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 3bga_1_A DATA FIRST_RESID 27 DATA SEQUENCE LPEWQSQYAV GLNKLAPHTY VWPYADASDI GKPGGYEQSP YYXSLNGKWK DATA SEQUENCE FNWVKNPDNR PKDFYQPSYY TGGWADINVP GNWERQGYGT AIYVNETYEF DATA SEQUENCE DDKXFNFKKN PPLVPFAENE VGSYRRTFKV PADWKGRRVV LCCEGVISFY DATA SEQUENCE YVWVNGKLLG YNQGSKTAAE WDITDVLSEG ENVVALEVYR WSSGAYLECQ DATA SEQUENCE DXWRLSGIER DVYLYSTPKQ YIADYKVSAS LDKEKYKEGI FNLEVTVEGP DATA SEQUENCE SATASSIAYT LKDASGKAVL QDAINIKSRG LSNFIAFDEK KIAEVKAWNA DATA SEQUENCE EHPNLYTLVL ELKDAQGKVT ELTGCEVGFR TSEIKDGRFC INGVPVLVKG DATA SEQUENCE TNRHEHSQLG RTVSKELXEQ DIRLXKQHNI NXVRNSHYPT HPYWYQLCDR DATA SEQUENCE YGLYXIDEAN IESHGXGYGP ASLAKDSTWL TAHXDRTHRX YERSKNHPAI DATA SEQUENCE VIWSQGNEAG NGINFERTYD WLKSVEKGRP VQYERAELNY NTDIYcRXYR DATA SEQUENCE SVDEIKAYVG KKDIYRPFIL cEYLHAXGNS CGGXKEYWEV FENEPXAQGG DATA SEQUENCE CIWDWVDQNF REIDKDGKWY WTYGGDYGPE GIPSFGNFCG NGLVNAVREP DATA SEQUENCE HPHLLEVKKI YQNIKATLSD RKNLKVCIKN WYDFSNLNEY ILRWNVKGED DATA SEQUENCE GTVLAEGTKE VDCEPHATVD VTLGAVKLPN TVREAYLNLS WSRKEATPLV DATA SEQUENCE DTDWEVAYDQ FVLAGNKNTT AYRPQKAGET AFVVDKNTGA LSSLTLDGKE DATA SEQUENCE LLAAPITLSL FRPATDNDNR DRNGARLWRK AGLNNLTQKV VSLKEEKTSA DATA SEQUENCE TVRAEILNGK GQKVGXADFV YALDKNGALK VRTTFQPDTA IVKSXARLGL DATA SEQUENCE TFRXADAYNQ VSYLGRGDHE TYIDRNQSGR IGLYDTTVER XFHYYATPQS DATA SEQUENCE TANRTDVRWA KLTDQAGEGV FXESNRPFQF SIIPFSDVLL EKAHHINELE DATA SEQUENCE RDGXITIHLD AEQAGVGTAT CGPGVLPQYL VPVKKQSFEF TLYPVKEGHH DATA SEQUENCE HHH 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 27 L HA 0.000 nan 4.340 nan 0.000 0.249 27 L C 0.000 176.675 176.870 -0.325 0.000 1.165 27 L CA 0.000 54.680 54.840 -0.267 0.000 0.813 27 L CB 0.000 41.890 42.059 -0.282 0.000 0.961 28 P HA 0.179 nan 4.420 nan 0.000 0.272 28 P C 0.082 176.968 177.300 -0.691 0.000 1.240 28 P CA -0.263 62.522 63.100 -0.525 0.000 0.791 28 P CB 1.091 32.398 31.700 -0.655 0.000 0.978 29 E N 0.390 120.267 120.200 -0.539 0.000 2.118 29 E HA -0.149 4.201 4.350 0.000 0.000 0.195 29 E C 1.592 177.701 176.600 -0.819 0.000 0.992 29 E CA 1.618 57.652 56.400 -0.610 0.000 0.804 29 E CB -0.478 28.784 29.700 -0.729 0.000 0.741 29 E HN 0.631 nan 8.360 nan 0.000 0.458 30 W N -0.053 120.510 121.300 -1.229 0.000 2.961 30 W HA 0.056 4.716 4.660 0.000 0.000 0.240 30 W C 0.316 176.506 176.519 -0.548 0.000 1.305 30 W CA 0.217 56.797 57.345 -1.275 0.000 1.465 30 W CB -0.196 28.252 29.460 -1.687 0.000 1.135 30 W HN 0.037 nan 8.180 nan 0.000 0.688 31 Q N 0.807 120.190 119.800 -0.696 0.000 2.219 31 Q HA 0.089 4.429 4.340 0.000 0.000 0.209 31 Q C 0.083 175.913 176.000 -0.285 0.000 0.854 31 Q CA 0.259 55.785 55.803 -0.463 0.000 0.960 31 Q CB 1.101 29.462 28.738 -0.627 0.000 1.116 31 Q HN 0.084 nan 8.270 nan 0.000 0.500 32 S N 1.158 116.687 115.700 -0.285 0.000 2.454 32 S HA 0.156 4.626 4.470 0.000 0.000 0.306 32 S C 1.001 175.440 174.600 -0.267 0.000 1.100 32 S CA -0.494 57.580 58.200 -0.209 0.000 1.087 32 S CB 1.116 64.234 63.200 -0.136 0.000 1.019 32 S HN 0.163 nan 8.310 nan 0.000 0.480 33 Q N 3.935 123.430 119.800 -0.509 0.000 2.435 33 Q HA -0.081 4.259 4.340 0.000 0.000 0.207 33 Q C 0.227 175.825 176.000 -0.670 0.000 0.956 33 Q CA 1.294 56.561 55.803 -0.894 0.000 0.917 33 Q CB -0.424 27.070 28.738 -2.072 0.000 0.997 33 Q HN 0.885 nan 8.270 nan 0.000 0.497 34 Y N 1.349 121.450 120.300 -0.331 0.000 2.397 34 Y HA 0.284 4.835 4.550 0.000 0.000 0.292 34 Y C 1.835 177.680 175.900 -0.091 0.000 1.115 34 Y CA 0.522 58.499 58.100 -0.204 0.000 1.208 34 Y CB 0.036 38.392 38.460 -0.174 0.000 1.046 34 Y HN 0.165 nan 8.280 nan 0.000 0.552 35 A N 1.172 124.046 122.820 0.090 0.000 3.051 35 A HA 0.272 4.592 4.320 0.000 0.000 0.257 35 A C 1.546 179.290 177.584 0.266 0.000 1.785 35 A CA 0.329 52.476 52.037 0.183 0.000 1.420 35 A CB -1.413 17.596 19.000 0.016 0.000 1.063 35 A HN 0.352 nan 8.150 nan 0.000 0.630 36 V N -1.391 118.628 119.914 0.174 0.000 2.970 36 V HA 0.452 4.572 4.120 0.000 0.000 0.260 36 V C 0.903 177.071 176.094 0.123 0.000 1.100 36 V CA 0.820 63.196 62.300 0.126 0.000 1.122 36 V CB -1.128 30.710 31.823 0.025 0.000 0.721 36 V HN 1.106 nan 8.190 nan 0.000 0.483 37 G N -0.740 108.145 108.800 0.142 0.000 2.368 37 G HA2 0.532 4.492 3.960 0.000 0.000 0.293 37 G HA3 0.532 4.492 3.960 0.000 0.000 0.293 37 G C -2.264 172.432 174.900 -0.340 0.000 1.467 37 G CA -0.276 44.765 45.100 -0.099 0.000 0.804 37 G HN 0.450 nan 8.290 nan 0.000 0.535 38 L N 0.675 121.592 121.223 -0.509 0.000 2.543 38 L HA 0.622 4.962 4.340 0.000 0.000 0.265 38 L C 0.410 177.220 176.870 -0.100 0.000 0.945 38 L CA -0.291 54.302 54.840 -0.412 0.000 0.869 38 L CB 1.732 43.329 42.059 -0.770 0.000 1.294 38 L HN 0.736 nan 8.230 nan 0.000 0.405 39 N N 1.407 120.069 118.700 -0.063 0.000 2.828 39 N HA -0.200 4.541 4.740 0.000 0.000 0.248 39 N C -0.333 175.145 175.510 -0.055 0.000 1.044 39 N CA 1.182 54.248 53.050 0.026 0.000 0.851 39 N CB -0.999 37.570 38.487 0.136 0.000 1.136 39 N HN 0.690 nan 8.380 nan 0.000 0.572 40 K N 0.403 120.615 120.400 -0.314 0.000 2.149 40 K HA 0.282 4.602 4.320 0.000 0.000 0.245 40 K C 0.615 176.996 176.600 -0.366 0.000 1.024 40 K CA -0.558 55.303 56.287 -0.709 0.000 0.899 40 K CB 0.551 32.554 32.500 -0.829 0.000 1.038 40 K HN -0.106 nan 8.250 nan 0.000 0.496 41 L N 1.443 122.462 121.223 -0.340 0.000 2.417 41 L HA 0.129 4.469 4.340 0.000 0.000 0.268 41 L C 0.413 177.224 176.870 -0.099 0.000 1.158 41 L CA 0.410 55.170 54.840 -0.134 0.000 0.819 41 L CB 0.537 42.574 42.059 -0.038 0.000 1.112 41 L HN 0.716 nan 8.230 nan 0.000 0.458 42 A N 4.238 127.040 122.820 -0.029 0.000 2.483 42 A HA 0.433 4.753 4.320 0.000 0.000 0.238 42 A C -2.140 175.447 177.584 0.004 0.000 1.070 42 A CA -0.901 51.119 52.037 -0.029 0.000 0.770 42 A CB -0.838 