62.555 63.100 0.009 0.000 0.793 112 P CB 0.544 32.247 31.700 0.004 0.000 0.977 113 L N 0.948 122.179 121.223 0.013 0.000 2.452 113 L HA 0.561 4.901 4.340 -0.000 0.000 0.267 113 L C 1.200 178.075 176.870 0.009 0.000 1.188 113 L CA 1.449 56.300 54.840 0.018 0.000 0.821 113 L CB 0.098 42.167 42.059 0.016 0.000 1.102 113 L HN 0.793 nan 8.230 nan 0.000 0.470 114 G N 0.907 109.711 108.800 0.008 0.000 2.441 114 G HA2 0.568 4.528 3.960 -0.000 0.000 0.294 114 G HA3 0.568 4.528 3.960 -0.000 0.000 0.294 114 G C -1.864 173.029 174.900 -0.011 0.000 1.393 114 G CA 0.016 45.108 45.100 -0.013 0.000 0.796 114 G HN 0.826 nan 8.290 nan 0.000 0.494 115 V N -2.153 117.745 119.914 -0.026 0.000 2.971 115 V HA 1.008 5.128 4.120 -0.000 0.000 0.309 115 V C 0.488 176.556 176.094 -0.043 0.000 1.130 115 V CA 0.169 62.462 62.300 -0.012 0.000 0.964 115 V CB 1.411 33.241 31.823 0.011 0.000 1.029 115 V HN 1.825 nan 8.190 nan 0.000 0.427 116 G N 1.376 110.156 108.800 -0.034 0.000 2.606 116 G HA2 0.792 4.752 3.960 -0.000 0.000 0.262 116 G HA3 0.792 4.752 3.960 -0.000 0.000 0.262 116 G C -0.762 174.108 174.900 -0.050 0.000 1.394 116 G CA -0.583 44.482 45.100 -0.058 0.000 1.044 116 G HN 1.471 nan 8.290 nan 0.000 0.553 117 I N 0.216 120.760 120.570 -0.043 0.000 2.686 117 I HA 0.238 4.408 4.170 -0.000 0.000 0.280 117 I C -0.851 175.222 176.117 -0.075 0.000 1.322 117 I CA -0.418 60.837 61.300 -0.076 0.000 1.107 117 I CB 1.074 39.058 38.000 -0.027 0.000 1.366 117 I HN 0.488 nan 8.210 nan 0.000 0.443 118 S N 4.951 120.460 115.700 -0.318 0.000 2.565 118 S HA 0.963 5.433 4.470 -0.000 0.000 0.290 118 S C 0.106 174.520 174.600 -0.309 0.000 1.150 118 S CA -0.456 57.496 58.200 -0.412 0.000 1.058 118 S CB 2.016 64.876 63.200 -0.565 0.000 1.032 118 S HN 0.832 nan 8.310 nan 0.000 0.510 119 G N 0.212 108.799 108.800 -0.354 0.000 2.827 119 G HA2 0.625 4.585 3.960 -0.000 0.000 0.296 119 G HA3 0.625 4.585 3.960 -0.000 0.000 0.296 119 G C -1.892 172.942 174.900 -0.110 0.000 1.362 119 G CA -0.528 44.474 45.100 -0.165 0.000 0.809 119 G HN 0.766 nan 8.290 nan 0.000 0.522 120 H N -0.454 118.533 119.070 -0.138 0.000 3.087 120 H HA 0.383 4.939 4.556 -0.000 0.000 0.348 120 H C -2.370 172.918 175.328 -0.066 0.000 1.092 120 H CA -1.357 54.625 56.048 -0.110 0.000 1.285 120 H CB 2.653 32.346 29.762 -0.115 0.000 1.875 120 H HN 0.147 nan 8.280 nan 0.000 0.512 121 P HA -0.033 nan 4.420 nan 0.000 0.215 121 P C 0.423 177.844 177.300 0.202 0.000 1.157 121 P CA 1.181 64.370 63.100 0.148 0.000 0.868 121 P CB 0.444 32.177 31.700 0.054 0.000 0.788 122 L N -1.102 120.369 121.223 0.415 0.000 2.935 122 L HA 0.268 4.608 4.340 -0.000 0.000 0.243 122 L C 0.064 176.809 176.870 -0.209 0.000 1.313 122 L CA -0.934 53.980 54.840 0.123 0.000 0.969 122 L CB 0.120 42.259 42.059 0.133 0.000 1.320 122 L HN -0.065 nan 8.230 nan 0.000 0.511 123 L N 1.044 122.098 121.223 -0.280 0.000 2.483 123 L HA 0.107 4.447 4.340 -0.000 0.000 0.276 123 L C 0.627 177.348 176.870 -0.249 0.000 1.213 123 L CA 0.422 55.011 54.840 -0.417 0.000 0.843 123 L CB 0.495 42.417 42.059 -0.230 0.000 1.107 123 L HN 0.327 nan 8.230 nan 0.000 0.487 124 N N 3.804 122.359 118.700 -0.240 0.000 2.719 124 N HA 0.185 4.925 4.740 -0.000 0.000 0.243 124 N C -1.225 174.283 175.510 -0.002 0.000 1.104 124 N CA -0.241 52.734 53.050 -0.124 0.000 0.981 124 N CB 0.032 38.441 38.487 -0.129 0.000 1.290 124 N HN 0.448 nan 8.380 nan 0.000 0.513 125 K N 4.468 124.867 120.400 -0.003 0.000 2.463 125 K HA 0.183 4.503 4.320 -0.000 0.000 0.255 125 K C -0.264 176.334 176.600 -0.003 0.000 0.942 125 K CA -0.602 55.705 56.287 0.034 0.000 0.814 125 K CB 1.415 33.760 32.500 -0.259 0.000 1.122 125 K HN 0.373 nan 8.250 nan 0.000 0.425 126 L N 3.526 124.795 121.223 0.077 0.000 2.004 126 L HA 0.126 4.466 4.340 -0.000 0.000 0.205 126 L C -0.329 176.574 176.870 0.055 0.000 1.089 126 L CA 1.915 56.791 54.840 0.060 0.000 0.756 126 L CB -0.080 42.032 42.059 0.089 0.000 0.900 126 L HN 0.891 nan 8.230 nan 0.000 0.440 127 D N -2.577 117.889 120.400 0.109 0.000 2.596 127 D HA 0.263 4.903 4.640 -0.000 0.000 0.262 127 D C -1.595 174.858 176.300 0.255 0.000 1.210 127 D CA -0.592 53.491 54.000 0.138 0.000 0.873 127 D CB 0.436 41.304 40.800 0.115 0.000 1.408 127 D HN -0.009 nan 8.370 nan 0.000 0.441 128 D N -0.635 119.924 120.400 0.266 0.000 2.365 128 D HA 0.272 4.912 4.640 -0.000 0.000 0.237 128 D C 0.659 177.033 176.300 0.124 0.000 1.190 128 D CA -0.291 53.878 54.000 0.282 0.000 0.867 128 D CB 0.780 41.745 40.800 0.275 0.000 1.050 128 D HN 0.391 nan 8.370 nan 0.000 0.491 129 T N 0.150 114.750 114.554 0.077 0.000 3.188 129 T HA 0.023 4.373 4.350 -0.000 0.000 0.250 129 T C 1.297 175.953 174.700 -0.073 0.000 1.077 129 T CA -0.148 61.968 62.100 0.027 0.000 0.967 129 T CB 0.073 68.988 68.868 0.079 0.000 1.006 129 T HN 0.533 nan 8.240 nan 0.000 0.552 130 E N 1.840 121.983 120.200 -0.096 0.000 2.112 130 E HA -0.064 4.286 4.350 -0.000 0.000 0.190 130 E C 0.708 177.253 176.600 -0.092 0.000 0.979 130 E CA 0.619 56.936 56.400 -0.138 0.000 0.814 130 E CB 0.194 29.782 29.700 -0.186 0.000 0.762 130 E HN 0.429 nan 8.360 nan 0.000 0.460 131 N N 0.152 118.822 118.700 -0.051 0.000 2.725 131 N HA 0.016 4.756 4.740 -0.000 0.000 0.225 131 N C -1.710 173.802 175.510 0.002 0.000 1.465 131 N CA -0.023 53.010 53.050 -0.029 0.000 0.830 131 N CB 0.729 39.194 38.487 -0.036 0.000 1.460 131 N HN 0.056 nan 8.380 nan 0.000 0.538 132 S N 0.210 115.921 115.700 0.018 0.000 2.554 132 S HA 0.034 4.504 4.470 -0.000 0.000 0.290 132 S C 1.326 175.951 174.600 0.041 0.000 1.309 132 S CA 0.336 58.564 58.200 0.046 0.000 1.047 132 S CB 0.349 63.589 63.200 0.068 0.000 0.828 132 S HN 0.531 nan 8.310 nan 0.000 0.509 133 N N 2.502 121.231 118.700 0.048 0.000 2.092 133 N HA 0.014 4.753 4.740 -0.000 0.000 0.189 133 N C 0.452 175.990 175.510 0.047 0.000 1.040 133 N CA 0.703 53.777 53.050 0.040 0.000 0.845 133 N CB -0.004 38.505 38.487 0.037 0.000 1.017 133 N HN 0.472 nan 8.380 nan 0.000 0.426 134 K N -0.708 119.730 120.400 0.064 0.000 1.944 134 K HA 0.204 4.524 4.320 -0.000 0.000 0.252 134 K C -1.537 175.154 176.600 0.151 0.000 0.834 134 K CA -0.569 55.772 56.287 0.090 0.000 0.691 134 K CB -0.020 32.518 32.500 0.064 0.000 1.738 134 K HN -0.034 nan 8.250 nan 0.000 0.540 135 Y N 1.860 122.172 120.300 0.019 0.000 2.363 135 Y HA 0.442 4.992 4.550 -0.000 0.000 0.325 135 Y C -1.142 174.769 175.900 0.018 0.000 0.984 135 Y CA -0.912 57.200 58.100 0.020 0.000 1.248 135 Y CB 0.681 39.152 38.460 0.018 0.000 1.116 135 Y HN 0.163 nan 8.280 nan 0.000 0.470 136 V N 5.451 125.149 119.914 -0.361 0.000 2.644 136 V HA 0.634 4.754 4.120 -0.000 0.000 0.295 136 V C 1.182 176.863 176.094 -0.688 0.000 1.053 136 V CA -0.355 61.678 62.300 -0.446 0.000 0.987 136 V CB 1.152 32.871 31.823 -0.173 0.000 1.006 136 V HN 0.993 nan 8.190 nan 0.000 0.472 137 G N 2.253 110.727 108.800 -0.543 0.000 2.855 137 G HA2 -0.038 3.922 3.960 -0.000 0.000 0.248 137 G HA3 -0.038 3.922 3.960 -0.000 0.000 0.248 137 G C 0.044 174.850 174.900 -0.156 0.000 1.243 137 G CA -0.401 44.480 45.100 -0.365 0.000 0.881 137 G HN 0.856 nan 8.290 nan 0.000 0.598 138 N N 0.197 118.876 118.700 -0.035 0.000 2.315 138 N HA 0.185 4.925 4.740 -0.000 0.000 0.270 138 N C 0.960 176.463 175.510 -0.011 0.000 1.329 138 N CA 0.642 53.700 53.050 0.013 0.000 0.860 138 N CB 0.567 39.073 38.487 0.031 0.000 1.095 138 N HN 0.692 nan 8.380 nan 0.000 0.487 139 S N 1.178 116.877 115.700 -0.002 0.000 2.634 139 S HA 0.399 4.869 4.470 -0.000 0.000 0.254 139 S C 1.123 175.721 174.600 -0.002 0.000 1.299 139 S CA -0.318 57.878 58.200 -0.006 0.000 0.974 139 S CB 0.522 63.724 63.200 0.004 0.000 1.001 139 S HN 0.502 nan 8.310 nan 0.000 0.584 140 G N -0.541 108.257 108.800 -0.003 0.000 3.086 140 G HA2 0.492 4.452 3.960 -0.000 0.000 0.159 140 G HA3 0.492 4.452 3.960 -0.000 0.000 0.159 140 G C -0.581 174.320 174.900 0.000 0.000 1.654 140 G CA -0.363 44.736 45.100 -0.002 0.000 1.078 140 G HN 0.775 nan 8.290 nan 0.000 0.558 141 T N 0.663 115.217 114.554 -0.001 0.000 2.855 141 T HA 0.464 4.814 4.350 -0.000 0.000 0.281 141 T C -0.975 173.724 174.700 -0.002 0.000 1.007 141 T CA 0.212 62.312 62.100 -0.001 0.000 1.009 141 T CB 1.332 70.199 68.868 -0.001 0.000 0.983 141 T HN 0.536 nan 8.240 nan 0.000 0.455 142 D N 2.288 122.686 120.400 -0.003 0.000 3.620 142 D HA -0.140 4.500 4.640 -0.000 0.000 0.237 142 D C -0.226 176.071 176.300 -0.006 0.000 1.111 142 D CA 0.395 54.392 54.000 -0.005 0.000 1.070 142 D CB -0.786 40.012 40.800 -0.003 0.000 0.891 142 D HN 0.612 nan 8.370 nan 0.000 0.412 143 N N 1.368 120.063 118.700 -0.007 0.000 2.321 143 N HA 0.111 4.851 4.740 -0.000 0.000 0.242 143 N C 0.045 175.545 175.510 -0.018 0.000 1.141 143 N CA -0.408 52.638 53.050 -0.008 0.000 0.864 143 N CB 0.490 38.977 38.487 -0.002 0.000 1.100 143 N HN 0.265 nan 8.380 nan 0.000 0.510 144 R N 1.397 121.883 120.500 -0.024 0.000 2.694 144 R HA 0.228 4.568 4.340 -0.000 0.000 0.268 144 R C 0.027 176.306 176.300 -0.035 0.000 1.061 144 R CA 0.121 56.196 56.100 -0.042 0.000 1.133 144 R CB 0.269 30.539 30.300 -0.050 0.000 1.020 144 R HN 0.391 nan 8.270 nan 0.000 0.475 145 E N 0.416 120.584 120.200 -0.052 0.000 2.392 145 E HA 0.155 4.505 4.350 -0.000 0.000 0.279 145 E C -1.257 175.323 176.600 -0.034 0.000 0.964 145 E CA -1.038 55.341 56.400 -0.035 0.000 0.777 145 E CB 1.220 30.893 29.700 -0.044 0.000 1.249 145 E HN 0.504 nan 8.360 nan 0.000 0.449 146 C N 3.259 122.557 119.300 -0.004 0.000 2.519 146 C HA 0.208 4.668 4.460 -0.000 0.000 0.402 146 C C -0.048 174.933 174.990 -0.015 0.000 1.475 146 C CA 0.291 59.316 59.018 0.011 0.000 1.504 146 C CB -1.881 25.872 27.740 0.021 0.000 2.454 146 C HN 0.506 nan 8.230 nan 0.000 0.615 147 I N 7.453 128.013 120.570 -0.017 0.000 2.548 147 I HA 0.270 4.439 4.170 -0.000 0.000 0.287 147 I C 0.370 176.486 176.117 -0.003 0.000 1.103 147 I CA -0.062 61.224 61.300 -0.023 0.000 1.049 147 I CB 2.025 39.989 38.000 -0.060 0.000 1.232 147 I HN 0.770 nan 8.210 nan 0.000 0.429 148 S N 7.107 122.805 115.700 -0.004 0.000 2.647 148 S HA 0.921 5.391 4.470 -0.000 0.000 0.284 148 S C -0.261 174.343 174.600 0.006 0.000 1.134 148 S CA -0.568 57.621 58.200 -0.019 0.000 1.027 148 S CB 2.332 65.515 63.200 -0.028 0.000 1.180 148 S HN 0.772 nan 8.310 nan 0.000 0.521 149 M N -0.738 118.844 119.600 -0.029 0.000 3.277 149 M HA 0.389 4.869 4.480 -0.000 0.000 0.282 149 M C -2.828 173.432 176.300 -0.066 0.000 1.009 149 M CA -0.734 54.568 55.300 0.004 0.000 0.822 149 M CB 0.961 33.633 32.600 0.121 0.000 1.620 149 M HN 0.736 nan 8.290 nan 0.000 0.557 150 D N 0.563 120.957 120.400 -0.010 0.000 2.549 150 D HA 0.530 5.170 4.640 -0.000 0.000 0.251 150 D C -1.341 175.022 176.300 0.104 0.000 1.153 150 D CA -0.449 53.535 54.000 -0.026 0.000 0.861 150 D CB 1.073 41.865 40.800 -0.013 0.000 1.207 150 D HN 0.535 nan 8.370 nan 0.000 0.543 151 Y N 1.165 121.508 120.300 0.071 0.000 2.335 151 Y HA 0.044 4.594 4.550 -0.000 0.000 0.348 151 Y C 1.571 177.501 175.900 0.050 0.000 1.280 151 Y CA -1.087 57.066 58.100 0.089 0.000 1.504 151 Y CB 0.730 39.266 38.460 0.126 0.000 1.366 151 Y HN 0.389 nan 8.280 nan 0.000 0.621 152 K N 2.062 122.588 120.400 0.210 0.000 2.561 152 K HA -0.148 4.172 4.320 -0.000 0.000 0.280 152 K C -0.500 176.178 176.600 0.130 0.000 0.975 152 K CA -0.081 56.275 56.287 0.115 0.000 