18.155 19.000 -0.011 0.000 1.008 42 A HN 0.599 nan 8.150 nan 0.000 0.497 43 P HA 0.290 nan 4.420 nan 0.000 0.265 43 P C -0.652 176.567 177.300 -0.135 0.000 1.187 43 P CA 0.987 63.977 63.100 -0.184 0.000 0.766 43 P CB 0.290 31.912 31.700 -0.131 0.000 0.820 44 H N -1.918 117.012 119.070 -0.234 0.000 2.948 44 H HA 0.561 5.117 4.556 0.000 0.000 0.315 44 H C -0.813 174.268 175.328 -0.412 0.000 1.360 44 H CA -1.056 54.837 56.048 -0.258 0.000 1.125 44 H CB 0.287 29.931 29.762 -0.197 0.000 1.844 44 H HN 0.256 nan 8.280 nan 0.000 0.529 45 T N 0.280 114.663 114.554 -0.285 0.000 2.899 45 T HA 0.209 4.559 4.350 0.000 0.000 0.295 45 T C -0.599 173.852 174.700 -0.414 0.000 1.033 45 T CA -0.353 61.468 62.100 -0.466 0.000 1.084 45 T CB -0.084 68.416 68.868 -0.613 0.000 0.979 45 T HN 0.376 nan 8.240 nan 0.000 0.532 46 Y N 2.547 122.532 120.300 -0.524 0.000 2.632 46 Y HA 0.274 4.824 4.550 0.000 0.000 0.329 46 Y C 0.962 176.404 175.900 -0.763 0.000 1.174 46 Y CA 0.005 57.568 58.100 -0.896 0.000 1.469 46 Y CB 0.379 37.806 38.460 -1.721 0.000 1.242 46 Y HN 0.392 nan 8.280 nan 0.000 0.540 47 V N 1.128 120.743 119.914 -0.499 0.000 2.572 47 V HA 0.257 4.378 4.120 0.000 0.000 0.274 47 V C -0.736 175.246 176.094 -0.186 0.000 1.075 47 V CA -1.290 60.907 62.300 -0.171 0.000 1.237 47 V CB -0.486 31.323 31.823 -0.025 0.000 1.517 47 V HN 0.624 nan 8.190 nan 0.000 0.616 48 W N 2.923 124.160 121.300 -0.106 0.000 2.264 48 W HA 0.315 4.975 4.660 0.000 0.000 0.331 48 W C -2.185 174.276 176.519 -0.097 0.000 1.364 48 W CA -1.750 55.434 57.345 -0.269 0.000 1.253 48 W CB 0.398 29.618 29.460 -0.399 0.000 1.215 48 W HN 0.296 nan 8.180 nan 0.000 0.561 49 P HA 0.187 nan 4.420 nan 0.000 0.281 49 P C -1.336 176.123 177.300 0.266 0.000 1.252 49 P CA 0.097 63.321 63.100 0.208 0.000 0.778 49 P CB 0.812 32.549 31.700 0.061 0.000 0.895 50 Y N 0.869 121.355 120.300 0.309 0.000 2.528 50 Y HA 0.510 5.061 4.550 0.000 0.000 0.335 50 Y C 1.447 177.551 175.900 0.339 0.000 1.093 50 Y CA -0.741 57.542 58.100 0.304 0.000 1.134 50 Y CB 1.868 40.452 38.460 0.207 0.000 1.253 50 Y HN 0.395 nan 8.280 nan 0.000 0.478 51 A N 0.089 123.167 122.820 0.431 0.000 2.085 51 A HA 0.085 4.405 4.320 0.000 0.000 0.208 51 A C -0.134 177.584 177.584 0.224 0.000 1.191 51 A CA 0.585 52.808 52.037 0.310 0.000 0.799 51 A CB 0.169 19.245 19.000 0.127 0.000 0.877 51 A HN 0.618 nan 8.150 nan 0.000 0.473 52 D N -0.468 120.069 120.400 0.228 0.000 2.453 52 D HA 0.585 5.225 4.640 0.000 0.000 0.238 52 D C 0.811 177.170 176.300 0.099 0.000 1.088 52 D CA 0.213 54.299 54.000 0.143 0.000 0.854 52 D CB 1.444 42.311 40.800 0.112 0.000 1.076 52 D HN 0.081 nan 8.370 nan 0.000 0.533 53 A N 2.895 125.735 122.820 0.034 0.000 2.131 53 A HA -0.138 4.182 4.320 0.000 0.000 0.220 53 A C 2.036 179.557 177.584 -0.104 0.000 1.158 53 A CA 1.495 53.487 52.037 -0.074 0.000 0.665 53 A CB -0.238 18.738 19.000 -0.040 0.000 0.795 53 A HN 0.485 nan 8.150 nan 0.000 0.460 54 S N -0.324 115.353 115.700 -0.038 0.000 2.447 54 S HA -0.117 4.353 4.470 0.000 0.000 0.233 54 S C 1.160 175.739 174.600 -0.035 0.000 1.006 54 S CA 1.293 59.474 58.200 -0.032 0.000 0.957 54 S CB -0.383 62.815 63.200 -0.003 0.000 0.773 54 S HN 0.581 nan 8.310 nan 0.000 0.507 55 D N 1.047 121.436 120.400 -0.017 0.000 2.355 55 D HA 0.147 4.788 4.640 0.000 0.000 0.218 55 D C 1.561 177.853 176.300 -0.014 0.000 1.004 55 D CA 0.238 54.263 54.000 0.042 0.000 0.880 55 D CB -0.168 40.750 40.800 0.197 0.000 0.911 55 D HN 0.473 nan 8.370 nan 0.000 0.528 56 I N 0.585 120.990 120.570 -0.275 0.000 2.361 56 I HA -0.143 4.027 4.170 0.000 0.000 0.251 56 I C 2.289 178.378 176.117 -0.048 0.000 1.133 56 I CA 1.198 62.307 61.300 -0.318 0.000 1.413 56 I CB -0.153 37.594 38.000 -0.422 0.000 1.073 56 I HN 0.021 nan 8.210 nan 0.000 0.424 57 G N 0.834 109.607 108.800 -0.046 0.000 2.813 57 G HA2 -0.024 3.936 3.960 0.000 0.000 0.209 57 G HA3 -0.024 3.936 3.960 0.000 0.000 0.209 57 G C 0.607 175.498 174.900 -0.014 0.000 1.150 57 G CA -0.167 44.921 45.100 -0.020 0.000 0.785 57 G HN 0.264 nan 8.290 nan 0.000 0.535 58 K N 1.670 122.074 120.400 0.006 0.000 2.262 58 K HA 0.293 4.613 4.320 0.000 0.000 0.282 58 K C -2.692 173.917 176.600 0.016 0.000 1.066 58 K CA -1.792 54.497 56.287 0.003 0.000 0.901 58 K CB 1.512 34.019 32.500 0.011 0.000 1.089 58 K HN -0.072 nan 8.250 nan 0.000 0.476 59 P HA -0.078 nan 4.420 nan 0.000 0.260 59 P C 0.663 178.002 177.300 0.065 0.000 1.185 59 P CA 0.922 63.972 63.100 -0.084 0.000 0.763 59 P CB 0.593 32.077 31.700 -0.359 0.000 0.776 60 G N 3.226 112.044 108.800 0.029 0.000 2.184 60 G HA2 -0.303 3.657 3.960 0.000 0.000 0.264 60 G HA3 -0.303 3.657 3.960 0.000 0.000 0.264 60 G C 1.302 175.816 174.900 -0.645 0.000 0.975 60 G CA 0.310 45.184 45.100 -0.378 0.000 0.642 60 G HN 0.707 nan 8.290 nan 0.000 0.536 61 G N 0.450 109.088 108.800 -0.270 0.000 2.448 61 G HA2 -0.024 3.936 3.960 0.000 0.000 0.219 61 G HA3 -0.024 3.936 3.960 0.000 0.000 0.219 61 G C 1.418 176.178 174.900 -0.235 0.000 1.127 61 G CA 1.617 46.628 45.100 -0.149 0.000 0.766 61 G HN 1.167 nan 8.290 nan 0.000 0.552 62 Y N 0.519 120.618 120.300 -0.336 0.000 2.403 62 Y HA 0.062 4.613 4.550 0.000 0.000 0.291 62 Y C 2.146 177.469 175.900 -0.963 0.000 1.143 62 Y CA 1.026 58.638 58.100 -0.814 0.000 1.257 62 Y CB -0.466 37.236 38.460 -1.264 0.000 0.984 62 Y HN 0.344 nan 8.280 nan 0.000 0.550 63 E N 0.351 119.723 120.200 -1.379 0.000 2.418 63 E HA -0.106 4.244 4.350 0.000 0.000 0.197 63 E C 1.076 177.289 176.600 -0.646 0.000 1.026 63 E CA 0.540 56.041 56.400 -1.498 0.000 0.862 63 E CB -0.098 28.913 29.700 -1.149 0.000 0.799 63 E HN 0.621 nan 8.360 nan 0.000 0.518 64 Q N 0.326 119.890 119.800 -0.393 0.000 2.220 64 Q HA 0.131 4.471 4.340 0.000 0.000 0.205 64 Q C 0.404 176.376 176.000 -0.047 0.000 0.865 64 Q CA 0.039 55.754 55.803 -0.146 0.000 0.960 64 Q CB 0.831 29.505 28.738 -0.107 0.000 1.097 64 Q HN -0.029 nan 8.270 nan 0.000 0.493 65 S N 2.845 118.513 115.700 -0.053 0.000 2.565 65 S HA 0.215 4.685 4.470 0.000 0.000 0.274 65 S C -1.509 173.162 174.600 0.119 0.000 1.309 65 S CA -1.278 56.950 58.200 0.047 0.000 1.043 65 S CB 0.939 64.157 63.200 0.030 0.000 0.939 65 S HN 0.001 nan 8.310 nan 0.000 0.504 66 P HA -0.002 nan 4.420 nan 0.000 0.242 66 P C -0.155 177.239 177.300 0.158 0.000 1.197 66 P CA 0.741 63.828 63.100 -0.021 0.000 0.765 66 P CB -0.125 31.441 31.700 -0.222 0.000 0.936 67 Y N -1.980 118.553 120.300 0.389 0.000 2.524 67 Y HA 0.282 4.832 4.550 0.000 0.000 0.266 67 Y C 0.960 177.102 175.900 0.404 0.000 1.180 67 Y CA -0.803 57.470 58.100 0.289 0.000 1.244 67 Y CB -0.345 38.157 38.460 0.069 0.000 1.125 67 Y HN -0.051 nan 8.280 nan 0.000 0.524 71 L N 2.528 123.847 121.223 0.160 0.000 2.959 71 L HA 0.381 4.721 4.340 0.000 0.000 0.259 71 L C 0.249 177.340 176.870 0.367 0.000 1.185 71 L CA -0.365 54.566 54.840 0.152 0.000 0.998 71 L CB 0.090 42.219 42.059 0.117 0.000 1.337 71 L HN 0.497 nan 8.230 nan 0.000 0.555 72 N N 0.907 119.798 118.700 0.319 0.000 2.326 72 N HA 0.491 5.231 4.740 0.000 0.000 0.239 72 N C 0.729 176.431 175.510 0.320 0.000 1.301 72 N CA 1.106 54.358 53.050 0.336 0.000 0.909 72 N CB 0.851 39.471 38.487 0.221 0.000 1.156 72 N HN 0.254 nan 8.380 nan 0.000 0.462 73 G N -0.290 108.698 108.800 0.312 0.000 2.341 73 G HA2 -0.139 3.821 3.960 0.000 0.000 0.196 73 G HA3 -0.139 3.821 3.960 0.000 0.000 0.196 73 G C -1.381 173.740 174.900 0.368 0.000 1.231 73 G CA -0.704 44.551 45.100 0.257 0.000 1.155 73 G HN 0.417 nan 8.290 nan 0.000 0.529 74 K N -0.040 120.529 120.400 0.281 0.000 2.276 74 K HA 0.487 4.807 4.320 0.000 0.000 0.283 74 K C -1.131 175.705 176.600 0.393 0.000 1.044 74 K CA 0.063 56.532 56.287 0.303 0.000 0.944 74 K CB 1.141 33.744 32.500 0.171 0.000 1.012 74 K HN 0.421 nan 8.250 nan 0.000 0.472 75 W N 1.645 123.048 121.300 0.172 0.000 2.936 75 W HA 0.292 4.952 4.660 0.000 0.000 0.338 75 W C 0.062 176.735 176.519 0.256 0.000 1.121 75 W CA -0.818 56.669 57.345 0.237 0.000 1.209 75 W CB 0.914 30.587 29.460 0.354 0.000 1.420 75 W HN 0.162 nan 8.180 nan 0.000 0.516 76 K N 2.156 122.844 120.400 0.480 0.000 2.326 76 K HA 0.365 4.685 4.320 0.000 0.000 0.275 76 K C -0.928 176.052 176.600 0.634 0.000 1.018 76 K CA -0.265 56.296 56.287 0.456 0.000 0.962 76 K CB 0.435 33.106 32.500 0.286 0.000 0.953 76 K HN 0.442 nan 8.250 nan 0.000 0.475 77 F N 1.558 121.696 119.950 0.314 0.000 2.601 77 F HA 0.372 4.899 4.527 0.001 0.000 0.309 77 F C -0.842 174.666 175.800 -0.487 0.000 1.089 77 F CA -0.866 57.064 58.000 -0.116 0.000 0.940 77 F CB 1.895 40.659 39.000 -0.394 0.000 1.273 77 F HN 0.521 nan 8.300 nan 0.000 0.450 78 N N 3.981 121.581 118.700 -1.833 0.000 2.369 78 N HA 0.212 4.952 4.740 0.000 0.000 0.287 78 N C -2.383 172.044 175.510 -1.805 0.000 1.067 78 N CA -0.236 51.745 53.050 -1.782 0.000 0.888 78 N CB 1.991 39.105 38.487 -2.288 0.000 1.616 78 N HN 0.806 nan 8.380 nan 0.000 0.482 79 W N 4.950 125.411 121.300 -1.397 0.000 2.702 79 W HA 0.630 5.290 4.660 -0.000 0.000 0.331 79 W C -1.188 174.912 176.519 -0.697 0.000 1.049 79 W CA -0.470 56.191 57.345 -1.141 0.000 1.230 79 W CB 0.912 29.819 29.460 -0.921 0.000 1.408 79 W HN 0.275 nan 8.180 nan 0.000 0.492 80 V N 2.825 121.844 119.914 -1.491 0.000 3.012 80 V HA 0.561 4.681 4.120 0.000 0.000 0.307 80 V C -1.255 173.946 176.094 -1.489 0.000 1.166 80 V CA -1.540 59.999 62.300 -1.268 0.000 0.974 80 V CB 1.540 32.928 31.823 -0.725 0.000 1.040 80 V HN 0.622 nan 8.190 nan 0.000 0.428 81 K N 3.737 123.467 120.400 -1.117 0.000 2.213 81 K HA 0.555 4.875 4.320 0.000 0.000 0.270 81 K C -0.254 176.095 176.600 -0.418 0.000 1.002 81 K CA -0.290 55.570 56.287 -0.711 0.000 0.868 81 K CB 0.534 32.830 32.500 -0.340 0.000 1.093 81 K HN 1.120 nan 8.250 nan 0.000 0.454 82 N N 4.428 122.895 118.700 -0.388 0.000 4.160 82 N HA -0.078 4.662 4.740 0.000 0.000 0.301 82 N C -2.525 172.765 175.510 -0.367 0.000 2.203 82 N CA -0.353 52.491 53.050 -0.343 0.000 2.758 82 N CB -0.131 38.243 38.487 -0.188 0.000 0.366 82 N HN 0.412 nan 8.380 nan 0.000 0.575 83 P HA -0.128 nan 4.420 nan 0.000 0.217 83 P C 0.652 177.926 177.300 -0.042 0.000 1.151 83 P CA 1.314 64.280 63.100 -0.224 0.000 0.849 83 P CB 0.132 31.752 31.700 -0.134 0.000 0.787 84 D N -1.432 118.984 120.400 0.027 0.000 2.309 84 D HA -0.100 4.540 4.640 0.000 0.000 0.212 84 D C 1.159 177.481 176.300 0.035 0.000 0.968 84 D CA 0.955 55.037 54.000 0.136 0.000 0.882 84 D CB -0.715 40.220 40.800 0.226 0.000 0.918 84 D HN 0.401 nan 8.370 nan 0.000 0.503 85 N N -0.012 118.652 118.700 -0.060 0.000 2.280 85 N HA 0.010 4.750 4.740 0.000 0.000 0.192 85 N C 0.490 175.910 175.510 -0.150 0.000 1.109 85 N CA -0.320 52.673 53.050 -0.096 0.000 0.855 85 N CB 0.709 39.112 38.487 -0.140 0.000 0.974 85 N HN 0.201 nan 8.380 nan 0.000 0.482 86 R N 2.195 122.591 120.500 -0.174 0.000 2.738 86 R HA 0.182 4.522 4.340 0.000 0.000 0.268 86 R C -2.427 173.798 176.300 -0.125 0.000 1.062 86 R CA -1.033 54.925 56.100 -0.237 0.000 1.158 86 R CB -0.459 29.691 30.300 -0.251 0.000 1.046 86 R HN -0.138 nan 8.270 nan 0.000 0.493 87 P HA 0.134 nan 4.420 nan 0.000 0.238 87 P C -0.606 176.701 177.300 0.011 0.000 1.794 87 P CA -0.340 62.752 63.100 -0.014 0.000 1.088 87 P CB 0.716 32.465 31.700 0.081 0.000 1.923 88 K N 0.878 121.317 120.400 0.065 0.000 2.144 88 K HA -0.162 4.159 4.320 0.000 0.000 0.209 88 K C 0.644 177.287 176.600 0.072 0.000 1.047 88 K CA 1.471 57.842 56.287 0.140 0.000 0.927 88 K CB -0.142 32.441 32.500 0.138 0.000 0.716 88 K HN 0.402 nan 8.250 nan 0.000 0.454 89 D N 0.354 