1.024 152 K CB 0.357 32.913 32.500 0.095 0.000 0.883 152 K HN 0.674 nan 8.250 nan 0.000 0.496 153 Q N 2.972 122.835 119.800 0.105 0.000 2.290 153 Q HA 0.254 4.594 4.340 -0.000 0.000 0.259 153 Q C -1.368 174.689 176.000 0.095 0.000 0.941 153 Q CA -0.577 55.287 55.803 0.102 0.000 0.912 153 Q CB 1.610 30.399 28.738 0.084 0.000 1.244 153 Q HN 0.662 nan 8.270 nan 0.000 0.441 154 T N 3.176 117.787 114.554 0.095 0.000 2.916 154 T HA 0.483 4.833 4.350 -0.000 0.000 0.292 154 T C -0.968 173.771 174.700 0.065 0.000 1.055 154 T CA -0.856 61.293 62.100 0.083 0.000 1.009 154 T CB 1.660 70.584 68.868 0.093 0.000 1.118 154 T HN 0.656 nan 8.240 nan 0.000 0.497 155 Q N 1.700 121.523 119.800 0.037 0.000 2.650 155 Q HA 0.492 4.832 4.340 -0.000 0.000 0.239 155 Q C -1.118 174.907 176.000 0.042 0.000 0.893 155 Q CA -0.562 55.250 55.803 0.015 0.000 0.755 155 Q CB 1.166 29.787 28.738 -0.196 0.000 1.349 155 Q HN 0.628 nan 8.270 nan 0.000 0.461 156 L N -1.545 119.785 121.223 0.177 0.000 2.298 156 L HA 1.011 5.351 4.340 -0.000 0.000 0.268 156 L C -0.559 176.539 176.870 0.380 0.000 1.010 156 L CA -1.005 53.966 54.840 0.218 0.000 0.812 156 L CB 2.073 44.257 42.059 0.207 0.000 1.331 156 L HN 0.557 nan 8.230 nan 0.000 0.450 157 C N 1.491 120.974 119.300 0.305 0.000 3.008 157 C HA 0.633 5.093 4.460 -0.000 0.000 0.405 157 C C -1.180 173.965 174.990 0.259 0.000 1.046 157 C CA -0.566 58.664 59.018 0.353 0.000 1.249 157 C CB -0.283 27.784 27.740 0.545 0.000 1.656 157 C HN 0.825 nan 8.230 nan 0.000 0.517 158 L N 6.216 127.596 121.223 0.262 0.000 2.334 158 L HA 0.808 5.148 4.340 -0.000 0.000 0.276 158 L C -0.532 176.500 176.870 0.271 0.000 1.014 158 L CA -0.814 54.165 54.840 0.231 0.000 0.815 158 L CB 1.527 43.662 42.059 0.126 0.000 1.268 158 L HN 0.374 nan 8.230 nan 0.000 0.428 159 I N 1.842 122.602 120.570 0.316 0.000 2.439 159 I HA 0.725 4.895 4.170 -0.000 0.000 0.285 159 I C 0.305 176.422 176.117 -0.001 0.000 1.021 159 I CA -0.284 61.227 61.300 0.352 0.000 1.091 159 I CB 1.180 39.553 38.000 0.622 0.000 1.242 159 I HN 0.755 nan 8.210 nan 0.000 0.439 160 G N 3.153 111.857 108.800 -0.161 0.000 2.694 160 G HA2 0.441 4.401 3.960 -0.000 0.000 0.290 160 G HA3 0.441 4.401 3.960 -0.000 0.000 0.290 160 G C 0.169 174.935 174.900 -0.224 0.000 1.386 160 G CA -0.407 44.235 45.100 -0.763 0.000 0.872 160 G HN 0.680 nan 8.290 nan 0.000 0.475 161 C N -0.670 118.499 119.300 -0.217 0.000 2.673 161 C HA 0.586 5.046 4.460 -0.000 0.000 0.274 161 C C 0.616 175.754 174.990 0.246 0.000 1.276 161 C CA -0.744 58.441 59.018 0.279 0.000 1.701 161 C CB -1.604 26.392 27.740 0.427 0.000 1.836 161 C HN 0.473 nan 8.230 nan 0.000 0.596 162 R N 1.234 121.698 120.500 -0.061 0.000 2.808 162 R HA 0.559 4.899 4.340 -0.000 0.000 0.272 162 R C -2.999 172.779 176.300 -0.871 0.000 0.995 162 R CA -1.541 54.333 56.100 -0.378 0.000 0.917 162 R CB 1.464 31.647 30.300 -0.195 0.000 1.217 162 R HN 0.119 nan 8.270 nan 0.000 0.471 163 P HA 0.151 nan 4.420 nan 0.000 0.275 163 P C -2.520 174.474 177.300 -0.510 0.000 1.227 163 P CA -1.158 61.274 63.100 -1.114 0.000 0.781 163 P CB 0.867 31.992 31.700 -0.958 0.000 0.906 164 P HA 0.225 nan 4.420 nan 0.000 0.274 164 P C 0.184 177.317 177.300 -0.277 0.000 1.256 164 P CA -0.286 62.644 63.100 -0.284 0.000 0.795 164 P CB 0.759 32.319 31.700 -0.233 0.000 1.038 165 I N -2.475 117.946 120.570 -0.247 0.000 2.783 165 I HA 0.830 5.000 4.170 -0.000 0.000 0.312 165 I C -0.043 175.925 176.117 -0.249 0.000 0.988 165 I CA -0.848 60.315 61.300 -0.228 0.000 1.182 165 I CB 1.546 39.441 38.000 -0.175 0.000 1.368 165 I HN 0.337 nan 8.210 nan 0.000 0.511 166 G N 2.691 111.366 108.800 -0.209 0.000 2.638 166 G HA2 0.564 4.524 3.960 -0.000 0.000 0.302 166 G HA3 0.564 4.524 3.960 -0.000 0.000 0.302 166 G C -1.579 173.276 174.900 -0.075 0.000 1.365 166 G CA -0.705 44.283 45.100 -0.186 0.000 0.987 166 G HN 0.878 nan 8.290 nan 0.000 0.495 167 E N 0.817 120.998 120.200 -0.032 0.000 2.207 167 E HA 0.712 5.062 4.350 -0.000 0.000 0.270 167 E C -0.949 175.661 176.600 0.017 0.000 0.927 167 E CA -0.996 55.372 56.400 -0.052 0.000 0.799 167 E CB 2.096 31.709 29.700 -0.145 0.000 1.172 167 E HN 0.694 nan 8.360 nan 0.000 0.404 168 H N 0.589 119.530 119.070 -0.215 0.000 3.094 168 H HA 0.194 4.750 4.556 -0.000 0.000 0.346 168 H C -1.906 173.313 175.328 -0.181 0.000 1.238 168 H CA -1.278 54.682 56.048 -0.145 0.000 1.209 168 H CB 0.058 29.814 29.762 -0.010 0.000 1.911 168 H HN 0.697 nan 8.280 nan 0.000 0.540 169 W N 1.993 123.207 121.300 -0.143 0.000 2.304 169 W HA 0.539 5.199 4.660 -0.000 0.000 0.313 169 W C 0.721 177.085 176.519 -0.258 0.000 1.323 169 W CA 0.361 57.578 57.345 -0.213 0.000 1.223 169 W CB 1.452 30.845 29.460 -0.112 0.000 1.237 169 W HN 0.855 nan 8.180 nan 0.000 0.535 170 G N 1.931 110.730 108.800 -0.002 0.000 2.818 170 G HA2 0.376 4.336 3.960 -0.000 0.000 0.286 170 G HA3 0.376 4.336 3.960 -0.000 0.000 0.286 170 G C -1.511 173.416 174.900 0.045 0.000 1.364 170 G CA -1.217 43.883 45.100 0.001 0.000 0.938 170 G HN 0.303 nan 8.290 nan 0.000 0.490 171 K N 0.470 120.892 120.400 0.037 0.000 2.307 171 K HA 0.358 4.678 4.320 -0.000 0.000 0.285 171 K C 0.699 177.314 176.600 0.025 0.000 1.073 171 K CA -0.044 56.259 56.287 0.026 0.000 0.996 171 K CB -0.337 32.177 32.500 0.024 0.000 0.994 171 K HN 0.508 nan 8.250 nan 0.000 0.452 172 G N 2.498 111.314 108.800 0.026 0.000 2.507 172 G HA2 0.107 4.067 3.960 -0.000 0.000 0.271 172 G HA3 0.107 4.067 3.960 -0.000 0.000 0.271 172 G C -0.586 174.323 174.900 0.015 0.000 1.189 172 G CA -0.633 44.480 45.100 0.023 0.000 0.859 172 G HN 0.595 nan 8.290 nan 0.000 0.542 173 T N 3.549 118.110 114.554 0.013 0.000 2.799 173 T HA 0.296 4.646 4.350 -0.000 0.000 0.296 173 T C -1.418 173.286 174.700 0.007 0.000 0.947 173 T CA -0.579 61.526 62.100 0.009 0.000 1.141 173 T CB 0.832 69.706 68.868 0.008 0.000 0.891 173 T HN 0.474 nan 8.240 nan 0.000 0.533 174 P HA 0.133 nan 4.420 nan 0.000 0.270 174 P C 0.073 177.374 177.300 0.003 0.000 1.227 174 P CA -0.422 62.679 63.100 0.003 0.000 0.788 174 P CB 0.476 32.176 31.700 0.001 0.000 0.926 175 S N -0.137 115.564 115.700 0.002 0.000 2.694 175 S HA 0.154 4.624 4.470 -0.000 0.000 0.278 175 S C 0.524 175.126 174.600 0.002 0.000 1.152 175 S CA -0.900 57.302 58.200 0.003 0.000 1.010 175 S CB 0.089 63.291 63.200 0.003 0.000 1.104 175 S HN 0.547 nan 8.310 nan 0.000 0.547 176 N N 1.405 120.106 118.700 0.002 0.000 2.484 176 N HA 0.279 5.019 4.740 -0.000 0.000 0.295 176 N C -0.070 175.440 175.510 0.001 0.000 1.240 176 N CA 0.420 53.470 53.050 0.001 0.000 1.085 176 N CB -0.701 37.787 38.487 0.001 0.000 1.465 176 N HN 0.719 nan 8.380 nan 0.000 0.496 177 A N 3.246 126.066 122.820 0.000 0.000 4.087 177 A HA 0.280 4.600 4.320 -0.000 0.000 0.137 177 A C -0.648 176.936 177.584 -0.000 0.000 1.114 177 A CA -0.475 51.561 52.037 -0.000 0.000 2.001 177 A CB 0.165 19.165 19.000 -0.000 0.000 2.638 177 A HN 0.482 nan 8.150 nan 0.000 1.123 178 N N 1.637 120.336 118.700 -0.001 0.000 2.508 178 N HA 0.331 5.071 4.740 -0.000 0.000 0.264 178 N C -0.207 175.303 175.510 -0.001 0.000 1.216 178 N CA -0.033 53.016 53.050 -0.001 0.000 0.943 178 N CB 0.451 38.937 38.487 -0.002 0.000 1.113 178 N HN 0.538 nan 8.380 nan 0.000 0.447 179 Q N 1.883 121.683 119.800 -0.001 0.000 2.323 179 Q HA 0.110 4.450 4.340 -0.000 0.000 0.257 179 Q C -0.784 175.215 176.000 -0.002 0.000 1.022 179 Q CA -0.445 55.357 55.803 -0.001 0.000 0.919 179 Q CB 0.436 29.173 28.738 -0.001 0.000 1.220 179 Q HN 0.434 nan 8.270 nan 0.000 0.427 180 V N 6.825 126.738 119.914 -0.002 0.000 2.165 180 V HA -0.110 4.010 4.120 -0.000 0.000 0.233 180 V C 0.976 177.068 176.094 -0.003 0.000 1.424 180 V CA 0.178 62.476 62.300 -0.003 0.000 1.454 180 V CB -1.704 30.116 31.823 -0.004 0.000 1.497 180 V HN 0.628 nan 8.190 nan 0.000 0.494 181 K N 2.404 122.802 120.400 -0.003 0.000 2.229 181 K HA 0.277 4.597 4.320 -0.000 0.000 0.250 181 K C 0.358 176.956 176.600 -0.003 0.000 1.016 181 K CA 0.392 56.677 56.287 -0.002 0.000 0.866 181 K CB 0.351 32.850 32.500 -0.002 0.000 1.028 181 K HN 0.382 nan 8.250 nan 0.000 0.514 182 A N -0.464 122.354 122.820 -0.002 0.000 2.483 182 A HA 0.428 4.748 4.320 -0.000 0.000 0.238 182 A C 1.324 178.906 177.584 -0.004 0.000 1.070 182 A CA 0.809 52.844 52.037 -0.003 0.000 0.770 182 A CB -0.853 18.146 19.000 -0.002 0.000 1.008 182 A HN 1.313 nan 8.150 nan 0.000 0.497 183 G N 0.528 109.325 108.800 -0.005 0.000 2.397 183 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.211 183 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.211 183 G C 0.314 175.208 174.900 -0.009 0.000 1.077 183 G CA 0.237 45.333 45.100 -0.006 0.000 0.649 183 G HN 0.832 nan 8.290 nan 0.000 0.511 184 E N 0.437 120.632 120.200 -0.009 0.000 2.485 184 E HA 0.248 4.598 4.350 -0.000 0.000 0.266 184 E C 0.665 177.256 176.600 -0.015 0.000 1.090 184 E CA 0.118 56.511 56.400 -0.011 0.000 0.987 184 E CB 0.630 30.325 29.700 -0.009 0.000 0.974 184 E HN 0.722 nan 8.360 nan 0.000 0.455 185 C N 5.278 124.567 119.300 -0.019 0.000 2.265 185 C HA 0.429 4.889 4.460 -0.000 0.000 0.332 185 C C -2.039 172.935 174.990 -0.027 0.000 1.248 185 C CA -1.754 57.248 59.018 -0.027 0.000 1.727 185 C CB -0.524 27.196 27.740 -0.034 0.000 2.348 185 C HN 0.400 nan 8.230 nan 0.000 0.519 186 P HA 0.309 nan 4.420 nan 0.000 0.272 186 P C -2.620 174.664 177.300 -0.026 0.000 1.223 186 P CA -0.996 62.093 63.100 -0.019 0.000 0.784 186 P CB 0.148 31.840 31.700 -0.013 0.000 0.923 187 P HA 0.123 nan 4.420 nan 0.000 0.271 187 P C -0.579 176.714 177.300 -0.012 0.000 1.216 187 P CA -0.033 63.054 63.100 -0.020 0.000 0.776 187 P CB 0.557 32.252 31.700 -0.007 0.000 0.881 188 L N 2.175 123.381 121.223 -0.028 0.000 2.357 188 L HA 0.461 4.801 4.340 -0.000 0.000 0.273 188 L C 0.781 177.729 176.870 0.129 0.000 1.080 188 L CA -0.050 54.799 54.840 0.015 0.000 0.803 188 L CB 0.255 42.235 42.059 -0.131 0.000 1.174 188 L HN 0.538 nan 8.230 nan 0.000 0.443 189 E N 1.588 121.907 120.200 0.197 0.000 2.256 189 E HA 0.284 4.634 4.350 -0.000 0.000 0.268 189 E C -1.483 175.172 176.600 0.091 0.000 0.877 189 E CA -0.935 55.572 56.400 0.180 0.000 0.757 189 E CB 2.673 32.410 29.700 0.062 0.000 1.183 189 E HN 0.352 nan 8.360 nan 0.000 0.418 190 L N 5.729 126.927 121.223 -0.041 0.000 2.369 190 L HA 0.322 4.662 4.340 -0.000 0.000 0.279 190 L C -1.234 175.430 176.870 -0.343 0.000 1.108 190 L CA 0.285 54.829 54.840 -0.494 0.000 0.852 190 L CB 0.175 41.821 42.059 -0.689 0.000 1.169 190 L HN 0.451 nan 8.230 nan 0.000 0.452 191 L N 4.571 125.535 121.223 -0.431 0.000 2.322 191 L HA 0.618 4.958 4.340 -0.000 0.000 0.269 191 L C -0.208 176.590 176.870 -0.120 0.000 1.012 191 L CA -0.907 53.790 54.840 -0.238 0.000 0.815 191 L CB 1.469 43.416 42.059 -0.186 0.000 1.295 191 L HN 0.512 nan 8.230 nan 0.000 0.438 192 N N -0.037 118.635 118.700 -0.046 0.000 2.443 192 N HA 0.708 5.448 4.740 -0.000 0.000 0.293 192 N C -0.724 174.786 175.510 0.001 0.000 1.159 192 N CA -0.322 52.708 53.050 -0.033 0.000 0.904 192 N CB 2.199 40.651 38.487 -0.059 0.000 1.214 192 N HN 0.703 nan 8.380 nan 0.000 0.513 193 T N -1.802 112.725 114.554 -0.045 0.000 2.827 193 T HA 0.287 4.637 4.350 -0.000 0.000 0.328 193 T C -1.733 172.869 174.700 -0.163 0.000 1.598 193 T CA -0.597 61.462 62.100 -0.068 0.000 1.043 193 T CB 0.415 69.254 68.868 -0.047 0.000 