120.654 120.400 -0.167 0.000 2.358 89 D HA 0.002 4.642 4.640 0.000 0.000 0.224 89 D C 1.186 176.894 176.300 -0.986 0.000 1.123 89 D CA -0.049 53.620 54.000 -0.551 0.000 0.833 89 D CB -0.124 40.513 40.800 -0.272 0.000 0.946 89 D HN 0.290 nan 8.370 nan 0.000 0.505 90 F N 0.686 119.946 119.950 -1.150 0.000 2.307 90 F HA -0.253 4.274 4.527 0.000 0.000 0.301 90 F C 2.030 177.435 175.800 -0.659 0.000 1.076 90 F CA 0.547 57.821 58.000 -1.209 0.000 1.383 90 F CB -0.890 37.756 39.000 -0.590 0.000 1.055 90 F HN -0.002 nan 8.300 nan 0.000 0.526 91 Y N 0.827 120.220 120.300 -1.512 0.000 2.439 91 Y HA 0.204 4.754 4.550 0.001 0.000 0.292 91 Y C 0.682 176.181 175.900 -0.668 0.000 1.130 91 Y CA -0.576 56.712 58.100 -1.353 0.000 1.254 91 Y CB -1.514 35.657 38.460 -2.148 0.000 1.000 91 Y HN 0.181 nan 8.280 nan 0.000 0.554 92 Q N 2.848 122.019 119.800 -1.048 0.000 2.297 92 Q HA 0.067 4.407 4.340 0.000 0.000 0.267 92 Q C -1.838 174.011 176.000 -0.252 0.000 1.006 92 Q CA -1.549 53.934 55.803 -0.533 0.000 0.896 92 Q CB 0.840 29.267 28.738 -0.518 0.000 1.186 92 Q HN 0.171 nan 8.270 nan 0.000 0.392 93 P HA -0.288 nan 4.420 nan 0.000 0.217 93 P C 1.351 178.608 177.300 -0.072 0.000 1.151 93 P CA 1.793 64.836 63.100 -0.095 0.000 0.849 93 P CB 0.163 31.819 31.700 -0.072 0.000 0.787 94 S N -2.794 112.866 115.700 -0.066 0.000 2.453 94 S HA -0.157 4.313 4.470 0.000 0.000 0.231 94 S C 0.832 175.414 174.600 -0.029 0.000 1.005 94 S CA -0.091 58.080 58.200 -0.049 0.000 0.949 94 S CB -1.497 61.671 63.200 -0.054 0.000 0.774 94 S HN 0.101 nan 8.310 nan 0.000 0.510 95 Y N 2.222 122.426 120.300 -0.159 0.000 2.712 95 Y HA 0.182 4.732 4.550 0.001 0.000 0.333 95 Y C 0.027 175.859 175.900 -0.113 0.000 1.225 95 Y CA -0.624 57.388 58.100 -0.145 0.000 1.499 95 Y CB 0.119 38.445 38.460 -0.223 0.000 1.288 95 Y HN 0.317 nan 8.280 nan 0.000 0.575 96 Y N 5.940 125.847 120.300 -0.654 0.000 2.350 96 Y HA 0.215 4.765 4.550 0.001 0.000 0.340 96 Y C 0.868 176.459 175.900 -0.515 0.000 1.006 96 Y CA -0.236 57.584 58.100 -0.466 0.000 1.166 96 Y CB 0.901 39.121 38.460 -0.399 0.000 1.168 96 Y HN 0.739 nan 8.280 nan 0.000 0.502 97 T N -0.005 113.987 114.554 -0.937 0.000 3.044 97 T HA 0.169 4.520 4.350 0.000 0.000 0.260 97 T C 1.755 175.835 174.700 -1.033 0.000 1.019 97 T CA 0.297 61.653 62.100 -1.241 0.000 0.921 97 T CB 0.081 68.306 68.868 -1.071 0.000 1.053 97 T HN 0.734 nan 8.240 nan 0.000 0.533 98 G N 1.531 109.442 108.800 -1.483 0.000 2.501 98 G HA2 0.057 4.017 3.960 0.000 0.000 0.220 98 G HA3 0.057 4.017 3.960 0.000 0.000 0.220 98 G C 1.350 175.998 174.900 -0.420 0.000 1.114 98 G CA 0.488 45.053 45.100 -0.892 0.000 0.757 98 G HN 0.639 nan 8.290 nan 0.000 0.559 99 G N -1.200 107.359 108.800 -0.401 0.000 3.042 99 G HA2 0.240 4.200 3.960 0.000 0.000 0.212 99 G HA3 0.240 4.200 3.960 0.000 0.000 0.212 99 G C 0.172 175.225 174.900 0.255 0.000 1.166 99 G CA -0.639 44.503 45.100 0.071 0.000 0.767 99 G HN 0.189 nan 8.290 nan 0.000 0.546 100 W N 0.256 121.494 121.300 -0.102 0.000 2.253 100 W HA 0.748 5.408 4.660 -0.000 0.000 0.348 100 W C 0.535 177.059 176.519 0.008 0.000 1.229 100 W CA -1.710 55.611 57.345 -0.041 0.000 1.335 100 W CB 0.663 30.093 29.460 -0.050 0.000 1.165 100 W HN 0.091 nan 8.180 nan 0.000 0.631 101 A N 1.186 124.168 122.820 0.270 0.000 2.249 101 A HA 0.445 4.766 4.320 0.000 0.000 0.281 101 A C -0.248 177.492 177.584 0.260 0.000 1.127 101 A CA -0.398 51.771 52.037 0.220 0.000 0.833 101 A CB 0.172 19.303 19.000 0.219 0.000 1.140 101 A HN 0.539 nan 8.150 nan 0.000 0.502 102 D N -0.836 119.692 120.400 0.213 0.000 2.217 102 D HA 0.570 5.210 4.640 0.000 0.000 0.248 102 D C -1.077 175.339 176.300 0.193 0.000 1.008 102 D CA 0.147 54.278 54.000 0.219 0.000 0.914 102 D CB 2.006 42.906 40.800 0.166 0.000 1.182 102 D HN 0.282 nan 8.370 nan 0.000 0.451 103 I N 0.470 121.149 120.570 0.180 0.000 2.730 103 I HA 0.214 4.384 4.170 0.000 0.000 0.298 103 I C -0.898 175.280 176.117 0.103 0.000 1.089 103 I CA -0.667 60.646 61.300 0.022 0.000 1.041 103 I CB 1.863 39.647 38.000 -0.360 0.000 1.235 103 I HN 0.186 nan 8.210 nan 0.000 0.423 104 N N 4.493 123.218 118.700 0.041 0.000 2.472 104 N HA 0.533 5.273 4.740 0.000 0.000 0.277 104 N C -1.387 174.144 175.510 0.036 0.000 1.081 104 N CA -0.451 52.642 53.050 0.071 0.000 0.973 104 N CB 1.380 39.886 38.487 0.031 0.000 1.105 104 N HN 0.265 nan 8.380 nan 0.000 0.470 105 V N 4.410 124.359 119.914 0.059 0.000 2.487 105 V HA 0.456 4.576 4.120 0.000 0.000 0.298 105 V C -1.914 174.189 176.094 0.015 0.000 1.028 105 V CA -1.465 60.783 62.300 -0.086 0.000 0.860 105 V CB 1.780 33.331 31.823 -0.452 0.000 0.991 105 V HN 0.637 nan 8.190 nan 0.000 0.427 106 P HA 0.670 nan 4.420 nan 0.000 0.281 106 P C -0.192 177.077 177.300 -0.051 0.000 1.281 106 P CA -0.327 62.731 63.100 -0.070 0.000 0.811 106 P CB 1.911 33.595 31.700 -0.027 0.000 1.154 107 G N -0.323 108.438 108.800 -0.065 0.000 2.542 107 G HA2 -0.021 3.939 3.960 0.000 0.000 0.391 107 G HA3 -0.021 3.939 3.960 0.000 0.000 0.391 107 G C -1.220 173.640 174.900 -0.067 0.000 1.551 107 G CA -0.970 44.094 45.100 -0.060 0.000 0.946 107 G HN 0.527 nan 8.290 nan 0.000 0.662 108 N N 0.593 119.239 118.700 -0.091 0.000 2.407 108 N HA 0.239 4.980 4.740 0.000 0.000 0.250 108 N C 1.383 176.851 175.510 -0.071 0.000 1.236 108 N CA 0.829 53.798 53.050 -0.135 0.000 0.879 108 N CB 0.511 38.896 38.487 -0.170 0.000 1.088 108 N HN 0.810 nan 8.380 nan 0.000 0.450 109 W N 1.814 123.041 121.300 -0.122 0.000 2.465 109 W HA 0.063 4.723 4.660 0.001 0.000 0.268 109 W C 0.880 177.322 176.519 -0.127 0.000 1.242 109 W CA 0.444 57.686 57.345 -0.172 0.000 1.248 109 W CB -0.528 28.789 29.460 -0.238 0.000 1.118 109 W HN 0.522 nan 8.180 nan 0.000 0.587 110 E N 0.599 120.871 120.200 0.120 0.000 2.268 110 E HA -0.109 4.241 4.350 0.000 0.000 0.195 110 E C 1.828 178.276 176.600 -0.252 0.000 0.995 110 E CA 1.080 57.463 56.400 -0.028 0.000 0.836 110 E CB -0.212 29.390 29.700 -0.162 0.000 0.763 110 E HN 0.035 nan 8.360 nan 0.000 0.491 111 R N 0.308 120.644 120.500 -0.273 0.000 2.356 111 R HA 0.162 4.502 4.340 0.000 0.000 0.234 111 R C 0.249 176.424 176.300 -0.208 0.000 0.929 111 R CA 0.237 56.122 56.100 -0.359 0.000 1.084 111 R CB 0.273 30.337 30.300 -0.394 0.000 1.105 111 R HN 0.296 nan 8.270 nan 0.000 0.515 112 Q N -0.893 118.837 119.800 -0.118 0.000 2.089 112 Q HA 0.226 4.566 4.340 0.000 0.000 0.248 112 Q C 0.177 176.093 176.000 -0.139 0.000 0.828 112 Q CA 0.157 55.916 55.803 -0.074 0.000 1.102 112 Q CB 1.470 30.207 28.738 -0.001 0.000 1.221 112 Q HN 0.357 nan 8.270 nan 0.000 0.455 113 G N 0.492 109.149 108.800 -0.238 0.000 2.157 113 G HA2 -0.298 3.662 3.960 0.000 0.000 0.248 113 G HA3 -0.298 3.662 3.960 0.000 0.000 0.248 113 G C -0.409 174.097 174.900 -0.656 0.000 0.979 113 G CA -0.004 44.843 45.100 -0.422 0.000 0.650 113 G HN 0.339 nan 8.290 nan 0.000 0.529 114 Y N 0.012 120.125 120.300 -0.313 0.000 2.446 114 Y HA 0.556 5.106 4.550 0.000 0.000 0.338 114 Y C 1.322 176.888 175.900 -0.556 0.000 1.055 114 Y CA 0.222 57.948 58.100 -0.624 0.000 1.101 114 Y CB 1.599 39.588 38.460 -0.785 0.000 1.221 114 Y HN 0.995 nan 8.280 nan 0.000 0.460 115 G N 1.254 109.537 108.800 -0.862 0.000 2.574 115 G HA2 -0.176 3.784 3.960 0.000 0.000 0.282 115 G HA3 -0.176 3.784 3.960 0.000 0.000 0.282 115 G C -0.719 174.161 174.900 -0.033 0.000 1.257 115 G CA 0.113 45.025 45.100 -0.314 0.000 0.956 115 G HN 0.770 nan 8.290 nan 0.000 0.560 116 T N 0.217 114.863 114.554 0.153 0.000 3.109 116 T HA 0.702 5.052 4.350 0.000 0.000 0.311 116 T C 0.157 174.979 174.700 0.202 0.000 1.011 116 T CA 0.471 62.674 62.100 0.173 0.000 1.026 116 T CB 1.663 70.700 68.868 0.280 0.000 1.047 116 T HN 1.874 nan 8.240 nan 0.000 0.448 117 A N 3.775 126.645 122.820 0.084 0.000 2.450 117 A HA 0.737 5.057 4.320 0.000 0.000 0.255 117 A C -0.173 177.773 177.584 0.603 0.000 1.096 117 A CA -0.276 51.866 52.037 0.175 0.000 0.778 117 A CB -0.232 18.562 19.000 -0.343 0.000 1.031 117 A HN 0.849 nan 8.150 nan 0.000 0.494 118 I N 1.952 122.940 120.570 0.697 0.000 2.498 118 I HA 0.284 4.454 4.170 0.000 0.000 0.290 118 I C -1.158 175.257 176.117 0.497 0.000 1.032 118 I CA -0.526 61.143 61.300 0.615 0.000 1.073 118 I CB 2.021 40.299 38.000 0.463 0.000 1.251 118 I HN 0.726 nan 8.210 nan 0.000 0.426 119 Y N 7.936 128.255 120.300 0.031 0.000 2.345 119 Y HA 0.698 5.248 4.550 0.000 0.000 0.331 119 Y C -1.007 174.840 175.900 -0.088 0.000 0.959 119 Y CA -0.943 56.944 58.100 -0.356 0.000 1.204 119 Y CB 1.078 38.817 38.460 -1.203 0.000 1.135 119 Y HN 0.297 nan 8.280 nan 0.000 0.477 120 V N 3.300 122.749 119.914 -0.775 0.000 3.102 120 V HA 0.641 4.761 4.120 0.000 0.000 0.312 120 V C -0.557 175.074 176.094 -0.772 0.000 1.135 120 V CA -0.733 61.140 62.300 -0.710 0.000 1.022 120 V CB 1.956 33.577 31.823 -0.336 0.000 1.056 120 V HN 0.728 nan 8.190 nan 0.000 0.436 121 N N 0.903 119.155 118.700 -0.746 0.000 2.476 121 N HA 0.138 4.878 4.740 0.000 0.000 0.234 121 N C 1.093 176.217 175.510 -0.644 0.000 1.035 121 N CA 1.186 53.840 53.050 -0.660 0.000 1.194 121 N CB 0.225 38.093 38.487 -1.032 0.000 1.542 121 N HN 0.821 nan 8.380 nan 0.000 0.628 122 E N 0.077 119.749 120.200 -0.879 0.000 2.445 122 E HA 0.085 4.435 4.350 0.000 0.000 0.189 122 E C -0.176 175.979 176.600 -0.741 0.000 1.069 122 E CA 0.093 55.903 56.400 -0.984 0.000 0.871 122 E CB 0.091 29.076 29.700 -1.192 0.000 0.991 122 E HN 0.517 nan 8.360 nan 0.000 0.481 123 T N -2.623 111.553 114.554 -0.630 0.000 2.907 123 T HA 0.399 4.749 4.350 0.000 0.000 0.290 123 T C -0.582 173.755 174.700 -0.605 0.000 1.066 123 T CA -0.833 60.941 62.100 -0.544 0.000 1.012 123 T CB 0.885 69.537 68.868 -0.361 0.000 1.184 123 T HN -0.060 nan 8.240 nan 0.000 0.522 124 Y N 1.767 121.806 120.300 -0.435 0.000 2.327 124 Y HA 0.252 4.802 4.550 0.000 0.000 0.336 124 Y C 2.083 177.593 175.900 -0.650 0.000 1.035 124 Y CA -0.763 56.894 58.100 -0.738 0.000 1.165 124 Y CB 1.234 38.894 38.460 -1.334 0.000 1.181 124 Y HN 0.830 nan 8.280 nan 0.000 0.494 125 E N 3.207 123.208 120.200 -0.332 0.000 2.209 125 E HA -0.240 4.110 4.350 0.000 0.000 0.196 125 E C 1.209 177.760 176.600 -0.081 0.000 0.993 125 E CA 1.587 57.950 56.400 -0.062 0.000 0.819 125 E CB -0.561 29.246 29.700 0.179 0.000 0.745 125 E HN 0.788 nan 8.360 nan 0.000 0.477 126 F N 1.822 121.542 119.950 -0.384 0.000 2.661 126 F HA 0.213 4.740 4.527 0.000 0.000 0.298 126 F C 0.687 176.469 175.800 -0.030 0.000 1.137 126 F CA -0.082 57.478 58.000 -0.734 0.000 1.454 126 F CB -0.547 37.391 39.000 -1.771 0.000 1.103 126 F HN -0.189 nan 8.300 nan 0.000 0.577 127 D N 1.325 121.723 120.400 -0.003 0.000 2.558 127 D HA 0.205 4.845 4.640 0.000 0.000 0.221 127 D C -1.272 175.123 176.300 0.159 0.000 1.143 127 D CA 0.101 54.205 54.000 0.173 0.000 1.010 127 D CB -0.425 40.402 40.800 0.046 0.000 1.068 127 D HN 0.460 nan 8.370 nan 0.000 0.511 128 D N 0.472 121.039 120.400 0.278 0.000 2.654 128 D HA 0.181 4.822 4.640 0.000 0.000 0.231 128 D C -0.557 175.861 176.300 0.196 0.000 1.239 128 D CA -0.887 53.239 54.000 0.209 0.000 0.790 128 D CB 1.123 42.068 40.800 0.241 0.000 1.480 128 D HN 0.162 nan 8.370 nan 0.000 0.442 132 N N 1.362 120.245 118.700 0.305 0.000 2.716 132 N HA -0.262 4.478 4.740 0.000 0.000 0.250 132 N C -0.792 174.934 175.510 0.360 0.000 1.033 132 N CA 1.331 54.538 53.050 0.263 0.000 0.727 132 N CB -1.289 37.335 38.487 0.229 0.000 0.950 132 N HN 0.469 nan 8.380 nan 0.000 0.541 133 F N 0.212 120.276 119.950 0.191 0.000 2.608 133 F HA 0.439 4.966 4.527 0.000 0.000 0.309 133 