1.447 193 T HN 0.023 nan 8.240 nan 0.000 0.491 194 V N 4.318 124.093 119.914 -0.230 0.000 2.408 194 V HA 0.385 4.505 4.120 -0.000 0.000 0.267 194 V C 0.560 176.466 176.094 -0.312 0.000 1.047 194 V CA -0.587 61.502 62.300 -0.352 0.000 0.937 194 V CB 0.794 32.211 31.823 -0.677 0.000 0.999 194 V HN 0.768 nan 8.190 nan 0.000 0.472 195 L N 6.715 127.764 121.223 -0.291 0.000 2.562 195 L HA 0.189 4.529 4.340 -0.000 0.000 0.271 195 L C 0.350 177.183 176.870 -0.063 0.000 1.167 195 L CA 0.582 55.246 54.840 -0.292 0.000 0.917 195 L CB -0.015 41.797 42.059 -0.411 0.000 1.187 195 L HN 0.670 nan 8.230 nan 0.000 0.482 196 Q N 2.898 122.670 119.800 -0.047 0.000 2.356 196 Q HA 0.228 4.568 4.340 -0.000 0.000 0.270 196 Q C -0.740 175.334 176.000 0.123 0.000 1.058 196 Q CA -0.920 54.965 55.803 0.136 0.000 0.802 196 Q CB 2.625 31.336 28.738 -0.045 0.000 1.303 196 Q HN 0.489 nan 8.270 nan 0.000 0.444 197 D N 0.716 121.251 120.400 0.225 0.000 2.601 197 D HA -0.077 4.563 4.640 -0.000 0.000 0.229 197 D C 0.756 177.108 176.300 0.088 0.000 1.140 197 D CA 2.327 56.409 54.000 0.137 0.000 0.862 197 D CB 0.528 41.414 40.800 0.143 0.000 1.192 197 D HN 0.853 nan 8.370 nan 0.000 0.480 198 G N 2.989 111.849 108.800 0.100 0.000 2.175 198 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.244 198 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.244 198 G C 0.147 175.117 174.900 0.116 0.000 0.982 198 G CA 0.263 45.416 45.100 0.088 0.000 0.641 198 G HN 0.627 nan 8.290 nan 0.000 0.527 199 D N 0.518 121.008 120.400 0.151 0.000 2.358 199 D HA 0.536 5.176 4.640 -0.000 0.000 0.244 199 D C 1.059 177.556 176.300 0.329 0.000 1.163 199 D CA 0.080 54.177 54.000 0.163 0.000 0.945 199 D CB 0.421 41.227 40.800 0.010 0.000 1.152 199 D HN 0.038 nan 8.370 nan 0.000 0.451 200 M N 1.112 120.877 119.600 0.275 0.000 2.238 200 M HA 0.232 4.712 4.480 -0.000 0.000 0.350 200 M C -0.230 176.316 176.300 0.409 0.000 1.138 200 M CA -0.999 54.475 55.300 0.290 0.000 1.040 200 M CB 0.989 33.699 32.600 0.184 0.000 1.639 200 M HN 0.043 nan 8.290 nan 0.000 0.451 201 V N 1.061 121.138 119.914 0.271 0.000 3.051 201 V HA 0.172 4.292 4.120 -0.000 0.000 0.306 201 V C 0.668 176.894 176.094 0.220 0.000 1.083 201 V CA -1.012 61.402 62.300 0.190 0.000 1.104 201 V CB 0.041 31.814 31.823 -0.084 0.000 1.027 201 V HN 0.902 nan 8.190 nan 0.000 0.483 202 D N 1.209 121.773 120.400 0.273 0.000 2.382 202 D HA 0.042 4.682 4.640 -0.000 0.000 0.240 202 D C 0.733 177.109 176.300 0.126 0.000 1.146 202 D CA 0.431 54.583 54.000 0.253 0.000 0.897 202 D CB 1.497 42.484 40.800 0.312 0.000 1.197 202 D HN 0.868 nan 8.370 nan 0.000 0.432 203 T N -3.201 111.369 114.554 0.027 0.000 3.084 203 T HA 0.445 4.795 4.350 -0.000 0.000 0.270 203 T C 1.207 175.879 174.700 -0.047 0.000 1.008 203 T CA 0.274 62.268 62.100 -0.176 0.000 0.900 203 T CB 0.041 68.289 68.868 -1.033 0.000 1.084 203 T HN 0.839 nan 8.240 nan 0.000 0.538 204 G N 0.896 109.721 108.800 0.041 0.000 2.229 204 G HA2 -0.133 3.827 3.960 -0.000 0.000 0.189 204 G HA3 -0.133 3.827 3.960 -0.000 0.000 0.189 204 G C 0.132 174.915 174.900 -0.195 0.000 1.000 204 G CA -0.189 44.872 45.100 -0.065 0.000 0.663 204 G HN 0.462 nan 8.290 nan 0.000 0.493 205 F N 1.982 121.989 119.950 0.095 0.000 2.647 205 F HA 0.527 5.054 4.527 -0.000 0.000 0.300 205 F C 1.495 177.431 175.800 0.226 0.000 1.106 205 F CA 0.630 58.743 58.000 0.189 0.000 1.313 205 F CB 0.918 40.076 39.000 0.263 0.000 1.007 205 F HN 0.825 nan 8.300 nan 0.000 0.536 206 G N 0.847 109.822 108.800 0.292 0.000 2.746 206 G HA2 0.144 4.104 3.960 -0.000 0.000 0.685 206 G HA3 0.144 4.104 3.960 -0.000 0.000 0.685 206 G C -0.613 174.481 174.900 0.324 0.000 1.350 206 G CA -0.719 44.538 45.100 0.263 0.000 0.837 206 G HN 0.603 nan 8.290 nan 0.000 0.564 207 A N 0.860 123.861 122.820 0.301 0.000 2.478 207 A HA 0.788 5.108 4.320 -0.000 0.000 0.327 207 A C 0.544 178.304 177.584 0.294 0.000 1.431 207 A CA 0.883 53.106 52.037 0.310 0.000 1.014 207 A CB -0.501 18.665 19.000 0.277 0.000 1.143 207 A HN 2.001 nan 8.150 nan 0.000 0.532 208 M N 0.106 119.833 119.600 0.211 0.000 3.372 208 M HA 0.668 5.148 4.480 -0.000 0.000 0.292 208 M C -1.718 174.640 176.300 0.097 0.000 1.391 208 M CA -0.847 54.516 55.300 0.106 0.000 0.786 208 M CB 1.399 33.922 32.600 -0.127 0.000 1.798 208 M HN 0.240 nan 8.290 nan 0.000 0.442 209 D N 0.305 120.731 120.400 0.043 0.000 2.441 209 D HA 0.397 5.037 4.640 -0.000 0.000 0.231 209 D C -0.484 175.777 176.300 -0.065 0.000 1.073 209 D CA -0.440 53.623 54.000 0.103 0.000 0.850 209 D CB 0.683 41.607 40.800 0.208 0.000 1.062 209 D HN 0.549 nan 8.370 nan 0.000 0.524 210 F N 1.274 121.273 119.950 0.082 0.000 2.325 210 F HA -0.057 4.470 4.527 -0.000 0.000 0.299 210 F C 2.424 178.240 175.800 0.027 0.000 1.090 210 F CA 0.920 58.945 58.000 0.041 0.000 1.392 210 F CB -0.192 38.815 39.000 0.013 0.000 1.053 210 F HN 0.347 nan 8.300 nan 0.000 0.521 211 T N -2.487 112.170 114.554 0.171 0.000 2.894 211 T HA -0.107 4.243 4.350 -0.000 0.000 0.258 211 T C 2.107 176.849 174.700 0.071 0.000 1.043 211 T CA 1.481 63.647 62.100 0.108 0.000 1.141 211 T CB -0.898 68.025 68.868 0.092 0.000 0.873 211 T HN 0.350 nan 8.240 nan 0.000 0.449 212 T N 0.277 114.869 114.554 0.064 0.000 2.978 212 T HA 0.142 4.492 4.350 -0.000 0.000 0.262 212 T C 1.774 176.486 174.700 0.020 0.000 1.063 212 T CA 0.334 62.459 62.100 0.041 0.000 1.140 212 T CB -0.413 68.484 68.868 0.049 0.000 0.886 212 T HN 0.088 nan 8.240 nan 0.000 0.470 213 L N 0.745 121.970 121.223 0.003 0.000 2.416 213 L HA 0.394 4.734 4.340 -0.000 0.000 0.216 213 L C 0.745 177.600 176.870 -0.024 0.000 1.098 213 L CA 0.904 55.727 54.840 -0.028 0.000 0.840 213 L CB -0.235 41.778 42.059 -0.076 0.000 0.981 213 L HN 0.407 nan 8.230 nan 0.000 0.462 214 Q N -1.385 118.416 119.800 0.002 0.000 2.381 214 Q HA 0.490 4.830 4.340 -0.000 0.000 0.263 214 Q C 0.775 176.789 176.000 0.023 0.000 1.030 214 Q CA 0.122 55.933 55.803 0.014 0.000 0.772 214 Q CB 1.770 30.532 28.738 0.040 0.000 1.232 214 Q HN 0.138 nan 8.270 nan 0.000 0.476 215 A N 3.627 126.452 122.820 0.010 0.000 1.835 215 A HA -0.231 4.089 4.320 -0.000 0.000 0.215 215 A C 1.816 179.407 177.584 0.011 0.000 1.199 215 A CA 1.909 53.952 52.037 0.011 0.000 0.615 215 A CB -0.610 18.392 19.000 0.004 0.000 0.838 215 A HN 0.916 nan 8.150 nan 0.000 0.444 216 N N 1.392 120.092 118.700 0.001 0.000 2.405 216 N HA -0.294 4.446 4.740 -0.000 0.000 0.189 216 N C 0.626 176.139 175.510 0.004 0.000 1.021 216 N CA 1.872 54.919 53.050 -0.005 0.000 0.891 216 N CB -0.816 37.656 38.487 -0.025 0.000 0.955 216 N HN 0.745 nan 8.380 nan 0.000 0.443 217 K N -1.898 118.512 120.400 0.017 0.000 2.948 217 K HA -0.192 4.128 4.320 -0.000 0.000 0.253 217 K C -0.274 176.373 176.600 0.079 0.000 0.970 217 K CA 1.161 57.478 56.287 0.051 0.000 0.716 217 K CB -2.384 30.152 32.500 0.061 0.000 1.249 217 K HN 0.233 nan 8.250 nan 0.000 0.483 218 S N 0.320 115.987 115.700 -0.055 0.000 2.733 218 S HA 0.021 4.491 4.470 -0.000 0.000 0.247 218 S C -0.055 174.286 174.600 -0.432 0.000 1.043 218 S CA 0.157 58.193 58.200 -0.272 0.000 1.066 218 S CB 0.423 63.502 63.200 -0.201 0.000 1.045 218 S HN 0.621 nan 8.310 nan 0.000 0.586 219 D N 1.894 122.122 120.400 -0.286 0.000 2.738 219 D HA 0.305 4.945 4.640 -0.000 0.000 0.246 219 D C -0.131 175.894 176.300 -0.459 0.000 1.270 219 D CA -0.444 53.334 54.000 -0.371 0.000 0.833 219 D CB 0.071 40.662 40.800 -0.349 0.000 1.040 219 D HN 0.150 nan 8.370 nan 0.000 0.487 220 V N -4.741 114.914 119.914 -0.432 0.000 2.903 220 V HA 0.464 4.584 4.120 -0.000 0.000 0.289 220 V C -3.056 172.877 176.094 -0.269 0.000 1.355 220 V CA -2.081 59.885 62.300 -0.558 0.000 0.953 220 V CB 1.536 32.955 31.823 -0.673 0.000 1.102 220 V HN -0.232 nan 8.190 nan 0.000 0.435 221 P HA 0.093 nan 4.420 nan 0.000 0.269 221 P C 1.144 178.423 177.300 -0.035 0.000 1.205 221 P CA -0.100 62.974 63.100 -0.044 0.000 0.780 221 P CB 0.482 32.132 31.700 -0.083 0.000 0.858 222 L N 2.224 123.412 121.223 -0.058 0.000 1.951 222 L HA -0.260 4.080 4.340 -0.000 0.000 0.222 222 L C 2.052 178.944 176.870 0.036 0.000 1.078 222 L CA 2.835 57.660 54.840 -0.025 0.000 0.778 222 L CB -2.339 39.727 42.059 0.011 0.000 0.893 222 L HN 0.537 nan 8.230 nan 0.000 0.436 223 D N -0.069 120.382 120.400 0.086 0.000 2.453 223 D HA -0.276 4.364 4.640 -0.000 0.000 0.204 223 D C 1.483 177.836 176.300 0.088 0.000 1.015 223 D CA 2.201 56.305 54.000 0.173 0.000 0.950 223 D CB -0.571 40.408 40.800 0.298 0.000 0.874 223 D HN 0.731 nan 8.370 nan 0.000 0.464 224 I N -3.607 116.932 120.570 -0.052 0.000 4.730 224 I HA 0.226 4.396 4.170 -0.000 0.000 0.332 224 I C 1.813 177.737 176.117 -0.323 0.000 1.299 224 I CA -0.163 60.999 61.300 -0.229 0.000 1.294 224 I CB 0.012 37.704 38.000 -0.513 0.000 1.317 224 I HN 0.156 nan 8.210 nan 0.000 0.457 225 C N 1.064 120.238 119.300 -0.210 0.000 2.437 225 C HA 0.174 4.634 4.460 -0.000 0.000 0.283 225 C C 2.111 177.126 174.990 0.042 0.000 1.424 225 C CA 0.555 59.491 59.018 -0.137 0.000 1.782 225 C CB -1.853 25.874 27.740 -0.021 0.000 1.833 225 C HN 0.689 nan 8.230 nan 0.000 0.532 226 S N -0.468 115.262 115.700 0.051 0.000 2.749 226 S HA 0.420 4.890 4.470 -0.000 0.000 0.246 226 S C 0.151 174.811 174.600 0.099 0.000 1.023 226 S CA -0.172 58.079 58.200 0.086 0.000 1.012 226 S CB -0.120 63.111 63.200 0.052 0.000 0.942 226 S HN 0.587 nan 8.310 nan 0.000 0.531 227 S N 0.870 116.642 115.700 0.120 0.000 2.874 227 S HA 0.686 5.156 4.470 -0.000 0.000 0.318 227 S C -0.650 174.084 174.600 0.224 0.000 1.109 227 S CA -0.931 57.344 58.200 0.126 0.000 0.878 227 S CB 0.635 63.888 63.200 0.089 0.000 1.307 227 S HN 0.365 nan 8.310 nan 0.000 0.592 228 I N 0.819 121.482 120.570 0.155 0.000 2.441 228 I HA 0.383 4.553 4.170 -0.000 0.000 0.295 228 I C -0.989 175.248 176.117 0.201 0.000 0.994 228 I CA -0.456 60.941 61.300 0.161 0.000 1.144 228 I CB 1.436 39.387 38.000 -0.081 0.000 1.314 228 I HN 0.443 nan 8.210 nan 0.000 0.445 229 C N 5.940 125.441 119.300 0.335 0.000 2.303 229 C HA 0.464 4.924 4.460 -0.000 0.000 0.326 229 C C 0.297 175.447 174.990 0.266 0.000 1.285 229 C CA -0.632 58.576 59.018 0.317 0.000 1.675 229 C CB 0.502 28.492 27.740 0.418 0.000 2.289 229 C HN 0.725 nan 8.230 nan 0.000 0.512 230 K N 1.651 122.193 120.400 0.237 0.000 2.306 230 K HA 0.630 4.950 4.320 -0.000 0.000 0.236 230 K C -1.464 175.314 176.600 0.297 0.000 1.013 230 K CA -0.615 55.769 56.287 0.162 0.000 0.857 230 K CB 1.941 34.382 32.500 -0.099 0.000 1.214 230 K HN 0.658 nan 8.250 nan 0.000 0.449 231 Y N 0.655 121.020 120.300 0.107 0.000 2.361 231 Y HA 0.276 4.826 4.550 -0.000 0.000 0.328 231 Y C -2.741 173.135 175.900 -0.041 0.000 1.044 231 Y CA -2.209 55.971 58.100 0.133 0.000 1.085 231 Y CB 1.908 40.443 38.460 0.126 0.000 1.194 231 Y HN 0.370 nan 8.280 nan 0.000 0.438 232 P HA -0.108 nan 4.420 nan 0.000 0.257 232 P C -0.600 176.328 177.300 -0.621 0.000 1.162 232 P CA 0.774 63.426 63.100 -0.746 0.000 0.762 232 P CB 0.406 31.349 31.700 -1.262 0.000 0.753 233 D N 3.466 123.661 120.400 -0.343 0.000 2.545 233 D HA -0.020 4.620 4.640 -0.000 0.000 0.227 233 D C 0.554 176.745 176.300 -0.182 0.000 1.150 233 D CA 0.020 53.929 54.000 -0.152 0.000 1.046 233 D CB -0.263 40.462 40.800 -0.126 0.000 1.098 233 D HN 0.328 nan 8.370 nan 0.000 0.502 234 Y N 1.182 121.469 120.300 -0.022 0.000 2.274 234 Y HA -0.163 4.386 4.550 -0.000 0.000 0.290 234 Y C 2.256 178.104 175.900 -0.086 0.000 1.145 234 Y CA 0.642 58.672 58.100 -0.115 0.000 1.203 234 Y CB -0.031 38.386 38.460 -0.072 0.000 0.984 234 Y HN 0.316 nan 8.280 nan 0.000 0.533 235 L N -0.061 121.234 121.223 0.120 0.000 2.027 235 L HA -0.213 4.127 4.340 -0.000 0.000 0.206 235 L C 2.602 179.482 176.870 0.018 0.000 1.074 235 L CA 1.516 56.398 54.840 0.070 0.000 0.745 235 L CB -0.422 41.679 42.059 0.070 0.000 0.898 235 L HN 0.154 nan 8.230 nan 0.000 0.433 236 K N 0.167 120.560 120.400 -0.011 0.000 1.984 236 K HA -0.180 4.140 4.320 -0.000 0.000 0.209 236 K C 2.230 178.806 176.600 -0.040 0.000 1.046 236 K CA 1.471 57.741 56.287 -0.029 0.000 0.934 236 K CB -0.092 32.378 32.500 -0.050 0.000 0.717 236 K HN 0.124 nan 8.250 nan 0.000 0.438 237 M N 0.567 120.119 119.600 -0.080 0.000 2.108 237 M HA -0.220 4.260 4.480 -0.000 0.000 0.257 237 M C 2.153 178.418 176.300 -0.058 0.000 1.071 237 M CA 1.564 56.805 55.300 -0.098 0.000 1.093 237 M CB -0.297 32.195 32.600 -0.180 0.000 1.345 237 M HN 0.024 nan 8.290 nan 0.000 0.403 238 V N -0.940 118.942 119.914 -0.053 0.000 2.626 238 V HA -0.186 3.934 4.120 -0.000 0.000 0.252 238 V C 1.949 178.061 176.094 0.030 0.000 1.067 238 V CA 1.751 64.043 62.300 -0.014 0.000 1.081 238 V CB -0.291 31.529 31.823 -0.004 0.000 0.686 238 V HN 0.399 nan 8.190 nan 0.000 0.468 239 S N -1.181 114.534 115.700 0.025 0.000 2.556 239 S HA 0.062 4.532 4.470 -0.000 0.000 0.216 239 S C 0.814 175.440 174.600 0.044 0.000 0.970 239 S CA -0.261 57.963 58.200 0.039 0.000 0.912 239 S CB -0.212 63.006 63.200 0.030 0.000 0.790 239 S HN 0.791 nan 8.310 nan 0.000 0.504 240 E N 3.400 123.624 120.200 0.041 0.000 2.465 240 E HA -0.008 4.342 4.350 -0.000 0.000 0.260 240 E C -1.368 175.282 176.600 0.083 0.000 0.980 240 E CA -1.295 55.135 56.400 0.049 0.000 0.927 240 E CB 0.707 30.437 29.700 0.050 0.000 0.934 240 E HN 0.045 nan 8.360 nan 0.000 0.459 241 P HA -0.234 nan 4.420 nan 0.000 0.215 241 P C 0.738 178.065 177.300 0.046 0.000 1.163 241 P CA 1.713 64.781 63.100 -0.055 0.000 0.894 241 P CB -0.148 31.364 31.700 -0.313 0.000 0.791 242 Y N -0.515 119.873 120.300 0.147 0.000 2.365 242 Y HA 0.247 4.797 4.550 -0.000 0.000 0.293 242 Y C 1.653 177.737 175.900 0.307 0.000 1.119 242 Y CA 0.684 58.909 58.100 0.208 0.000 1.203 242 Y CB -0.698 37.842 38.460 0.133 0.000 1.026 242 Y HN 0.041 nan 8.280 nan 0.000 0.549 243 G N 1.446 110.463 108.800 0.362 0.000 2.415 243 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.283 243 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.283 243 G C -0.057 175.005 174.900 0.271 0.000 1.014 243 G CA 0.451 45.712 45.100 0.268 0.000 1.323 243 G HN 0.422 nan 8.290 nan 0.000 0.502 244 D N 0.444 120.950 120.400 0.176 0.000 2.525 244 D HA 0.021 4.661 4.640 -0.000 0.000 0.248 244 D C 2.424 178.632 176.300 -0.154 0.000 1.000 244 D CA 0.591 54.672 54.000 0.136 0.000 0.923 244 D CB 0.009 40.921 40.800 0.186 0.000 1.101 244 D HN 0.473 nan 8.370 nan 0.000 0.493 245 M N 0.885 120.422 119.600 -0.105 0.000 2.151 245 M HA -0.189 4.291 4.480 -0.000 0.000 0.256 245 M C 0.098 176.229 176.300 -0.282 0.000 1.072 245 M CA 1.726 56.915 55.300 -0.185 0.000 1.090 245 M CB 0.038 32.561 32.600 -0.129 0.000 1.294 245 M HN 0.067 nan 8.290 nan 0.000 0.415 246 L N -3.550 117.528 121.223 -0.241 0.000 2.434 246 L HA 0.510 4.850 4.340 -0.000 0.000 0.260 246 L C -0.831 175.969 176.870 -0.116 0.000 0.983 246 L CA -0.971 53.697 54.840 -0.286 0.000 0.820 246 L CB 1.274 43.243 42.059 -0.150 0.000 1.361 246 L HN 0.205 nan 8.230 nan 0.000 0.410 247 F N 0.241 120.332 119.950 0.235 0.000 2.772 247 F HA 0.717 5.244 4.527 -0.000 0.000 0.316 247 F C -0.537 175.516 175.800 0.421 0.000 1.114 247 F CA -1.564 56.599 58.000 0.271 0.000 1.191 247 F CB -0.124 39.013 39.000 0.228 0.000 1.065 247 F HN 0.378 nan 8.300 nan 0.000 0.534 248 F N 2.107 122.332 119.950 0.458 0.000 2.655 248 F HA 0.478 5.005 4.527 -0.000 0.000 0.324 248 F C -1.732 174.305 175.800 0.396 0.000 1.081 248 F CA -1.692 56.540 58.000 0.386 0.000 1.088 248 F CB 0.744 39.947 39.000 0.339 0.000 1.327 248 F HN 0.137 nan 8.300 nan 0.000 0.522 249 Y N 4.088 123.986 120.300 -0.671 0.000 2.638 249 Y HA 0.893 5.443 4.550 -0.000 0.000 0.335 249 Y C -2.269 173.255 175.900 -0.627 0.000 1.155 249 Y CA -1.676 56.149 58.100 -0.459 0.000 1.046 249 Y CB 1.992 40.411 38.460 -0.069 0.000 1.303 249 Y HN 0.539 nan 8.280 nan 0.000 0.460 250 L N 3.174 124.161 121.223 -0.394 0.000 2.614 250 L HA 0.556 4.895 4.340 -0.000 0.000 0.264 250 L C -1.189 175.579 176.870 -0.170 0.000 0.940 250 L CA -0.884 53.679 54.840 -0.461 0.000 0.903 250 L CB 2.502 44.283 42.059 -0.464 0.000 1.306 250 L HN 0.831 nan 8.230 nan 0.000 0.410 251 R N 1.836 122.237 120.500 -0.166 0.000 2.720 251 R HA 0.898 5.238 4.340 -0.000 0.000 0.272 251 R C -0.647 175.603 176.300 -0.084 0.000 0.991 251 R CA -1.086 54.986 56.100 -0.047 0.000 1.010 251 R CB 1.821 32.098 30.300 -0.038 0.000 1.141 251 R HN 0.428 nan 8.270 nan 0.000 0.494 252 R N 0.998 121.477 120.500 -0.036 0.000 2.810 252 R HA 0.130 4.470 4.340 -0.000 0.000 0.280 252 R C -1.602 174.706 176.300 0.014 0.000 1.517 252 R CA -0.249 55.828 56.100 -0.039 0.000 1.063 252 R CB 1.015 31.264 30.300 -0.085 0.000 1.275 252 R HN 0.936 nan 8.270 nan 0.000 0.464 253 E N 3.526 123.754 120.200 0.046 0.000 2.288 253 E HA 0.437 4.787 4.350 -0.000 0.000 0.268 253 E C -1.404 175.240 176.600 0.074 0.000 0.885 253 E CA -1.100 55.349 56.400 0.082 0.000 0.767 253 E CB 2.593 32.381 29.700 0.147 0.000 1.220 253 E HN 0.540 nan 8.360 nan 0.000 0.427 254 Q N 2.589 122.438 119.800 0.081 0.000 2.386 254 Q HA 0.607 4.947 4.340 -0.000 0.000 0.274 254 Q C -1.251 174.811 176.000 0.105 0.000 1.011 254 Q CA -0.955 54.900 55.803 0.087 0.000 0.867 254 Q CB 2.466 31.252 28.738 0.080 0.000 1.409 254 Q HN 0.643 nan 8.270 nan 0.000 0.395 255 M N 2.738 122.409 119.600 0.120 0.000 2.644 255 M HA 0.747 5.227 4.480 -0.000 0.000 0.273 255 M C -2.092 174.346 176.300 0.229 0.000 1.253 255 M CA -0.723 54.647 55.300 0.116 0.000 0.852 255 M CB 2.525 35.158 32.600 0.054 0.000 1.708 255 M HN 0.934 nan 8.290 nan 0.000 0.471 256 F N 0.186 120.148 119.950 0.020 0.000 2.685 256 F HA 0.724 5.251 4.527 -0.000 0.000 0.315 256 F C -1.556 174.242 175.800 -0.003 0.000 1.126 256 F CA -1.071 56.929 58.000 0.001 0.000 0.950 256 F CB 0.692 39.690 39.000 -0.003 0.000 1.360 256 F HN 0.188 nan 8.300 nan 0.000 0.469 257 V N 3.289 123.401 119.914 0.331 0.000 2.341 257 V HA 0.202 4.322 4.120 -0.000 0.000 0.248 257 V C 1.310 177.492 176.094 0.147 0.000 1.107 257 V CA -0.074 62.298 62.300 0.120 0.000 1.069 257 V CB -0.194 31.664 31.823 0.059 0.000 1.177 257 V HN 0.914 nan 8.190 nan 0.000 0.492 258 R N 3.271 123.725 120.500 -0.077 0.000 2.070 258 R HA -0.050 4.290 4.340 -0.000 0.000 0.232 258 R C 0.606 176.959 176.300 0.088 0.000 1.138 258 R CA 1.770 57.908 56.100 0.064 0.000 0.936 258 R CB -0.070 30.266 30.300 0.060 0.000 0.839 258 R HN 0.798 nan 8.270 nan 0.000 0.429 259 H N -2.573 116.372 119.070 -0.209 0.000 2.931 259 H HA 0.543 5.099 4.556 -0.000 0.000 0.331 259 H C -1.235 173.764 175.328 -0.548 0.000 1.273 259 H CA -0.673 55.118 56.048 -0.429 0.000 1.171 259 H CB 1.377 30.692 29.762 -0.744 0.000 1.898 259 H HN -0.011 nan 8.280 nan 0.000 0.562 260 L N 2.030 122.881 121.223 -0.620 0.000 2.471 260 L HA 0.421 4.761 4.340 -0.000 0.000 0.263 260 L C -1.228 175.285 176.870 -0.596 0.000 0.985 260 L CA -0.159 54.367 54.840 -0.522 0.000 0.868 260 L CB 0.591 42.453 42.059 -0.328 0.000 1.203 260 L HN 0.320 nan 8.230 nan 0.000 0.429 261 F N 0.837 120.528 119.950 -0.433 0.000 2.594 261 F HA 0.438 4.965 4.527 -0.000 0.000 0.335 261 F C 0.474 176.140 175.800 -0.223 0.000 1.058 261 F CA -0.788 56.941 58.000 -0.452 0.000 0.981 261 F CB 2.011 40.457 39.000 -0.923 0.000 1.289 261 F HN 0.383 nan 8.300 nan 0.000 0.490 262 N N 0.545 119.404 118.700 0.264 0.000 2.405 262 N HA 0.354 5.094 4.740 -0.000 0.000 0.299 262 N C -1.057 174.659 175.510 0.343 0.000 1.075 262 N CA -0.786 52.436 53.050 0.287 0.000 0.884 262 N CB 1.064 39.684 38.487 0.221 0.000 1.194 262 N HN 0.360 nan 8.380 nan 0.000 0.491 263 R N 1.007 121.685 120.500 0.297 0.000 2.536 263 R HA 0.487 4.827 4.340 -0.000 0.000 0.279 263 R C -0.410 175.954 176.300 0.105 0.000 1.001 263 R CA -0.507 55.740 56.100 0.245 0.000 1.027 263 R CB 1.301 31.694 30.300 0.156 0.000 1.096 263 R HN 0.528 nan 8.270 nan 0.000 0.502 264 A N 0.144 123.006 122.820 0.071 0.000 2.264 264 A HA 0.726 5.045 4.320 -0.000 0.000 0.304 264 A C 0.141 177.733 177.584 0.013 0.000 1.100 264 A CA 0.181 52.237 52.037 0.033 0.000 0.839 264 A CB 0.800 19.813 19.000 0.021 0.000 1.121 264 A HN 0.815 nan 8.150 nan 0.000 0.496 265 G N -0.253 108.551 108.800 0.006 0.000 2.742 265 G HA2 0.410 4.370 3.960 -0.000 0.000 0.686 265 G HA3 0.410 4.370 3.960 -0.000 0.000 0.686 265 G C -0.177 174.720 174.900 -0.005 0.000 1.220 265 G CA -0.141 44.958 45.100 -0.002 0.000 0.783 265 G HN 2.159 nan 8.290 nan 0.000 0.646 266 T N -1.256 113.295 114.554 -0.005 0.000 2.933 266 T HA 0.389 4.739 4.350 -0.000 0.000 0.306 266 T C 0.763 175.455 174.700 -0.014 0.000 1.045 266 T CA 0.075 62.171 62.100 -0.007 0.000 1.143 266 T CB 1.254 70.120 68.868 -0.003 0.000 1.003 266 T HN 1.481 nan 8.240 nan 0.000 0.540 267 V N 4.830 124.732 119.914 -0.020 0.000 2.488 267 V HA 0.409 4.529 4.120 -0.000 0.000 0.277 267 V C 1.738 177.820 176.094 -0.019 0.000 1.046 267 V CA 0.491 62.775 62.300 -0.027 0.000 0.986 267 V CB 0.730 32.528 31.823 -0.042 0.000 0.989 267 V HN 1.195 nan 8.190 nan 0.000 0.475 268 G N 4.204 112.993 108.800 -0.019 0.000 2.524 268 G HA2 -0.129 3.831 3.960 -0.000 0.000 0.215 268 G HA3 -0.129 3.831 3.960 -0.000 0.000 0.215 268 G C 0.507 175.399 174.900 -0.013 0.000 1.239 268 G CA 0.090 45.180 45.100 -0.015 0.000 0.798 268 G HN 0.723 nan 8.290 nan 0.000 0.557 269 E N 1.850 122.040 120.200 -0.016 0.000 1.858 269 E HA 0.328 4.678 4.350 -0.000 0.000 0.267 269 E C 0.509 177.104 176.600 -0.007 0.000 1.215 269 E CA -0.199 56.195 56.400 -0.011 0.000 0.952 269 E CB 0.203 29.895 29.700 -0.013 0.000 1.058 269 E HN 0.427 nan 8.360 nan 0.000 0.407 270 T N -1.168 113.387 114.554 0.002 0.000 2.855 270 T HA 0.051 4.401 4.350 -0.000 0.000 0.322 270 T C 0.635 175.352 174.700 0.028 0.000 1.088 270 T CA -0.879 61.228 62.100 0.011 0.000 1.104 270 T CB 0.718 69.601 68.868 0.024 0.000 0.996 270 T HN 0.041 nan 8.240 nan 0.000 0.549 271 V N 4.218 124.157 119.914 0.041 0.000 2.614 271 V HA 0.286 4.406 4.120 -0.000 0.000 0.291 271 V C -1.780 174.409 176.094 0.159 0.000 1.049 271 V CA -1.495 60.852 62.300 0.078 0.000 1.038 271 V CB 0.526 32.367 31.823 0.031 0.000 0.980 271 V HN 0.869 nan 8.190 nan 0.000 0.481 272 P HA 0.228 nan 4.420 nan 0.000 0.276 272 P C 0.433 177.821 177.300 0.146 0.000 1.253 272 P CA -0.180 62.983 63.100 0.105 0.000 0.766 272 P CB 0.972 32.710 31.700 0.064 0.000 0.845 273 A N 3.822 126.662 122.820 0.033 0.000 2.076 273 A HA -0.170 4.150 4.320 -0.000 0.000 0.220 273 A C 1.375 178.772 177.584 -0.313 0.000 1.160 273 A CA 1.532 53.405 52.037 -0.272 0.000 0.653 273 A CB -0.736 18.129 19.000 -0.225 0.000 0.801 273 A HN 0.628 nan 8.150 nan 0.000 0.455 274 D N -0.846 119.486 120.400 -0.114 0.000 2.336 274 D HA 0.090 4.730 4.640 -0.000 0.000 0.228 274 D C 