F C -0.891 175.003 175.800 0.157 0.000 1.103 133 F CA -0.843 57.258 58.000 0.168 0.000 0.954 133 F CB 1.424 40.528 39.000 0.172 0.000 1.267 133 F HN -0.189 nan 8.300 nan 0.000 0.444 134 K N 4.735 124.733 120.400 -0.670 0.000 2.207 134 K HA 0.354 4.674 4.320 0.000 0.000 0.255 134 K C -1.029 175.202 176.600 -0.616 0.000 0.941 134 K CA -1.245 54.794 56.287 -0.412 0.000 0.825 134 K CB 1.988 34.335 32.500 -0.255 0.000 1.119 134 K HN 0.639 nan 8.250 nan 0.000 0.430 135 K N 1.396 121.737 120.400 -0.099 0.000 2.524 135 K HA -0.069 4.251 4.320 0.000 0.000 0.279 135 K C -0.358 176.269 176.600 0.044 0.000 0.993 135 K CA 0.237 56.623 56.287 0.164 0.000 1.030 135 K CB 0.115 32.766 32.500 0.253 0.000 0.891 135 K HN 0.538 nan 8.250 nan 0.000 0.488 136 N N 2.910 121.729 118.700 0.198 0.000 3.029 136 N HA 0.156 4.896 4.740 0.000 0.000 0.198 136 N C -2.883 172.651 175.510 0.039 0.000 1.444 136 N CA -1.350 51.733 53.050 0.055 0.000 0.784 136 N CB 0.893 39.363 38.487 -0.028 0.000 1.539 136 N HN 0.439 nan 8.380 nan 0.000 0.582 137 P HA 0.098 nan 4.420 nan 0.000 0.264 137 P C -2.039 175.217 177.300 -0.073 0.000 1.179 137 P CA -0.476 62.254 63.100 -0.617 0.000 0.763 137 P CB 0.644 31.824 31.700 -0.866 0.000 0.806 138 P HA 0.138 nan 4.420 nan 0.000 0.262 138 P C 0.304 177.727 177.300 0.204 0.000 1.304 138 P CA 0.145 63.313 63.100 0.113 0.000 0.859 138 P CB 0.427 32.102 31.700 -0.042 0.000 1.310 139 L N 0.918 122.262 121.223 0.200 0.000 2.439 139 L HA 0.305 4.645 4.340 0.000 0.000 0.269 139 L C 0.830 177.840 176.870 0.233 0.000 1.179 139 L CA -0.603 54.367 54.840 0.217 0.000 0.828 139 L CB 0.854 43.065 42.059 0.253 0.000 1.106 139 L HN -0.159 nan 8.230 nan 0.000 0.467 140 V N -0.130 119.686 119.914 -0.163 0.000 3.102 140 V HA 0.612 4.732 4.120 0.000 0.000 0.312 140 V C -2.690 172.898 176.094 -0.843 0.000 1.135 140 V CA -2.794 59.017 62.300 -0.816 0.000 1.022 140 V CB 1.576 33.032 31.823 -0.611 0.000 1.056 140 V HN 0.491 nan 8.190 nan 0.000 0.436 141 P HA 0.116 nan 4.420 nan 0.000 0.264 141 P C -0.331 177.008 177.300 0.065 0.000 1.183 141 P CA 0.401 63.178 63.100 -0.538 0.000 0.763 141 P CB 0.267 31.765 31.700 -0.335 0.000 0.807 142 F N 4.123 124.128 119.950 0.092 0.000 2.202 142 F HA 0.141 4.668 4.527 0.000 0.000 0.279 142 F C 2.201 178.123 175.800 0.202 0.000 1.077 142 F CA 1.425 59.573 58.000 0.246 0.000 1.193 142 F CB -0.895 38.222 39.000 0.195 0.000 1.090 142 F HN 0.300 nan 8.300 nan 0.000 0.516 143 A N 0.095 123.043 122.820 0.214 0.000 1.978 143 A HA -0.187 4.133 4.320 0.000 0.000 0.220 143 A C 1.787 179.398 177.584 0.044 0.000 1.170 143 A CA 2.073 54.164 52.037 0.091 0.000 0.636 143 A CB -0.807 18.334 19.000 0.234 0.000 0.810 143 A HN 0.540 nan 8.150 nan 0.000 0.448 144 E N 0.221 120.520 120.200 0.164 0.000 2.435 144 E HA 0.022 4.372 4.350 0.000 0.000 0.195 144 E C 0.723 177.441 176.600 0.197 0.000 1.029 144 E CA -0.172 56.394 56.400 0.278 0.000 0.865 144 E CB -0.162 29.845 29.700 0.512 0.000 0.833 144 E HN 0.532 nan 8.360 nan 0.000 0.510 145 N N 1.775 120.512 118.700 0.061 0.000 2.416 145 N HA -0.028 4.712 4.740 0.000 0.000 0.246 145 N C -0.501 174.791 175.510 -0.362 0.000 1.260 145 N CA 0.384 53.350 53.050 -0.140 0.000 0.897 145 N CB 0.532 38.913 38.487 -0.176 0.000 1.110 145 N HN -0.004 nan 8.380 nan 0.000 0.439 146 E N 0.166 120.087 120.200 -0.465 0.000 2.195 146 E HA 0.485 4.836 4.350 0.000 0.000 0.271 146 E C -0.971 175.320 176.600 -0.515 0.000 0.923 146 E CA -0.907 55.197 56.400 -0.493 0.000 0.790 146 E CB 1.913 31.525 29.700 -0.146 0.000 1.155 146 E HN 0.179 nan 8.360 nan 0.000 0.402 147 V N 1.553 120.987 119.914 -0.799 0.000 2.444 147 V HA 0.554 4.674 4.120 0.000 0.000 0.294 147 V C 0.101 175.673 176.094 -0.870 0.000 1.022 147 V CA -0.825 60.998 62.300 -0.795 0.000 0.850 147 V CB 1.790 33.085 31.823 -0.879 0.000 0.992 147 V HN 0.785 nan 8.190 nan 0.000 0.426 148 G N 2.355 110.829 108.800 -0.543 0.000 2.468 148 G HA2 0.508 4.468 3.960 0.000 0.000 0.315 148 G HA3 0.508 4.468 3.960 0.000 0.000 0.315 148 G C -0.279 174.385 174.900 -0.393 0.000 1.203 148 G CA -0.296 44.391 45.100 -0.687 0.000 0.962 148 G HN 0.610 nan 8.290 nan 0.000 0.476 149 S N 1.709 116.895 115.700 -0.857 0.000 2.422 149 S HA 0.427 4.897 4.470 0.000 0.000 0.298 149 S C -0.849 173.646 174.600 -0.175 0.000 1.118 149 S CA -0.269 57.547 58.200 -0.641 0.000 1.083 149 S CB 0.419 62.787 63.200 -1.387 0.000 0.971 149 S HN 0.522 nan 8.310 nan 0.000 0.478 150 Y N 1.949 122.461 120.300 0.353 0.000 2.387 150 Y HA 0.678 5.228 4.550 0.001 0.000 0.336 150 Y C 0.598 177.015 175.900 0.862 0.000 1.067 150 Y CA -0.855 57.614 58.100 0.615 0.000 1.114 150 Y CB 1.396 40.083 38.460 0.379 0.000 1.208 150 Y HN 0.485 nan 8.280 nan 0.000 0.458 151 R N 2.618 123.727 120.500 1.016 0.000 2.579 151 R HA 0.537 4.877 4.340 0.000 0.000 0.260 151 R C -1.754 174.745 176.300 0.331 0.000 1.103 151 R CA -0.887 55.612 56.100 0.665 0.000 0.942 151 R CB 1.820 32.389 30.300 0.449 0.000 1.251 151 R HN 0.973 nan 8.270 nan 0.000 0.450 152 R N 0.470 120.941 120.500 -0.048 0.000 2.710 152 R HA 0.449 4.789 4.340 0.000 0.000 0.270 152 R C -1.398 174.810 176.300 -0.153 0.000 1.021 152 R CA -0.869 55.066 56.100 -0.275 0.000 0.889 152 R CB 1.973 31.753 30.300 -0.868 0.000 1.243 152 R HN 0.421 nan 8.270 nan 0.000 0.464 153 T N 0.902 115.392 114.554 -0.106 0.000 2.934 153 T HA 0.765 5.115 4.350 0.000 0.000 0.283 153 T C -0.957 173.767 174.700 0.040 0.000 1.005 153 T CA -0.481 61.578 62.100 -0.068 0.000 1.041 153 T CB 0.587 69.393 68.868 -0.104 0.000 1.042 153 T HN 0.516 nan 8.240 nan 0.000 0.505 154 F N -0.424 119.447 119.950 -0.131 0.000 2.741 154 F HA 0.736 5.264 4.527 0.000 0.000 0.311 154 F C -1.660 174.085 175.800 -0.091 0.000 1.149 154 F CA -1.321 56.607 