1.098 177.377 176.300 -0.035 0.000 1.120 274 D CA 0.020 53.964 54.000 -0.093 0.000 0.839 274 D CB -0.027 40.743 40.800 -0.050 0.000 0.932 274 D HN 0.480 nan 8.370 nan 0.000 0.509 275 L N -0.464 120.775 121.223 0.027 0.000 2.638 275 L HA 0.163 4.502 4.340 -0.000 0.000 0.232 275 L C -0.142 176.854 176.870 0.211 0.000 1.099 275 L CA -0.117 54.799 54.840 0.126 0.000 0.883 275 L CB 0.195 42.368 42.059 0.191 0.000 1.136 275 L HN 0.100 nan 8.230 nan 0.000 0.492 276 Y N -3.174 117.123 120.300 -0.004 0.000 2.644 276 Y HA 0.597 5.147 4.550 -0.000 0.000 0.338 276 Y C -0.745 175.149 175.900 -0.010 0.000 1.119 276 Y CA -1.617 56.478 58.100 -0.007 0.000 1.060 276 Y CB 0.784 39.238 38.460 -0.009 0.000 1.294 276 Y HN -0.247 nan 8.280 nan 0.000 0.472 277 I N 3.328 123.966 120.570 0.115 0.000 2.301 277 I HA 0.186 4.356 4.170 -0.000 0.000 0.292 277 I C -0.252 175.896 176.117 0.051 0.000 1.046 277 I CA -0.890 60.406 61.300 -0.008 0.000 1.282 277 I CB 0.757 38.766 38.000 0.015 0.000 1.409 277 I HN 0.444 nan 8.210 nan 0.000 0.484 278 K N 5.430 125.762 120.400 -0.114 0.000 2.255 278 K HA -0.126 4.194 4.320 -0.000 0.000 0.245 278 K C 0.345 176.987 176.600 0.071 0.000 1.352 278 K CA 0.032 56.324 56.287 0.007 0.000 1.315 278 K CB -0.683 31.788 32.500 -0.048 0.000 0.732 278 K HN 0.817 nan 8.250 nan 0.000 0.526 279 G N 2.488 111.363 108.800 0.126 0.000 2.355 279 G HA2 0.098 4.058 3.960 -0.000 0.000 0.276 279 G HA3 0.098 4.058 3.960 -0.000 0.000 0.276 279 G C 0.104 175.023 174.900 0.033 0.000 1.198 279 G CA -0.389 44.742 45.100 0.052 0.000 0.876 279 G HN 0.473 nan 8.290 nan 0.000 0.478 280 T N 1.684 116.253 114.554 0.026 0.000 2.946 280 T HA 0.307 4.657 4.350 -0.000 0.000 0.312 280 T C 0.661 175.382 174.700 0.036 0.000 1.066 280 T CA 1.229 63.347 62.100 0.031 0.000 1.138 280 T CB -0.265 68.621 68.868 0.030 0.000 1.014 280 T HN 1.234 nan 8.240 nan 0.000 0.544 281 T N 1.858 116.446 114.554 0.055 0.000 1.969 281 T HA 0.273 4.623 4.350 -0.000 0.000 0.592 281 T C -0.031 174.729 174.700 0.099 0.000 0.903 281 T CA 0.433 62.590 62.100 0.096 0.000 3.149 281 T CB -1.765 67.184 68.868 0.134 0.000 1.870 281 T HN 1.768 nan 8.240 nan 0.000 0.458 282 G N 1.415 110.280 108.800 0.107 0.000 2.318 282 G HA2 0.426 4.386 3.960 -0.000 0.000 0.302 282 G HA3 0.426 4.386 3.960 -0.000 0.000 0.302 282 G C -0.259 174.682 174.900 0.069 0.000 1.633 282 G CA -0.040 45.118 45.100 0.096 0.000 0.965 282 G HN 0.793 nan 8.290 nan 0.000 0.698 283 T N 1.437 116.038 114.554 0.078 0.000 3.266 283 T HA 0.462 4.812 4.350 -0.000 0.000 0.278 283 T C 0.215 174.927 174.700 0.020 0.000 1.010 283 T CA 0.165 62.298 62.100 0.054 0.000 0.909 283 T CB -0.094 68.809 68.868 0.059 0.000 1.122 283 T HN 1.847 nan 8.240 nan 0.000 0.536 284 L N 2.821 124.028 121.223 -0.026 0.000 2.768 284 L HA -0.082 4.258 4.340 -0.000 0.000 0.566 284 L C -1.996 174.827 176.870 -0.079 0.000 1.001 284 L CA -0.597 54.179 54.840 -0.106 0.000 1.287 284 L CB -0.720 41.251 42.059 -0.147 0.000 1.674 284 L HN 0.175 nan 8.230 nan 0.000 0.827 285 P HA 0.114 nan 4.420 nan 0.000 0.269 285 P C -0.163 177.093 177.300 -0.074 0.000 1.211 285 P CA 0.160 63.243 63.100 -0.027 0.000 0.781 285 P CB 0.510 32.211 31.700 0.002 0.000 0.877 286 S N 0.219 115.888 115.700 -0.051 0.000 2.560 286 S HA 0.119 4.589 4.470 -0.000 0.000 0.284 286 S C 0.567 174.986 174.600 -0.302 0.000 1.327 286 S CA 0.406 58.534 58.200 -0.119 0.000 1.055 286 S CB -0.460 62.702 63.200 -0.063 0.000 0.868 286 S HN 0.514 nan 8.310 nan 0.000 0.506 287 T N 1.794 116.095 114.554 -0.422 0.000 3.087 287 T HA 0.163 4.513 4.350 -0.000 0.000 0.283 287 T C 0.193 174.431 174.700 -0.770 0.000 0.956 287 T CA 0.074 61.717 62.100 -0.762 0.000 0.894 287 T CB -0.012 68.660 68.868 -0.326 0.000 1.160 287 T HN 0.779 nan 8.240 nan 0.000 0.532 288 S N 2.091 117.531 115.700 -0.434 0.000 2.681 288 S HA 0.475 4.945 4.470 -0.000 0.000 0.313 288 S C -0.589 173.995 174.600 -0.026 0.000 1.137 288 S CA -0.742 57.361 58.200 -0.162 0.000 1.045 288 S CB -0.678 62.490 63.200 -0.053 0.000 1.208 288 S HN 0.352 nan 8.310 nan 0.000 0.523 289 Y N 2.815 123.213 120.300 0.163 0.000 2.387 289 Y HA 0.683 5.233 4.550 -0.000 0.000 0.330 289 Y C 0.029 176.110 175.900 0.301 0.000 1.133 289 Y CA -1.376 56.835 58.100 0.184 0.000 1.152 289 Y CB 1.168 39.668 38.460 0.067 0.000 1.215 289 Y HN 0.747 nan 8.280 nan 0.000 0.466 290 F N 1.247 121.376 119.950 0.298 0.000 2.654 290 F HA 0.825 5.352 4.527 -0.000 0.000 0.308 290 F C -3.480 172.420 175.800 0.166 0.000 1.108 290 F CA -2.799 55.326 58.000 0.210 0.000 0.957 290 F CB 1.536 40.699 39.000 0.271 0.000 1.309 290 F HN 0.111 nan 8.300 nan 0.000 0.446 291 P HA 0.401 nan 4.420 nan 0.000 0.288 291 P C -1.228 176.116 177.300 0.074 0.000 1.297 291 P CA -0.456 62.626 63.100 -0.031 0.000 0.864 291 P CB 2.211 33.872 31.700 -0.066 0.000 1.237 292 T N 2.650 117.210 114.554 0.010 0.000 2.756 292 T HA 0.395 4.745 4.350 -0.000 0.000 0.290 292 T C -2.059 172.628 174.700 -0.022 0.000 0.985 292 T CA -1.277 60.895 62.100 0.119 0.000 0.955 292 T CB 0.907 69.875 68.868 0.167 0.000 0.930 292 T HN 0.379 nan 8.240 nan 0.000 0.451 293 P HA 0.480 nan 4.420 nan 0.000 0.302 293 P C -0.665 176.500 177.300 -0.226 0.000 1.307 293 P CA -0.591 62.428 63.100 -0.136 0.000 0.754 293 P CB 0.934 32.590 31.700 -0.074 0.000 1.298 294 S N -2.670 112.797 115.700 -0.389 0.000 2.583 294 S HA 0.450 4.920 4.470 -0.000 0.000 0.294 294 S C 0.311 174.697 174.600 -0.357 0.000 1.121 294 S CA -0.240 57.671 58.200 -0.482 0.000 0.910 294 S CB -0.019 62.530 63.200 -1.085 0.000 1.102 294 S HN 0.571 nan 8.310 nan 0.000 0.451 295 G N 1.788 110.532 108.800 -0.093 0.000 3.141 295 G HA2 0.376 4.336 3.960 -0.000 0.000 0.218 295 G HA3 0.376 4.336 3.960 -0.000 0.000 0.218 295 G C 0.874 175.828 174.900 0.090 0.000 1.170 295 G CA 0.909 46.030 45.100 0.034 0.000 0.769 295 G HN 1.591 nan 8.290 nan 0.000 0.546 296 S N -0.964 114.790 115.700 0.090 0.000 4.157 296 S HA -0.329 4.140 4.470 -0.000 0.000 0.542 296 S C 0.491 175.189 174.600 0.165 0.000 1.864 296 S CA 1.677 60.045 58.200 0.280 0.000 4.245 296 S CB -1.204 62.238 63.200 0.403 0.000 0.266 296 S HN 0.807 nan 8.310 nan 0.000 0.457 297 M N 2.070 121.749 119.600 0.132 0.000 2.464 297 M HA 0.639 5.119 4.480 -0.000 0.000 0.308 297 M C -1.121 175.213 176.300 0.057 0.000 1.127 297 M CA -0.569 54.780 55.300 0.082 0.000 0.913 297 M CB 1.938 34.580 32.600 0.070 0.000 1.689 297 M HN 0.677 nan 8.290 nan 0.000 0.445 298 V N 1.138 121.078 119.914 0.043 0.000 2.547 298 V HA 0.983 5.103 4.120 -0.000 0.000 0.299 298 V C -0.461 175.645 176.094 0.021 0.000 1.040 298 V CA -0.335 61.983 62.300 0.030 0.000 0.913 298 V CB 1.149 32.991 31.823 0.031 0.000 0.992 298 V HN 0.945 nan 8.190 nan 0.000 0.449 299 T N -0.668 113.892 114.554 0.010 0.000 2.982 299 T HA 0.357 4.707 4.350 -0.000 0.000 0.321 299 T C 0.624 175.322 174.700 -0.004 0.000 1.229 299 T CA 0.120 62.223 62.100 0.004 0.000 1.044 299 T CB 1.488 70.358 68.868 0.003 0.000 1.184 299 T HN 0.610 nan 8.240 nan 0.000 0.477 300 S N 1.501 117.199 115.700 -0.004 0.000 2.441 300 S HA -0.141 4.329 4.470 -0.000 0.000 0.242 300 S C 0.998 175.589 174.600 -0.014 0.000 1.018 300 S CA 2.096 60.292 58.200 -0.008 0.000 0.988 300 S CB -0.456 62.741 63.200 -0.005 0.000 0.778 300 S HN 0.887 nan 8.310 nan 0.000 0.498 301 D N 0.891 121.283 120.400 -0.014 0.000 2.346 301 D HA 0.287 4.927 4.640 -0.000 0.000 0.206 301 D C 1.873 178.158 176.300 -0.026 0.000 1.001 301 D CA 0.642 54.632 54.000 -0.017 0.000 0.871 301 D CB -0.076 40.717 40.800 -0.013 0.000 0.943 301 D HN 0.400 nan 8.370 nan 0.000 0.518 302 A N 0.338 123.140 122.820 -0.029 0.000 2.021 302 A HA -0.050 4.270 4.320 -0.000 0.000 0.216 302 A C 1.218 178.757 177.584 -0.074 0.000 1.163 302 A CA 0.253 52.264 52.037 -0.043 0.000 0.676 302 A CB -0.108 18.873 19.000 -0.032 0.000 0.818 302 A HN 0.020 nan 8.150 nan 0.000 0.453 303 Q N -0.378 119.378 119.800 -0.073 0.000 2.568 303 Q HA -0.086 4.254 4.340 -0.000 0.000 0.367 303 Q C 0.699 176.615 176.000 -0.139 0.000 1.138 303 Q CA 0.789 56.528 55.803 -0.108 0.000 1.109 303 Q CB 0.607 29.314 28.738 -0.053 0.000 1.138 303 Q HN 0.685 nan 8.270 nan 0.000 0.419 304 I N 1.315 121.705 120.570 -0.300 0.000 3.883 304 I HA 0.065 4.235 4.170 -0.000 0.000 0.305 304 I C 0.175 176.190 176.117 -0.170 0.000 1.247 304 I CA 0.115 61.224 61.300 -0.319 0.000 1.350 304 I CB 0.462 38.121 38.000 -0.569 0.000 1.194 304 I HN 0.413 nan 8.210 nan 0.000 0.441 305 F N 1.353 121.353 119.950 0.083 0.000 2.282 305 F HA 0.263 4.790 4.527 -0.000 0.000 0.289 305 F C 1.372 177.117 175.800 -0.090 0.000 0.959 305 F CA -0.361 57.657 58.000 0.031 0.000 1.129 305 F CB -0.300 38.694 39.000 -0.010 0.000 1.864 305 F HN -0.057 nan 8.300 nan 0.000 0.569 306 N N -0.720 118.036 118.700 0.093 0.000 2.653 306 N HA -0.247 4.493 4.740 -0.000 0.000 0.248 306 N C -1.274 174.149 175.510 -0.144 0.000 1.154 306 N CA 1.183 54.194 53.050 -0.065 0.000 0.780 306 N CB -1.206 37.267 38.487 -0.024 0.000 1.155 306 N HN 0.382 nan 8.380 nan 0.000 0.570 307 K N -0.448 119.818 120.400 -0.224 0.000 2.350 307 K HA 0.570 4.890 4.320 -0.000 0.000 0.241 307 K C -2.716 173.552 176.600 -0.552 0.000 0.994 307 K CA -1.939 54.192 56.287 -0.259 0.000 0.839 307 K CB 1.675 34.109 32.500 -0.110 0.000 1.244 307 K HN -0.175 nan 8.250 nan 0.000 0.443 308 P HA 0.112 nan 4.420 nan 0.000 0.286 308 P C -1.371 175.445 177.300 -0.806 0.000 1.269 308 P CA -0.098 62.507 63.100 -0.825 0.000 0.787 308 P CB 0.298 31.485 31.700 -0.854 0.000 0.920 309 Y N 1.253 121.127 120.300 -0.710 0.000 2.341 309 Y HA 0.346 4.896 4.550 -0.000 0.000 0.337 309 Y C 0.040 175.506 175.900 -0.723 0.000 1.014 309 Y CA -0.932 56.825 58.100 -0.573 0.000 1.111 309 Y CB 1.603 39.763 38.460 -0.499 0.000 1.194 309 Y HN 0.348 nan 8.280 nan 0.000 0.462 310 W N 5.549 126.810 121.300 -0.065 0.000 2.299 310 W HA 0.437 5.097 4.660 -0.000 0.000 0.319 310 W C -0.625 175.794 176.519 -0.166 0.000 1.008 310 W CA -0.962 56.326 57.345 -0.095 0.000 1.384 310 W CB 1.060 30.506 29.460 -0.023 0.000 1.220 310 W HN 0.410 nan 8.180 nan 0.000 0.402 311 L N 2.372 123.579 121.223 -0.028 0.000 2.480 311 L HA 0.226 4.566 4.340 -0.000 0.000 0.243 311 L C 1.647 178.534 176.870 0.027 0.000 1.315 311 L CA -0.343 54.448 54.840 -0.082 0.000 1.231 311 L CB -0.146 41.812 42.059 -0.169 0.000 1.444 311 L HN 0.583 nan 8.230 nan 0.000 0.409 312 Q N 0.831 120.686 119.800 0.091 0.000 2.084 312 Q HA -0.074 4.266 4.340 -0.000 0.000 0.202 312 Q C 0.081 176.113 176.000 0.053 0.000 0.978 312 Q CA 1.030 56.877 55.803 0.072 0.000 0.844 312 Q CB -0.097 28.682 28.738 0.067 0.000 0.898 312 Q HN 0.599 nan 8.270 nan 0.000 0.426 313 R N -0.015 120.529 120.500 0.072 0.000 2.538 313 R HA 0.591 4.931 4.340 -0.000 0.000 0.292 313 R C -1.193 175.169 176.300 0.103 0.000 1.008 313 R CA 0.187 56.327 56.100 0.067 0.000 0.896 313 R CB 1.980 32.318 30.300 0.063 0.000 1.187 313 R HN 0.356 nan 8.270 nan 0.000 0.440 314 A N 1.694 124.573 122.820 0.099 0.000 2.366 314 A HA 0.108 4.428 4.320 -0.000 0.000 0.250 314 A C 0.902 178.601 177.584 0.192 0.000 1.099 314 A CA 0.035 52.177 52.037 0.174 0.000 0.794 314 A CB 0.373 19.477 19.000 0.173 0.000 1.056 314 A HN 0.884 nan 8.150 nan 0.000 0.499 315 Q N 0.407 120.366 119.800 0.264 0.000 2.049 315 Q HA 0.228 4.568 4.340 -0.000 0.000 0.198 315 Q C 1.010 177.088 176.000 0.131 0.000 0.971 315 Q CA 1.291 57.219 55.803 0.208 0.000 0.833 315 Q CB -0.731 28.164 28.738 0.262 0.000 0.896 315 Q HN 0.779 nan 8.270 nan 0.000 0.434 316 G N -0.982 107.917 108.800 0.166 0.000 2.532 316 G HA2 0.247 4.207 3.960 -0.000 0.000 0.291 316 G HA3 0.247 4.207 3.960 -0.000 0.000 0.291 316 G C -0.457 174.477 174.900 0.056 0.000 1.349 316 G CA -0.227 44.935 45.100 0.104 0.000 1.038 316 G HN 0.389 nan 8.290 nan 0.000 0.518 317 H N -0.941 118.268 119.070 0.232 0.000 2.457 317 H HA -0.000 4.556 4.556 -0.000 0.000 0.294 317 H C 1.192 176.697 175.328 0.296 0.000 1.064 317 H CA 0.764 56.965 56.048 0.255 0.000 1.330 317 H CB 0.194 30.136 29.762 0.301 0.000 1.395 317 H HN 0.221 nan 8.280 nan 0.000 0.541 318 N N 1.767 120.753 118.700 0.477 0.000 2.405 318 N HA -0.080 4.660 4.740 -0.000 0.000 0.260 318 N C -0.438 175.234 175.510 0.269 0.000 1.152 318 N CA 0.019 53.329 53.050 0.433 0.000 0.948 318 N CB 0.139 38.982 38.487 0.593 0.000 1.111 318 N HN 0.244 nan 8.380 nan 0.000 0.485 319 N N 2.542 121.300 118.700 0.096 0.000 3.210 319 N HA 0.046 4.786 4.740 -0.000 0.000 0.314 319 N C 0.389 175.734 175.510 -0.275 0.000 1.291 319 N CA 0.220 53.243 53.050 -0.045 0.000 1.202 319 N CB -0.745 37.718 38.487 -0.040 0.000 1.475 319 N HN 0.767 nan 8.380 nan 0.000 0.554 320 G N 1.349 109.724 108.800 -0.707 0.000 2.350 320 G HA2 -0.224 3.735 3.960 -0.000 0.000 0.298 320 G HA3 -0.224 3.735 3.960 -0.000 0.000 0.298 320 G C -0.074 174.491 174.900 -0.558 0.000 1.037 320 G CA -0.263 44.044 45.100 -1.322 0.000 1.074 320 G HN 0.374 nan 8.290 nan 0.000 0.511 321 I N 0.305 120.649 120.570 -0.378 0.000 2.307 321 I HA 0.185 4.355 4.170 -0.000 0.000 0.289 321 I C 0.991 176.885 176.117 -0.372 0.000 1.021 321 I CA -0.999 60.012 61.300 -0.481 0.000 1.224 321 I CB 0.957 38.472 38.000 -0.808 0.000 1.376 321 I HN 0.226 nan 8.210 nan 0.000 0.470 322 C N 5.378 124.566 119.300 -0.187 0.000 3.247 322 C HA 0.155 4.615 4.460 -0.000 0.000 0.573 322 C C 0.630 175.669 174.990 0.082 0.000 1.106 322 C CA -1.224 57.814 59.018 0.033 0.000 1.209 322 C CB -2.461 25.348 27.740 0.115 0.000 1.460 322 C HN 0.621 nan 8.230 nan 0.000 0.634 323 W N 1.013 122.411 121.300 0.165 0.000 2.480 323 W HA 0.110 4.770 4.660 -0.000 0.000 0.337 323 W C 1.190 177.736 176.519 0.045 0.000 1.201 323 W CA 0.525 57.917 57.345 0.079 0.000 1.309 323 W CB -0.006 29.481 29.460 0.045 0.000 1.168 323 W HN 0.668 nan 8.180 nan 0.000 0.566 324 S N 2.321 118.167 115.700 0.243 0.000 3.783 324 S HA -0.281 4.189 4.470 -0.000 0.000 0.360 324 S C 0.084 174.747 174.600 0.104 0.000 1.006 324 S CA 0.519 58.782 58.200 0.105 0.000 1.115 324 S CB -1.890 61.360 63.200 0.083 0.000 0.893 324 S HN 0.740 nan 8.310 nan 0.000 0.475 325 N N 0.338 119.108 118.700 0.118 0.000 2.726 325 N HA -0.240 4.500 4.740 -0.000 0.000 0.263 325 N C 0.067 175.580 175.510 0.004 0.000 0.947 325 N CA 1.347 54.437 53.050 0.067 0.000 0.838 325 N CB -0.433 38.075 38.487 0.035 0.000 0.923 325 N HN 0.780 nan 8.380 nan 0.000 0.559 326 Q N -0.438 119.395 119.800 0.055 0.000 2.445 326 Q HA 0.800 5.140 4.340 -0.000 0.000 0.281 326 Q C -0.538 175.490 176.000 0.046 0.000 1.101 326 Q CA -0.695 55.114 55.803 0.010 0.000 0.833 326 Q CB 2.135 30.928 28.738 0.091 0.000 1.416 326 Q HN 0.230 nan 8.270 nan 0.000 0.451 327 L N 1.192 122.355 121.223 -0.100 0.000 2.591 327 L HA 0.459 4.799 4.340 -0.000 0.000 0.257 327 L C -1.802 174.909 176.870 -0.264 0.000 0.935 327 L CA -0.528 54.325 54.840 0.022 0.000 0.873 327 L CB 1.885 43.969 42.059 0.042 0.000 1.397 327 L HN 0.604 nan 8.230 nan 0.000 0.414 328 F N 2.449 122.435 119.950 0.061 0.000 2.577 328 F HA 0.405 4.932 4.527 -0.000 0.000 0.344 328 F C -0.081 175.778 175.800 0.098 0.000 1.145 328 F CA -0.697 57.303 58.000 -0.000 0.000 0.996 328 F CB 1.847 40.755 39.000 -0.154 0.000 1.248 328 F HN -0.098 nan 8.300 nan 0.000 0.447 329 V N 3.282 123.388 119.914 0.319 0.000 2.288 329 V HA 0.300 4.420 4.120 -0.000 0.000 0.266 329 V C 0.039 176.343 176.094 0.350 0.000 1.048 329 V CA -0.442 62.066 62.300 0.347 0.000 0.842 329 V CB 0.588 32.616 31.823 0.342 0.000 1.064 329 V HN 0.751 nan 8.190 nan 0.000 0.472 330 T N 3.673 118.387 114.554 0.266 0.000 2.909 330 T HA 0.723 5.073 4.350 -0.000 0.000 0.286 330 T C -0.313 174.536 174.700 0.249 0.000 1.002 330 T CA -0.561 61.670 62.100 0.218 0.000 1.074 330 T CB 2.131 71.094 68.868 0.160 0.000 0.984 330 T HN 0.308 nan 8.240 nan 0.000 0.495 331 V N 2.363 122.407 119.914 0.216 0.000 2.852 331 V HA 0.427 4.547 4.120 -0.000 0.000 0.300 331 V C -1.084 175.107 176.094 0.162 0.000 1.205 331 V CA -0.764 61.672 62.300 0.228 0.000 0.940 331 V CB 2.349 34.308 31.823 0.228 0.000 1.047 331 V HN 0.779 nan 8.190 nan 0.000 0.429 332 V N 3.597 123.625 119.914 0.189 0.000 2.531 332 V HA 0.682 4.802 4.120 -0.000 0.000 0.301 332 V C -1.210 175.041 176.094 0.261 0.000 1.034 332 V CA -0.402 61.938 62.300 0.067 0.000 0.865 332 V CB 2.062 33.781 31.823 -0.172 0.000 0.995 332 V HN 0.951 nan 8.190 nan 0.000 0.424 333 D N 2.546 123.099 120.400 0.255 0.000 2.602 333 D HA 0.331 4.971 4.640 -0.000 0.000 0.245 333 D C 0.576 177.005 176.300 0.215 0.000 1.325 333 D CA -0.130 54.065 54.000 0.326 0.000 0.952 333 D CB 2.054 43.157 40.800 0.504 0.000 1.317 333 D HN 0.553 nan 8.370 nan 0.000 0.577 334 T N -0.398 114.255 114.554 0.166 0.000 3.163 334 T HA 0.045 4.395 4.350 -0.000 0.000 0.252 334 T C 1.612 176.387 174.700 0.124 0.000 1.056 334 T CA 0.519 62.711 62.100 0.152 0.000 0.947 334 T CB -0.054 68.900 68.868 0.144 0.000 1.016 334 T HN 0.402 nan 8.240 nan 0.000 0.554 335 T N 0.609 115.233 114.554 0.116 0.000 3.023 335 T HA 0.039 4.389 4.350 -0.000 0.000 0.266 335 T C 1.684 176.427 174.700 0.071 0.000 1.093 335 T CA 0.123 62.270 62.100 0.080 0.000 1.129 335 T CB -0.250 68.655 68.868 0.061 0.000 0.899 335 T HN 0.440 nan 8.240 nan 0.000 0.491 336 R N 1.452 122.011 120.500 0.098 0.000 2.509 336 R HA 0.234 4.574 4.340 -0.000 0.000 0.300 336 R C 1.382 177.731 176.300 0.083 0.000 0.985 336 R CA 0.378 56.529 56.100 0.085 0.000 1.092 336 R CB 0.240 30.593 30.300 0.088 0.000 1.237 336 R HN 0.490 nan 8.270 nan 0.000 0.546 337 S N 0.988 116.736 115.700 0.080 0.000 3.170 337 S HA -0.069 4.401 4.470 -0.000 0.000 0.252 337 S C 0.568 174.987 174.600 -0.301 0.000 1.047 337 S CA -0.037 58.175 58.200 0.021 0.000 1.194 337 S CB -1.063 62.205 63.200 0.112 0.000 0.916 337 S HN 0.157 nan 8.310 nan 0.000 0.506 338 T N 1.209 115.533 114.554 -0.384 0.000 2.869 338 T HA 0.299 4.649 4.350 -0.000 0.000 0.295 338 T C -0.240 174.043 174.700 -0.695 0.000 0.987 338 T CA -0.922 60.932 62.100 -0.410 0.000 1.109 338 T CB 0.227 68.976 68.868 -0.200 0.000 0.932 338 T HN 0.518 nan 8.240 nan 0.000 0.518 339 N N 3.667 122.118 118.700 -0.415 0.000 2.589 339 N HA 0.315 5.055 4.740 -0.000 0.000 0.232 339 N C 0.471 175.878 175.510 -0.171 0.000 1.015 339 N CA -0.706 52.166 53.050 -0.298 0.000 0.931 339 N CB 0.760 39.089 38.487 -0.264 0.000 1.150 339 N HN 0.686 nan 8.380 nan 0.000 0.512 340 M N 0.083 119.614 119.600 -0.115 0.000 2.232 340 M HA 0.258 4.738 4.480 -0.000 0.000 0.321 340 M C -0.142 176.124 176.300 -0.056 0.000 1.101 340 M CA -0.043 55.217 55.300 -0.066 0.000 1.181 340 M CB 0.489 33.069 32.600 -0.033 0.000 1.432 340 M HN 0.304 nan 8.290 nan 0.000 0.457 341 S N 1.554 117.239 115.700 -0.026 0.000 2.478 341 S HA 0.651 5.121 4.470 -0.000 0.000 0.312 341 S C -0.323 174.302 174.600 0.042 0.000 1.094 341 S CA -0.938 57.264 58.200 0.004 0.000 1.081 341 S CB 1.405 64.611 63.200 0.009 0.000 1.007 341 S HN 0.813 nan 8.310 nan 0.000 0.475 342 V N 0.707 120.669 119.914 0.081 0.000 2.407 342 V HA 0.693 4.813 4.120 -0.000 0.000 0.278 342 V C 0.233 176.439 176.094 0.186 0.000 1.037 342 V CA -0.973 61.389 62.300 0.104 0.000 0.900 342 V CB 0.152 32.021 31.823 0.076 0.000 0.983 342 V HN 1.126 nan 8.190 nan 0.000 0.459 343 C N 4.947 124.348 119.300 0.167 0.000 2.322 343 C HA 0.823 5.283 4.460 -0.000 0.000 0.324 343 C C 0.231 175.362 174.990 0.235 0.000 1.284 343 C CA 0.230 59.386 59.018 0.229 0.000 1.606 343 C CB 0.556 28.419 27.740 0.206 0.000 2.251 343 C HN 1.213 nan 8.230 nan 0.000 0.502 344 S N 4.046 119.905 115.700 0.266 0.000 2.532 344 S HA 0.792 5.262 4.470 -0.000 0.000 0.299 344 S C -0.064 174.603 174.600 0.111 0.000 1.105 344 S CA -0.070 58.237 58.200 0.179 0.000 1.018 344 S CB 1.377 64.664 63.200 0.145 0.000 1.021 344 S HN 1.441 nan 8.310 nan 0.000 0.483 345 A N 3.311 126.121 122.820 -0.016 0.000 2.287 345 A HA 0.555 4.875 4.320 -0.000 0.000 0.273 345 A C 1.115 178.580 177.584 -0.198 0.000 1.091 345 A CA -0.491 51.361 52.037 -0.309 0.000 0.817 345 A CB 0.215 18.983 19.000 -0.386 0.000 1.069 345 A HN 0.883 nan 8.150 nan 0.000 0.492 346 V N 0.466 120.219 119.914 -0.269 0.000 2.649 346 V HA 0.069 4.189 4.120 -0.000 0.000 0.248 346 V C 0.806 176.811 176.094 -0.148 0.000 1.054 346 V CA 1.816 64.017 62.300 -0.165 0.000 1.073 346 V CB -0.538 31.186 31.823 -0.164 0.000 0.699 346 V HN 1.128 nan 8.190 nan 0.000 0.463 347 S N -0.925 114.655 115.700 -0.199 0.000 2.584 347 S HA 0.196 4.666 4.470 -0.000 0.000 0.282 347 S C -0.015 174.498 174.600 -0.145 0.000 1.138 347 S CA 0.089 58.209 58.200 -0.134 0.000 0.987 347 S CB 1.299 64.439 63.200 -0.099 0.000 1.137 347 S HN 0.342 nan 8.310 nan 0.000 0.457 348 S N 1.574 117.220 115.700 -0.090 0.000 2.768 348 S HA 0.142 4.612 4.470 -0.000 0.000 0.246 348 S C 1.210 175.797 174.600 -0.021 0.000 1.006 348 S CA 0.112 58.283 58.200 -0.049 0.000 1.075 348 S CB -0.820 62.375 63.200 -0.009 0.000 0.786 348 S HN 1.027 nan 8.310 nan 0.000 0.468 349 S N 0.383 116.061 115.700 -0.036 0.000 2.478 349 S HA 0.065 4.535 4.470 -0.000 0.000 0.222 349 S C 0.344 174.940 174.600 -0.008 0.000 1.008 349 S CA -0.241 57.948 58.200 -0.018 0.000 0.928 349 S CB -0.334 62.852 63.200 -0.024 0.000 0.781 349 S HN 0.506 nan 8.310 nan 0.000 0.518 350 D N 2.437 122.828 120.400 -0.015 0.000 2.357 350 D HA 0.273 4.913 4.640 -0.000 0.000 0.242 350 D C 0.699 177.023 176.300 0.040 0.000 1.153 350 D CA 0.360 54.364 54.000 0.006 0.000 0.918 350 D CB 1.242 42.038 40.800 -0.007 0.000 1.181 350 D HN 0.420 nan 8.370 nan 0.000 0.435 351 S N -1.395 114.334 115.700 0.049 0.000 2.603 351 S HA 0.133 4.603 4.470 -0.000 0.000 0.232 351 S C 0.523 175.172 174.600 0.083 0.000 1.016 351 S CA -0.363 57.874 58.200 0.062 0.000 0.976 351 S CB 0.549 63.776 63.200 0.045 0.000 0.921 351 S HN 0.326 nan 8.310 nan 0.000 0.516 352 T N 1.847 116.455 114.554 0.091 0.000 2.863 352 T HA 0.424 4.774 4.350 -0.000 0.000 0.285 352 T C -1.385 173.415 174.700 0.168 0.000 1.009 352 T CA -0.498 61.673 62.100 0.120 0.000 0.989 352 T CB 1.247 70.168 68.868 0.089 0.000 1.004 352 T HN 0.284 nan 8.240 nan 0.000 0.455 353 Y N 3.280 123.637 120.300 0.096 0.000 2.605 353 Y HA 0.264 4.814 4.550 -0.000 0.000 0.336 353 Y C 0.250 176.237 175.900 0.145 0.000 1.111 353 Y CA 0.470 58.647 58.100 0.128 0.000 1.422 353 Y CB 0.032 38.497 38.460 0.008 0.000 1.193 353 Y HN 0.403 nan 8.280 nan 0.000 0.526 354 K N 4.843 125.171 120.400 -0.120 0.000 2.443 354 K HA 0.238 4.558 4.320 -0.000 0.000 0.252 354 K C 0.099 176.641 176.600 -0.096 0.000 0.933 354 K CA -0.775 55.491 56.287 -0.035 0.000 0.792 354 K CB 1.678 34.183 32.500 0.007 0.000 1.185 354 K HN 0.608 nan 8.250 nan 0.000 0.425 355 N N 1.193 119.911 118.700 