58.000 -0.120 0.000 0.930 154 F CB 1.198 40.122 39.000 -0.128 0.000 1.312 154 F HN 0.468 nan 8.300 nan 0.000 0.450 155 K N 1.956 122.383 120.400 0.044 0.000 2.378 155 K HA 0.688 5.008 4.320 0.000 0.000 0.252 155 K C -1.460 175.152 176.600 0.020 0.000 0.931 155 K CA -1.212 55.038 56.287 -0.061 0.000 0.794 155 K CB 2.985 35.439 32.500 -0.076 0.000 1.181 155 K HN 0.547 nan 8.250 nan 0.000 0.425 156 V N 3.506 123.412 119.914 -0.013 0.000 2.583 156 V HA 0.161 4.281 4.120 0.000 0.000 0.287 156 V C -2.006 173.953 176.094 -0.226 0.000 1.051 156 V CA -1.625 60.625 62.300 -0.084 0.000 1.010 156 V CB 0.506 32.386 31.823 0.094 0.000 0.988 156 V HN 0.664 nan 8.190 nan 0.000 0.478 157 P HA 0.143 nan 4.420 nan 0.000 0.267 157 P C 0.626 177.833 177.300 -0.154 0.000 1.200 157 P CA 0.024 62.871 63.100 -0.422 0.000 0.772 157 P CB 0.661 31.898 31.700 -0.772 0.000 0.855 158 A N 2.432 125.218 122.820 -0.056 0.000 1.972 158 A HA -0.188 4.132 4.320 0.000 0.000 0.219 158 A C 1.577 179.229 177.584 0.114 0.000 1.169 158 A CA 1.651 53.707 52.037 0.031 0.000 0.635 158 A CB -0.966 18.047 19.000 0.023 0.000 0.810 158 A HN 0.555 nan 8.150 nan 0.000 0.446 159 D N -1.325 119.163 120.400 0.147 0.000 2.310 159 D HA -0.136 4.504 4.640 0.000 0.000 0.212 159 D C 0.824 177.409 176.300 0.475 0.000 0.965 159 D CA 0.659 54.824 54.000 0.275 0.000 0.879 159 D CB -0.246 40.721 40.800 0.278 0.000 0.921 159 D HN 0.728 nan 8.370 nan 0.000 0.510 160 W N 1.646 123.026 121.300 0.133 0.000 3.180 160 W HA 0.101 4.761 4.660 0.000 0.000 0.254 160 W C 0.805 177.388 176.519 0.107 0.000 1.318 160 W CA -0.999 56.434 57.345 0.146 0.000 1.608 160 W CB -0.700 28.847 29.460 0.145 0.000 1.124 160 W HN -0.216 nan 8.180 nan 0.000 0.694 161 K N 1.039 121.615 120.400 0.293 0.000 2.437 161 K HA 0.234 4.554 4.320 0.000 0.000 0.277 161 K C 1.339 178.029 176.600 0.150 0.000 1.073 161 K CA 1.566 57.964 56.287 0.184 0.000 1.105 161 K CB -0.096 32.487 32.500 0.138 0.000 0.881 161 K HN 0.224 nan 8.250 nan 0.000 0.475 162 G N 3.467 112.341 108.800 0.124 0.000 2.205 162 G HA2 -0.331 3.630 3.960 0.000 0.000 0.261 162 G HA3 -0.331 3.630 3.960 0.000 0.000 0.261 162 G C 0.133 175.078 174.900 0.075 0.000 0.980 162 G CA 0.484 45.639 45.100 0.090 0.000 0.632 162 G HN 0.651 nan 8.290 nan 0.000 0.533 163 R N 0.016 120.566 120.500 0.084 0.000 2.583 163 R HA 0.585 4.925 4.340 0.000 0.000 0.268 163 R C 0.833 177.128 176.300 -0.009 0.000 1.101 163 R CA -0.549 55.562 56.100 0.017 0.000 1.180 163 R CB 0.589 30.867 30.300 -0.037 0.000 1.128 163 R HN 0.327 nan 8.270 nan 0.000 0.568 164 R N 0.829 121.285 120.500 -0.074 0.000 2.390 164 R HA 0.267 4.607 4.340 0.000 0.000 0.291 164 R C -1.190 174.999 176.300 -0.184 0.000 1.070 164 R CA -0.275 55.759 56.100 -0.109 0.000 1.014 164 R CB 0.803 31.006 30.300 -0.161 0.000 1.007 164 R HN 0.297 nan 8.270 nan 0.000 0.466 165 V N 5.177 125.010 119.914 -0.135 0.000 2.588 165 V HA 0.386 4.506 4.120 0.000 0.000 0.304 165 V C -0.643 175.329 176.094 -0.204 0.000 1.042 165 V CA -0.815 61.394 62.300 -0.153 0.000 0.877 165 V CB 1.932 33.808 31.823 0.089 0.000 0.996 165 V HN 0.562 nan 8.190 nan 0.000 0.425 166 V N 5.431 125.097 119.914 -0.413 0.000 2.495 166 V HA 0.478 4.599 4.120 0.000 0.000 0.298 166 V C -0.460 175.470 176.094 -0.273 0.000 1.031 166 V CA -0.687 61.340 62.300 -0.454 0.000 0.871 166 V CB 1.875 33.130 31.823 -0.947 0.000 0.988 166 V HN 0.699 nan 8.190 nan 0.000 0.432 167 L N 5.815 127.010 121.223 -0.047 0.000 2.265 167 L HA 0.611 4.951 4.340 0.000 0.000 0.288 167 L C -0.367 176.552 176.870 0.081 0.000 1.058 167 L CA 0.245 55.116 54.840 0.052 0.000 0.809 167 L CB 0.850 43.000 42.059 0.152 0.000 1.179 167 L HN 0.838 nan 8.230 nan 0.000 0.429 168 C N 6.075 125.343 119.300 -0.054 0.000 2.319 168 C HA 0.619 5.079 4.460 0.000 0.000 0.323 168 C C -0.244 174.641 174.990 -0.176 0.000 1.277 168 C CA -0.717 58.218 59.018 -0.138 0.000 1.517 168 C CB -0.513 27.031 27.740 -0.326 0.000 2.206 168 C HN 0.938 nan 8.230 nan 0.000 0.486 169 C N 6.961 126.282 119.300 0.034 0.000 2.258 169 C HA 0.343 4.803 4.460 0.000 0.000 0.321 169 C C 1.515 176.545 174.990 0.066 0.000 1.168 169 C CA -0.453 58.593 59.018 0.047 0.000 1.531 169 C CB 0.163 27.983 27.740 0.134 0.000 2.095 169 C HN 0.909 nan 8.230 nan 0.000 0.449 170 E N 1.492 121.734 120.200 0.070 0.000 2.204 170 E HA -0.010 4.340 4.350 0.000 0.000 0.195 170 E C 1.084 177.759 176.600 0.124 0.000 0.990 170 E CA 0.814 57.299 56.400 0.142 0.000 0.821 170 E CB 0.244 30.059 29.700 0.191 0.000 0.750 170 E HN 0.946 nan 8.360 nan 0.000 0.477 171 G N -0.352 108.494 108.800 0.077 0.000 2.524 171 G HA2 0.366 4.326 3.960 0.000 0.000 0.306 171 G HA3 0.366 4.326 3.960 0.000 0.000 0.306 171 G C -1.411 173.476 174.900 -0.023 0.000 1.420 171 G CA -0.616 44.520 45.100 0.061 0.000 1.086 171 G HN -0.041 nan 8.290 nan 0.000 0.591 172 V N 3.468 123.380 119.914 -0.003 0.000 2.623 172 V HA 0.541 4.661 4.120 0.000 0.000 0.304 172 V C 0.030 176.149 176.094 0.041 0.000 1.054 172 V CA -0.808 61.435 62.300 -0.095 0.000 0.882 172 V CB 1.785 33.394 31.823 -0.357 0.000 1.002 172 V HN 0.905 nan 8.190 nan 0.000 0.424 173 I N 3.745 124.308 120.570 -0.011 0.000 2.472 173 I HA 0.581 4.751 4.170 0.000 0.000 0.290 173 I C 1.021 177.190 176.117 0.086 0.000 1.016 173 I CA 1.355 62.677 61.300 0.037 0.000 1.348 173 I CB 1.226 39.221 38.000 -0.007 0.000 1.417 173 I HN 0.917 nan 8.210 nan 0.000 0.521 174 S N 4.132 119.928 115.700 0.160 0.000 4.152 174 S HA -0.302 4.168 4.470 0.000 0.000 0.623 174 S C -0.385 174.410 174.600 0.326 0.000 1.876 174 S CA 1.167 59.509 58.200 0.237 0.000 4.243 174 S CB -1.120 62.208 63.200 0.214 0.000 0.203 174 S HN 0.778 nan 8.310 nan 0.000 0.468 175 F N 2.750 122.807 119.950 0.178 0.000 2.561 175 F HA 