0.031 0.000 2.244 355 N HA -0.151 4.589 4.740 -0.000 0.000 0.183 355 N C 0.569 176.131 175.510 0.086 0.000 1.016 355 N CA 1.045 54.165 53.050 0.117 0.000 0.866 355 N CB 0.136 38.725 38.487 0.171 0.000 0.980 355 N HN 0.547 nan 8.380 nan 0.000 0.430 356 D N 0.215 120.631 120.400 0.026 0.000 2.221 356 D HA -0.162 4.478 4.640 -0.000 0.000 0.204 356 D C 0.934 177.186 176.300 -0.080 0.000 0.982 356 D CA 0.959 54.950 54.000 -0.016 0.000 0.857 356 D CB -0.298 40.489 40.800 -0.022 0.000 0.934 356 D HN 0.326 nan 8.370 nan 0.000 0.475 357 N N -1.031 117.573 118.700 -0.161 0.000 2.383 357 N HA -0.009 4.731 4.740 -0.000 0.000 0.192 357 N C -1.023 174.015 175.510 -0.786 0.000 1.141 357 N CA 0.050 52.844 53.050 -0.427 0.000 0.851 357 N CB 0.144 38.353 38.487 -0.463 0.000 0.976 357 N HN -0.116 nan 8.380 nan 0.000 0.465 358 F N -0.235 119.654 119.950 -0.102 0.000 2.581 358 F HA 0.428 4.955 4.527 -0.000 0.000 0.311 358 F C -0.326 175.464 175.800 -0.016 0.000 1.113 358 F CA -1.008 56.961 58.000 -0.052 0.000 0.935 358 F CB 1.795 40.758 39.000 -0.062 0.000 1.232 358 F HN -0.350 nan 8.300 nan 0.000 0.445 359 K N 2.713 123.207 120.400 0.157 0.000 2.339 359 K HA 0.364 4.684 4.320 -0.000 0.000 0.264 359 K C -0.732 175.888 176.600 0.032 0.000 0.986 359 K CA -0.850 55.468 56.287 0.051 0.000 0.866 359 K CB 1.575 34.110 32.500 0.058 0.000 1.103 359 K HN 0.433 nan 8.250 nan 0.000 0.441 360 E N 2.420 122.555 120.200 -0.108 0.000 2.216 360 E HA 0.266 4.616 4.350 -0.000 0.000 0.279 360 E C -0.868 175.629 176.600 -0.173 0.000 0.997 360 E CA -0.303 56.097 56.400 -0.001 0.000 0.817 360 E CB 1.035 30.742 29.700 0.013 0.000 1.096 360 E HN 0.339 nan 8.360 nan 0.000 0.393 361 Y N 0.377 120.704 120.300 0.046 0.000 2.576 361 Y HA 0.440 4.990 4.550 -0.000 0.000 0.346 361 Y C 0.081 175.950 175.900 -0.053 0.000 1.018 361 Y CA -0.862 57.255 58.100 0.029 0.000 1.050 361 Y CB 1.334 39.819 38.460 0.041 0.000 1.280 361 Y HN 0.246 nan 8.280 nan 0.000 0.474 362 L N 2.938 124.152 121.223 -0.015 0.000 2.317 362 L HA 0.662 5.002 4.340 -0.000 0.000 0.281 362 L C -0.499 176.207 176.870 -0.274 0.000 1.024 362 L CA -0.901 53.788 54.840 -0.251 0.000 0.810 362 L CB 1.204 42.912 42.059 -0.586 0.000 1.240 362 L HN 0.483 nan 8.230 nan 0.000 0.427 363 R N 1.990 122.387 120.500 -0.172 0.000 2.515 363 R HA 0.339 4.679 4.340 -0.000 0.000 0.291 363 R C -1.306 174.977 176.300 -0.028 0.000 1.046 363 R CA -0.681 55.353 56.100 -0.109 0.000 0.914 363 R CB 1.820 32.098 30.300 -0.037 0.000 1.191 363 R HN 0.677 nan 8.270 nan 0.000 0.435 364 H N 0.182 119.172 119.070 -0.133 0.000 2.492 364 H HA 0.683 5.239 4.556 -0.000 0.000 0.345 364 H C -0.550 174.773 175.328 -0.008 0.000 1.136 364 H CA -0.803 55.201 56.048 -0.073 0.000 1.202 364 H CB 1.939 31.648 29.762 -0.088 0.000 1.524 364 H HN 0.741 nan 8.280 nan 0.000 0.506 365 G N 3.790 112.769 108.800 0.299 0.000 2.753 365 G HA2 0.170 4.129 3.960 -0.000 0.000 0.282 365 G HA3 0.170 4.129 3.960 -0.000 0.000 0.282 365 G C -1.026 173.943 174.900 0.114 0.000 1.512 365 G CA -0.529 44.642 45.100 0.117 0.000 1.076 365 G HN 0.552 nan 8.290 nan 0.000 0.545 366 E N 0.552 120.788 120.200 0.061 0.000 2.369 366 E HA 0.521 4.871 4.350 -0.000 0.000 0.255 366 E C -0.021 176.717 176.600 0.230 0.000 1.172 366 E CA -0.161 56.337 56.400 0.164 0.000 0.932 366 E CB 1.030 30.899 29.700 0.280 0.000 1.040 366 E HN 0.583 nan 8.360 nan 0.000 0.454 367 E N 1.280 121.612 120.200 0.220 0.000 2.499 367 E HA 0.144 4.494 4.350 -0.000 0.000 0.327 367 E C -1.573 175.061 176.600 0.057 0.000 0.929 367 E CA -0.248 56.247 56.400 0.160 0.000 0.788 367 E CB 0.180 29.915 29.700 0.058 0.000 1.452 367 E HN 0.369 nan 8.360 nan 0.000 0.387 368 Y N 1.306 121.560 120.300 -0.077 0.000 2.654 368 Y HA 0.575 5.125 4.550 -0.000 0.000 0.327 368 Y C 0.052 175.822 175.900 -0.216 0.000 1.122 368 Y CA -0.795 57.190 58.100 -0.192 0.000 1.227 368 Y CB 1.434 39.715 38.460 -0.298 0.000 1.370 368 Y HN 0.368 nan 8.280 nan 0.000 0.528 369 D N 1.063 121.424 120.400 -0.065 0.000 2.591 369 D HA 0.235 4.875 4.640 -0.000 0.000 0.222 369 D C -2.027 174.109 176.300 -0.273 0.000 1.360 369 D CA -0.175 53.736 54.000 -0.148 0.000 0.967 369 D CB 0.991 41.727 40.800 -0.106 0.000 1.456 369 D HN 0.514 nan 8.370 nan 0.000 0.588 370 L N 3.394 124.426 121.223 -0.319 0.000 2.276 370 L HA 0.399 4.739 4.340 -0.000 0.000 0.286 370 L C 0.108 176.705 176.870 -0.455 0.000 1.024 370 L CA -0.406 54.160 54.840 -0.458 0.000 0.826 370 L CB 1.691 43.526 42.059 -0.373 0.000 1.211 370 L HN 0.246 nan 8.230 nan 0.000 0.422 371 Q N 3.182 122.534 119.800 -0.746 0.000 2.337 371 Q HA 0.666 5.006 4.340 -0.000 0.000 0.266 371 Q C -1.455 173.946 176.000 -0.997 0.000 1.023 371 Q CA -0.557 54.885 55.803 -0.601 0.000 0.829 371 Q CB 2.694 31.207 28.738 -0.375 0.000 1.306 371 Q HN 0.350 nan 8.270 nan 0.000 0.449 372 F N 0.850 120.388 119.950 -0.686 0.000 2.675 372 F HA 0.655 5.182 4.527 -0.000 0.000 0.324 372 F C -0.475 174.733 175.800 -0.985 0.000 1.106 372 F CA -0.927 56.565 58.000 -0.847 0.000 0.970 372 F CB 1.378 39.738 39.000 -1.066 0.000 1.385 372 F HN 0.287 nan 8.300 nan 0.000 0.489 373 I N 1.365 121.449 120.570 -0.811 0.000 2.571 373 I HA 0.341 4.511 4.170 -0.000 0.000 0.286 373 I C -1.625 174.052 176.117 -0.734 0.000 1.134 373 I CA -0.170 60.734 61.300 -0.660 0.000 1.052 373 I CB 1.677 39.435 38.000 -0.405 0.000 1.237 373 I HN 0.341 nan 8.210 nan 0.000 0.435 374 F N 4.076 123.844 119.950 -0.305 0.000 2.538 374 F HA 0.555 5.082 4.527 -0.000 0.000 0.325 374 F C 0.157 175.946 175.800 -0.018 0.000 1.066 374 F CA -0.622 57.268 58.000 -0.183 0.000 0.946 374 F CB 1.606 40.374 39.000 -0.388 0.000 1.199 374 F HN 0.312 nan 8.300 nan 0.000 0.473 375 Q N 2.434 122.415 119.800 0.302 0.000 2.331 375 Q HA 0.433 4.773 4.340 -0.000 0.000 0.267 375 Q C -1.153 174.964 176.000 0.194 0.000 1.006 375 Q CA -1.188 54.639 55.803 0.039 0.000 0.818 375 Q CB 2.065 30.692 28.738 -0.184 0.000 1.276 375 Q HN 0.716 nan 8.270 nan 0.000 0.450 376 L N 3.040 124.293 121.223 0.049 0.000 2.483 376 L HA 0.154 4.494 4.340 -0.000 0.000 0.276 376 L C -1.295 175.382 176.870 -0.321 0.000 1.213 376 L CA 0.699 55.339 54.840 -0.333 0.000 0.843 376 L CB 0.752 42.487 42.059 -0.540 0.000 1.107 376 L HN 0.799 nan 8.230 nan 0.000 0.487 377 C N 4.625 123.675 119.300 -0.417 0.000 2.716 377 C HA 0.449 4.909 4.460 -0.000 0.000 0.366 377 C C -0.609 174.216 174.990 -0.275 0.000 1.073 377 C CA -1.264 57.592 59.018 -0.269 0.000 1.260 377 C CB 1.454 29.083 27.740 -0.185 0.000 1.755 377 C HN 0.899 nan 8.230 nan 0.000 0.475 378 K N 3.314 123.583 120.400 -0.218 0.000 2.118 378 K HA 0.914 5.234 4.320 -0.000 0.000 0.254 378 K C -1.231 175.337 176.600 -0.052 0.000 0.961 378 K CA -0.459 55.707 56.287 -0.201 0.000 0.876 378 K CB 1.480 33.845 32.500 -0.225 0.000 1.077 378 K HN 0.656 nan 8.250 nan 0.000 0.440 379 I N 1.479 122.034 120.570 -0.025 0.000 2.582 379 I HA 0.163 4.333 4.170 -0.000 0.000 0.292 379 I C -0.830 175.324 176.117 0.063 0.000 1.066 379 I CA -0.946 60.409 61.300 0.092 0.000 1.053 379 I CB 2.656 40.785 38.000 0.216 0.000 1.241 379 I HN 0.659 nan 8.210 nan 0.000 0.421 380 T N 6.833 121.450 114.554 0.106 0.000 2.781 380 T HA 0.432 4.782 4.350 -0.000 0.000 0.305 380 T C 0.015 174.767 174.700 0.087 0.000 1.001 380 T CA -0.434 61.715 62.100 0.082 0.000 0.950 380 T CB 0.166 69.082 68.868 0.081 0.000 0.955 380 T HN 0.249 nan 8.240 nan 0.000 0.471 381 L N 5.254 126.516 121.223 0.066 0.000 2.536 381 L HA 0.217 4.557 4.340 -0.000 0.000 0.282 381 L C 1.455 178.362 176.870 0.062 0.000 1.174 381 L CA -0.359 54.530 54.840 0.083 0.000 0.989 381 L CB -0.859 41.252 42.059 0.086 0.000 1.311 381 L HN 0.654 nan 8.230 nan 0.000 0.455 382 T N -1.067 113.524 114.554 0.063 0.000 2.897 382 T HA 0.594 4.944 4.350 -0.000 0.000 0.278 382 T C 1.395 176.120 174.700 0.042 0.000 0.981 382 T CA -0.272 61.856 62.100 0.047 0.000 0.973 382 T CB 1.708 70.603 68.868 0.045 0.000 1.092 382 T HN 0.387 nan 8.240 nan 0.000 0.543 383 A N 1.102 123.941 122.820 0.031 0.000 1.881 383 A HA -0.220 4.100 4.320 -0.000 0.000 0.219 383 A C 2.043 179.644 177.584 0.027 0.000 1.215 383 A CA 2.304 54.356 52.037 0.025 0.000 0.648 383 A CB -1.375 17.636 19.000 0.018 0.000 0.832 383 A HN 0.976 nan 8.150 nan 0.000 0.455 384 D N -0.421 119.995 120.400 0.027 0.000 2.095 384 D HA -0.132 4.508 4.640 -0.000 0.000 0.192 384 D C 2.155 178.476 176.300 0.034 0.000 0.990 384 D CA 2.031 56.047 54.000 0.027 0.000 0.836 384 D CB -0.667 40.143 40.800 0.016 0.000 0.979 384 D HN 0.212 nan 8.370 nan 0.000 0.447 385 V N 1.335 121.260 119.914 0.018 0.000 2.363 385 V HA -0.295 3.825 4.120 -0.000 0.000 0.254 385 V C 2.502 178.616 176.094 0.032 0.000 1.074 385 V CA 1.618 63.913 62.300 -0.008 0.000 1.069 385 V CB -0.479 31.361 31.823 0.029 0.000 0.659 385 V HN 0.241 nan 8.190 nan 0.000 0.455 386 M N -0.732 118.902 119.600 0.056 0.000 2.248 386 M HA -0.100 4.380 4.480 -0.000 0.000 0.265 386 M C 2.339 178.682 176.300 0.071 0.000 1.079 386 M CA 1.757 57.101 55.300 0.072 0.000 1.150 386 M CB -0.469 32.179 32.600 0.080 0.000 1.366 386 M HN 0.454 nan 8.290 nan 0.000 0.433 387 T N -0.020 114.566 114.554 0.055 0.000 2.635 387 T HA -0.253 4.097 4.350 -0.000 0.000 0.267 387 T C 1.535 176.274 174.700 0.066 0.000 1.040 387 T CA 1.758 63.884 62.100 0.045 0.000 1.156 387 T CB -0.773 68.113 68.868 0.031 0.000 0.863 387 T HN 0.365 nan 8.240 nan 0.000 0.430 388 Y N 1.963 122.233 120.300 -0.049 0.000 2.081 388 Y HA -0.197 4.353 4.550 -0.000 0.000 0.280 388 Y C 2.165 177.979 175.900 -0.143 0.000 1.163 388 Y CA 1.196 59.246 58.100 -0.083 0.000 1.135 388 Y CB -0.600 37.767 38.460 -0.155 0.000 0.970 388 Y HN 0.172 nan 8.280 nan 0.000 0.498 389 I N -0.556 119.939 120.570 -0.126 0.000 2.423 389 I HA -0.364 3.806 4.170 -0.000 0.000 0.254 389 I C 2.496 178.412 176.117 -0.334 0.000 1.151 389 I CA 1.688 62.804 61.300 -0.307 0.000 1.421 389 I CB -0.667 37.204 38.000 -0.215 0.000 1.079 389 I HN 0.432 nan 8.210 nan 0.000 0.431 390 H N 0.804 119.732 119.070 -0.237 0.000 2.363 390 H HA -0.044 4.512 4.556 -0.000 0.000 0.301 390 H C 2.293 177.493 175.328 -0.212 0.000 1.074 390 H CA 1.628 57.560 56.048 -0.194 0.000 1.354 390 H CB 0.346 30.042 29.762 -0.109 0.000 1.397 390 H HN 0.184 nan 8.280 nan 0.000 0.516 391 S N 0.661 116.322 115.700 -0.064 0.000 2.406 391 S HA -0.075 4.395 4.470 -0.000 0.000 0.228 391 S C 2.216 176.705 174.600 -0.184 0.000 1.020 391 S CA 0.973 59.137 58.200 -0.059 0.000 0.965 391 S CB 0.039 63.214 63.200 -0.042 0.000 0.798 391 S HN 0.461 nan 8.310 nan 0.000 0.488 392 M N 1.400 120.747 119.600 -0.423 0.000 2.100 392 M HA 0.048 4.528 4.480 -0.000 0.000 0.254 392 M C 0.324 176.275 176.300 -0.583 0.000 1.106 392 M CA 1.499 56.334 55.300 -0.775 0.000 1.127 392 M CB -0.007 31.820 32.600 -1.289 0.000 1.263 392 M HN 0.150 nan 8.290 nan 0.000 0.427 393 N N 0.063 118.403 118.700 -0.599 0.000 2.549 393 N HA 0.266 5.006 4.740 -0.000 0.000 0.281 393 N C -2.353 172.862 175.510 -0.491 0.000 1.084 393 N CA -1.641 51.118 53.050 -0.484 0.000 0.862 393 N CB 1.981 40.185 38.487 -0.471 0.000 1.333 393 N HN 0.055 nan 8.380 nan 0.000 0.523 394 P HA -0.175 nan 4.420 nan 0.000 0.216 394 P C 1.021 178.088 177.300 -0.389 0.000 1.154 394 P CA 1.376 64.134 63.100 -0.570 0.000 0.865 394 P CB 0.238 31.608 31.700 -0.549 0.000 0.789 395 S N -0.126 115.383 115.700 -0.318 0.000 2.440 395 S HA -0.138 4.332 4.470 -0.000 0.000 0.240 395 S C 1.991 176.371 174.600 -0.367 0.000 1.014 395 S CA 1.045 59.086 58.200 -0.265 0.000 0.980 395 S CB -1.060 62.021 63.200 -0.198 0.000 0.775 395 S HN 0.174 nan 8.310 nan 0.000 0.499 396 I N 0.544 120.814 120.570 -0.499 0.000 2.353 396 I HA -0.105 4.065 4.170 -0.000 0.000 0.248 396 I C 2.048 177.582 176.117 -0.972 0.000 1.119 396 I CA 0.956 61.776 61.300 -0.800 0.000 1.417 396 I CB -0.152 37.308 38.000 -0.900 0.000 1.078 396 I HN 0.229 nan 8.210 nan 0.000 0.421 397 L N -0.116 120.821 121.223 -0.476 0.000 2.071 397 L HA -0.096 4.244 4.340 -0.000 0.000 0.201 397 L C 2.496 179.346 176.870 -0.035 0.000 1.076 397 L CA 1.093 55.861 54.840 -0.121 0.000 0.755 397 L CB -0.508 41.530 42.059 -0.036 0.000 0.915 397 L HN 0.135 nan 8.230 nan 0.000 0.445 398 E N 0.427 120.570 120.200 -0.094 0.000 2.055 398 E HA -0.306 4.044 4.350 -0.000 0.000 0.209 398 E C 1.599 178.177 176.600 -0.038 0.000 1.036 398 E CA 1.866 58.234 56.400 -0.053 0.000 0.849 398 E CB -0.385 29.262 29.700 -0.088 0.000 0.767 398 E HN 0.491 nan 8.360 nan 0.000 0.461 399 D N -0.309 120.020 120.400 -0.117 0.000 2.315 399 D HA -0.170 4.469 4.640 -0.000 0.000 0.211 399 D C 0.701 177.043 176.300 0.071 0.000 0.977 399 D CA 0.717 54.672 54.000 -0.075 0.000 0.894 399 D CB -0.196 40.518 40.800 -0.144 0.000 0.910 399 D HN 0.340 nan 8.370 nan 0.000 0.490 400 W N 2.345 123.654 121.300 0.015 0.000 3.221 400 W HA 0.161 4.821 4.660 -0.000 0.000 0.436 400 W C 0.386 176.918 176.519 0.022 0.000 0.913 400 W CA -0.350 57.011 57.345 0.026 0.000 2.004 400 W CB -1.322 28.160 29.460 0.037 0.000 1.007 400 W HN 0.090 nan 8.180 nan 0.000 0.838 441 L N 1.004 122.252 121.223 0.042 0.000 3.291 441 L HA 0.400 4.740 4.340 -0.000 0.000 0.307 441 L C 1.456 178.292 176.870 -0.058 0.000 1.303 441 L CA -0.307 54.579 54.840 0.076 0.000 0.949 441 L CB 1.158 43.454 42.059 0.395 0.000 1.375 441 L HN -0.054 nan 8.230 nan 0.000 0.596 442 K N 0.515 120.847 120.400 -0.114 0.000 2.504 442 K HA -0.026 4.294 4.320 -0.000 0.000 0.195 442 K C 0.836 177.325 176.600 -0.185 0.000 1.036 442 K CA 0.854 57.076 56.287 -0.107 0.000 0.984 442 K CB 0.340 32.790 32.500 -0.083 0.000 0.788 442 K HN 0.395 nan 8.250 nan 0.000 0.488 443 N N -0.339 118.149 118.700 -0.354 0.000 2.356 443 N HA -0.017 4.723 4.740 -0.000 0.000 0.178 443 N C -0.453 174.822 175.510 -0.393 0.000 1.075 443 N CA 0.380 53.163 53.050 -0.446 0.000 0.889 443 N CB 0.285 38.406 38.487 -0.610 0.000 0.999 443 N HN 0.174 nan 8.380 nan 0.000 0.464 444 Y N 0.929 121.074 120.300 -0.258 0.000 2.330 444 Y HA 0.239 4.789 4.550 -0.000 0.000 0.336 444 Y C 0.504 175.993 175.900 -0.685 0.000 1.036 444 Y CA -1.158 56.657 58.100 -0.474 0.000 1.125 444 Y CB 1.108 39.223 38.460 -0.576 0.000 1.194 444 Y HN -0.172 nan 8.280 nan 0.000 0.469 445 T N 1.766 116.086 114.554 -0.390 0.000 2.747 445 T HA 0.494 4.844 4.350 -0.000 0.000 0.301 445 T C -0.623 173.892 174.700 -0.308 0.000 0.952 445 T CA -0.474 61.430 62.100 -0.326 0.000 0.983 445 T CB -0.392 68.396 68.868 -0.132 0.000 0.930 445 T HN 0.344 nan 8.240 nan 0.000 0.494 446 F N 0.781 120.801 119.950 0.117 0.000 2.572 446 F HA 0.560 5.087 4.527 -0.000 0.000 0.342 446 F C 0.231 176.117 175.800 0.143 0.000 1.064 446 F CA -1.785 56.297 58.000 0.137 0.000 1.008 446 F CB 1.240 40.365 39.000 0.209 0.000 1.303 446 F HN 0.494 nan 8.300 nan 0.000 0.492 447 W N 3.069 124.477 121.300 0.179 0.000 2.342 447 W HA 0.260 4.920 4.660 -0.000 0.000 0.310 447 W C -0.716 175.917 176.519 0.190 0.000 1.128 447 W CA -0.791 56.612 57.345 0.096 0.000 1.322 447 W CB 0.449 29.856 29.460 -0.089 0.000 1.251 447 W HN 0.448 nan 8.180 nan 0.000 0.439 448 E N 4.564 125.051 120.200 0.478 0.000 2.217 448 E HA 0.148 4.498 4.350 -0.000 0.000 0.279 448 E C -0.631 176.202 176.600 0.389 0.000 1.068 448 E CA -0.195 56.402 56.400 0.330 0.000 0.882 448 E CB 1.739 31.550 29.700 0.185 0.000 1.039 448 E HN 0.144 nan 8.360 nan 0.000 0.418 449 V N 4.262 124.331 119.914 0.258 0.000 2.313 449 V HA 0.090 4.210 4.120 -0.000 0.000 0.278 449 V C 0.111 176.242 176.094 0.061 0.000 1.017 449 V CA -0.780 61.618 62.300 0.162 0.000 0.823 449 V CB 1.549 33.408 31.823 0.061 0.000 1.010 449 V HN 0.482 nan 8.190 nan 0.000 0.443 450 D N 4.989 125.432 120.400 0.072 0.000 2.317 450 D HA 0.321 4.961 4.640 -0.000 0.000 0.234 450 D C 0.191 176.512 176.300 0.035 0.000 1.112 450 D CA -0.212 53.810 54.000 0.037 0.000 0.840 450 D CB 1.707 42.536 40.800 0.049 0.000 1.078 450 D HN 0.456 nan 8.370 nan 0.000 0.486 451 L N 4.102 125.331 121.223 0.010 0.000 3.017 451 L HA 0.182 4.522 4.340 -0.000 0.000 0.255 451 L C 1.874 178.796 176.870 0.087 0.000 1.247 451 L CA -0.207 54.673 54.840 0.067 0.000 1.038 451 L CB 0.349 42.442 42.059 0.057 0.000 1.380 451 L HN 0.176 nan 8.230 nan 0.000 0.548 452 K N 0.277 120.680 120.400 0.006 0.000 2.103 452 K HA -0.112 4.208 4.320 -0.000 0.000 0.204 452 K C 1.292 177.920 176.600 0.045 0.000 1.052 452 K CA 0.928 57.173 56.287 -0.070 0.000 0.945 452 K CB 0.274 32.751 32.500 -0.039 0.000 0.722 452 K HN 0.001 nan 8.250 nan 0.000 0.443 453 E N 0.573 120.836 120.200 0.105 0.000 2.444 453 E HA 0.018 4.368 4.350 -0.000 0.000 0.191 453 E C -0.017 176.704 176.600 0.203 0.000 1.041 453 E CA 0.314 56.808 56.400 0.157 0.000 0.883 453 E CB 0.405 30.177 29.700 0.119 0.000 1.024 453 E HN -0.072 nan 8.360 nan 0.000 0.470 454 K N 0.106 120.648 120.400 0.237 0.000 2.576 454 K HA 0.185 4.505 4.320 -0.000 0.000 0.209 454 K C -0.650 176.145 176.600 0.323 0.000 1.049 454 K CA -0.235 56.195 56.287 0.237 0.000 1.140 454 K CB -0.141 32.451 32.500 0.153 0.000 0.871 454 K HN -0.004 nan 8.250 nan 0.000 0.479 455 F N 0.109 120.108 119.950 0.082 0.000 2.397 455 F HA 0.409 4.936 4.527 -0.000 0.000 0.331 455 F C 0.821 176.798 175.800 0.295 0.000 1.090 455 F CA -0.858 57.205 58.000 0.104 0.000 1.065 455 F CB 1.698 40.683 39.000 -0.024 0.000 1.184 455 F HN -0.237 nan 8.300 nan 0.000 0.499 456 S N 0.527 116.500 115.700 0.456 0.000 2.564 456 S HA 0.771 5.241 4.470 -0.000 0.000 0.274 456 S C -0.221 174.533 174.600 0.255 0.000 1.124 456 S CA -0.049 58.396 58.200 0.407 0.000 0.869 456 S CB 1.625 65.041 63.200 0.360 0.000 1.105 456 S HN 0.742 nan 8.310 nan 0.000 0.472 457 A N 1.726 124.594 122.820 0.080 0.000 2.508 457 A HA 0.352 4.672 4.320 -0.000 0.000 0.257 457 A C -0.252 177.304 177.584 -0.047 0.000 1.226 457 A CA -0.177 51.634 52.037 -0.377 0.000 0.947 457 A CB 0.107 18.735 19.000 -0.620 0.000 1.079 457 A HN 0.712 nan 8.150 nan 0.000 0.531 458 D N 1.493 121.970 120.400 0.129 0.000 2.741 458 D HA 0.237 4.877 4.640 -0.000 0.000 0.233 458 D C 1.347 177.794 176.300 0.244 0.000 1.160 458 D CA -0.143 53.947 54.000 0.151 0.000 1.003 458 D CB 0.463 41.339 40.800 0.126 0.000 1.064 458 D HN 0.345 nan 8.370 nan 0.000 0.503 459 L N 0.156 121.499 121.223 0.201 0.000 2.010 459 L HA -0.282 4.058 4.340 -0.000 0.000 0.219 459 L C 2.225 179.231 176.870 0.227 0.000 1.077 459 L CA 1.353 56.349 54.840 0.259 0.000 0.773 459 L CB -0.438 41.733 42.059 0.186 0.000 0.892 459 L HN 0.197 nan 8.230 nan 0.000 0.436 460 D N 0.109 120.572 120.400 0.106 0.000 2.157 460 D HA -0.244 4.396 4.640 -0.000 0.000 0.191 460 D C 2.044 178.291 176.300 -0.087 0.000 1.004 460 D CA 1.463 55.478 54.000 0.026 0.000 0.854 460 D CB -0.099 40.702 40.800 0.002 0.000 0.936 460 D HN 0.278 nan 8.370 nan 0.000 0.446 461 Q N -0.834 118.833 119.800 -0.221 0.000 2.576 461 Q HA -0.060 4.280 4.340 -0.000 0.000 0.218 461 Q C -0.265 175.085 176.000 -1.084 0.000 0.983 461 Q CA 0.559 55.988 55.803 -0.623 0.000 0.920 461 Q CB -0.414 27.874 28.738 -0.750 0.000 0.973 461 Q HN 0.378 nan 8.270 nan 0.000 0.528 462 F N -0.431 119.406 119.950 -0.189 0.000 2.565 462 F HA 0.288 4.815 4.527 -0.000 0.000 0.313 462 F C -1.502 174.240 175.800 -0.096 0.000 1.091 462 F CA -2.762 55.092 58.000 -0.244 0.000 0.915 462 F CB 1.287 39.877 39.000 -0.683 0.000 1.208 462 F HN -0.267 nan 8.300 nan 0.000 0.453 463 P HA -0.252 nan 4.420 nan 0.000 0.212 463 P C 2.028 179.405 177.300 0.129 0.000 1.174 463 P CA 1.617 64.761 63.100 0.072 0.000 0.934 463 P CB 0.491 32.215 31.700 0.039 0.000 0.791 464 L N -0.649 120.665 121.223 0.152 0.000 2.013 464 L HA -0.165 4.175 4.340 -0.000 0.000 0.212 464 L C 2.656 179.710 176.870 0.307 0.000 1.073 464 L CA 2.354 57.296 54.840 0.170 0.000 0.753 464 L CB -1.388 40.725 42.059 0.090 0.000 0.890 464 L HN 0.073 nan 8.230 nan 0.000 0.432 465 G N -0.883 108.124 108.800 0.345 0.000 2.440 465 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.218 465 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.218 465 G C 1.679 176.746 174.900 0.279 0.000 1.154 465 G CA 0.740 46.050 45.100 0.349 0.000 0.767 465 G HN 0.321 nan 8.290 nan 0.000 0.552 466 R N 0.263 120.876 120.500 0.188 0.000 2.081 466 R HA -0.025 4.315 4.340 -0.000 0.000 0.235 466 R C 2.683 179.040 176.300 0.094 0.000 1.131 466 R CA 1.539 57.702 56.100 0.105 0.000 0.960 466 R CB -0.149 30.182 30.300 0.051 0.000 0.856 466 R HN 0.316 nan 8.270 nan 0.000 0.436 467 K N -0.522 119.973 120.400 0.157 0.000 2.057 467 K HA -0.170 4.150 4.320 -0.000 0.000 0.207 467 K C 1.856 178.563 176.600 0.179 0.000 1.049 467 K CA 1.380 57.786 56.287 0.200 0.000 0.931 467 K CB -0.303 32.371 32.500 0.290 0.000 0.714 467 K HN 0.086 nan 8.250 nan 0.000 0.440 468 F N 2.163 122.213 119.950 0.167 0.000 2.043 468 F HA -0.255 4.272 4.527 -0.000 0.000 0.297 468 F C 1.827 177.444 175.800 -0.304 0.000 1.121 468 F CA 1.563 59.454 58.000 -0.182 0.000 1.199 468 F CB -0.394 38.574 39.000 -0.054 0.000 0.968 468 F HN -0.116 nan 8.300 nan 0.000 0.478 469 L N -0.733 120.312 121.223 -0.296 0.000 1.994 469 L HA -0.208 4.132 4.340 -0.000 0.000 0.208 469 L C 2.413 179.047 176.870 -0.394 0.000 1.071 469 L CA 0.902 55.528 54.840 -0.356 0.000 0.745 469 L CB -0.964 41.062 42.059 -0.056 0.000 0.892 469 L HN 0.277 nan 8.230 nan 0.000 0.431 470 L N -0.050 121.033 121.223 -0.233 0.000 1.952 470 L HA -0.347 3.993 4.340 -0.000 0.000 0.231 470 L C 2.683 179.380 176.870 -0.290 0.000 1.088 470 L CA 2.071 56.789 54.840 -0.202 0.000 0.802 470 L CB -1.108 40.887 42.059 -0.106 0.000 0.903 470 L HN 0.375 nan 8.230 nan 0.000 0.439 471 Q N -0.416 119.193 119.800 -0.318 0.000 2.084 471 Q HA -0.312 4.028 4.340 -0.000 0.000 0.215 471 Q C 1.842 177.511 176.000 -0.552 0.000 1.020 471 Q CA 2.941 58.492 55.803 -0.418 0.000 0.887 471 Q CB -0.648 27.761 28.738 -0.548 0.000 0.975 471 Q HN 0.697 nan 8.270 nan 0.000 0.413 472 A N -0.552 121.773 122.820 -0.825 0.000 2.248 472 A HA 0.225 4.545 4.320 -0.000 0.000 0.210 472 A C 1.442 178.737 177.584 -0.483 0.000 1.174 472 A CA 1.712 53.274 52.037 -0.791 0.000 0.750 472 A CB -0.710 17.540 19.000 -1.251 0.000 0.780 472 A HN 0.788 nan 8.150 nan 0.000 0.478 473 G N -0.193 108.372 108.800 -0.391 0.000 2.950 473 G HA2 -0.321 3.638 3.960 -0.000 0.000 0.299 473 G HA3 -0.321 3.638 3.960 -0.000 0.000 0.299 473 G C 0.480 175.244 174.900 -0.228 0.000 1.310 473 G CA 0.432 45.382 45.100 -0.250 0.000 0.994 473 G HN 1.392 nan 8.290 nan 0.000 0.575 474 L N 0.000 121.112 121.223 -0.185 0.000 2.949 474 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 474 L CA 0.000 54.759 54.840 -0.136 0.000 0.813 474 L CB 0.000 42.010 42.059 -0.082 0.000 0.961 474 L HN 0.000 nan 8.230 nan 0.000 0.502