0.739 5.267 4.527 0.000 0.000 0.321 175 F C -0.696 175.270 175.800 0.278 0.000 1.065 175 F CA -0.163 57.925 58.000 0.146 0.000 0.934 175 F CB 1.834 40.848 39.000 0.023 0.000 1.215 175 F HN 0.705 nan 8.300 nan 0.000 0.471 176 Y N 1.862 121.704 120.300 -0.762 0.000 2.565 176 Y HA 0.564 5.114 4.550 0.000 0.000 0.330 176 Y C -2.421 173.089 175.900 -0.650 0.000 1.150 176 Y CA -1.880 56.017 58.100 -0.338 0.000 1.055 176 Y CB 0.344 38.789 38.460 -0.024 0.000 1.337 176 Y HN 0.584 nan 8.280 nan 0.000 0.457 177 Y N 2.144 122.444 120.300 0.001 0.000 2.419 177 Y HA 0.697 5.247 4.550 0.000 0.000 0.328 177 Y C -0.426 175.283 175.900 -0.319 0.000 1.162 177 Y CA -1.088 56.806 58.100 -0.344 0.000 1.174 177 Y CB 2.175 40.337 38.460 -0.497 0.000 1.228 177 Y HN 0.703 nan 8.280 nan 0.000 0.473 178 V N 3.351 122.960 119.914 -0.508 0.000 2.760 178 V HA 0.535 4.655 4.120 0.000 0.000 0.309 178 V C -1.848 173.979 176.094 -0.445 0.000 1.077 178 V CA -0.695 61.442 62.300 -0.272 0.000 0.910 178 V CB 1.296 32.924 31.823 -0.325 0.000 1.008 178 V HN 0.802 nan 8.190 nan 0.000 0.424 179 W N 4.382 125.632 121.300 -0.083 0.000 2.950 179 W HA 0.754 5.415 4.660 0.001 0.000 0.340 179 W C -1.335 175.176 176.519 -0.013 0.000 1.139 179 W CA -0.827 56.459 57.345 -0.099 0.000 1.188 179 W CB 2.314 31.706 29.460 -0.113 0.000 1.426 179 W HN 0.406 nan 8.180 nan 0.000 0.531 180 V N 2.892 122.948 119.914 0.237 0.000 2.525 180 V HA 0.158 4.278 4.120 0.000 0.000 0.299 180 V C 0.036 176.225 176.094 0.158 0.000 1.034 180 V CA -0.925 61.498 62.300 0.206 0.000 0.863 180 V CB 1.436 33.371 31.823 0.187 0.000 0.999 180 V HN 0.698 nan 8.190 nan 0.000 0.423 181 N N 4.040 122.806 118.700 0.110 0.000 2.725 181 N HA -0.214 4.526 4.740 0.000 0.000 0.251 181 N C 1.215 176.773 175.510 0.081 0.000 1.031 181 N CA 1.578 54.658 53.050 0.049 0.000 0.720 181 N CB -0.996 37.504 38.487 0.022 0.000 0.930 181 N HN 1.563 nan 8.380 nan 0.000 0.543 182 G N -1.393 107.482 108.800 0.125 0.000 2.184 182 G HA2 -0.373 3.587 3.960 0.000 0.000 0.264 182 G HA3 -0.373 3.587 3.960 0.000 0.000 0.264 182 G C 0.038 175.116 174.900 0.296 0.000 0.975 182 G CA 0.970 46.196 45.100 0.210 0.000 0.642 182 G HN 0.533 nan 8.290 nan 0.000 0.536 183 K N 0.091 120.639 120.400 0.245 0.000 2.213 183 K HA 0.563 4.883 4.320 0.000 0.000 0.270 183 K C -0.120 176.594 176.600 0.190 0.000 1.002 183 K CA -1.017 55.391 56.287 0.201 0.000 0.868 183 K CB 1.997 34.561 32.500 0.107 0.000 1.093 183 K HN 0.111 nan 8.250 nan 0.000 0.454 184 L N 5.248 126.531 121.223 0.100 0.000 2.500 184 L HA 0.019 4.359 4.340 0.000 0.000 0.272 184 L C 0.534 177.224 176.870 -0.299 0.000 1.149 184 L CA 0.580 55.214 54.840 -0.344 0.000 0.897 184 L CB 0.062 41.901 42.059 -0.366 0.000 1.178 184 L HN 0.733 nan 8.230 nan 0.000 0.473 185 L N 4.878 125.831 121.223 -0.451 0.000 2.127 185 L HA 0.378 4.718 4.340 0.000 0.000 0.203 185 L C 1.275 177.871 176.870 -0.457 0.000 1.080 185 L CA 0.623 55.179 54.840 -0.474 0.000 0.768 185 L CB -0.724 40.840 42.059 -0.824 0.000 0.924 185 L HN 0.878 nan 8.230 nan 0.000 0.444 186 G N -1.637 106.822 108.800 -0.569 0.000 2.404 186 G HA2 0.224 4.184 3.960 0.000 0.000 0.253 186 G HA3 0.224 4.184 3.960 0.000 0.000 0.253 186 G C -2.010 172.671 174.900 -0.366 0.000 1.253 186 G CA -0.156 44.725 45.100 -0.366 0.000 0.917 186 G HN 0.041 nan 8.290 nan 0.000 0.480 187 Y N -1.125 119.086 120.300 -0.149 0.000 2.689 187 Y HA 0.864 5.414 4.550 0.000 0.000 0.333 187 Y C -0.729 174.904 175.900 -0.445 0.000 1.190 187 Y CA -1.381 56.395 58.100 -0.540 0.000 1.063 187 Y CB 1.523 39.583 38.460 -0.666 0.000 1.294 187 Y HN 0.951 nan 8.280 nan 0.000 0.466 188 N N -0.479 117.820 118.700 -0.669 0.000 2.405 188 N HA 0.448 5.189 4.740 0.000 0.000 0.274 188 N C -2.254 173.090 175.510 -0.277 0.000 1.170 188 N CA -0.572 52.240 53.050 -0.398 0.000 0.848 188 N CB 2.389 40.623 38.487 -0.421 0.000 1.629 188 N HN 0.754 nan 8.380 nan 0.000 0.481 189 Q N 0.934 120.742 119.800 0.013 0.000 2.347 189 Q HA 0.635 4.975 4.340 0.000 0.000 0.271 189 Q C -1.265 174.799 176.000 0.106 0.000 1.064 189 Q CA -0.903 54.992 55.803 0.152 0.000 0.800 189 Q CB 2.243 31.121 28.738 0.232 0.000 1.304 189 Q HN 0.946 nan 8.270 nan 0.000 0.438 190 G N 0.837 109.721 108.800 0.139 0.000 2.992 190 G HA2 -0.151 3.809 3.960 0.000 0.000 0.677 190 G HA3 -0.151 3.809 3.960 0.000 0.000 0.677 190 G C 0.111 175.088 174.900 0.128 0.000 1.191 190 G CA -0.061 45.110 45.100 0.118 0.000 1.178 190 G HN 0.606 nan 8.290 nan 0.000 0.506 191 S N 0.290 116.071 115.700 0.136 0.000 2.575 191 S HA 0.215 4.685 4.470 0.000 0.000 0.215 191 S C 1.317 175.965 174.600 0.081 0.000 0.966 191 S CA 0.537 58.806 58.200 0.115 0.000 0.911 191 S CB 0.293 63.552 63.200 0.098 0.000 0.780 191 S HN 0.443 nan 8.310 nan 0.000 0.514 192 K N 1.903 122.364 120.400 0.102 0.000 2.413 192 K HA 0.216 4.536 4.320 0.000 0.000 0.204 192 K C 0.157 176.861 176.600 0.173 0.000 1.041 192 K CA 0.281 56.639 56.287 0.118 0.000 1.082 192 K CB 1.057 33.643 32.500 0.144 0.000 0.871 192 K HN 0.645 nan 8.250 nan 0.000 0.535 193 T N -2.318 112.318 114.554 0.137 0.000 2.906 193 T HA 0.709 5.059 4.350 0.000 0.000 0.295 193 T C -0.175 174.574 174.700 0.081 0.000 1.061 193 T CA -0.964 61.208 62.100 0.120 0.000 1.000 193 T CB 2.299 71.209 68.868 0.070 0.000 1.103 193 T HN 0.046 nan 8.240 nan 0.000 0.486 194 A N 1.157 124.019 122.820 0.071 0.000 2.425 194 A HA 0.705 5.025 4.320 0.000 0.000 0.242 194 A C 0.546 178.089 177.584 -0.070 0.000 1.077 194 A CA -0.295 51.770 52.037 0.045 0.000 0.781 194 A CB -0.464 18.601 19.000 0.108 0.000 1.020 194 A HN 1.602 nan 8.150 nan 0.000 0.494 195 A N 1.964 124.745 122.820 -0.065 0.000 2.343 195 A HA 0.672 4.992 4.320 0.000 0.000 0.316 195 A C -0.358 176.993 177.584 -0.388 0.000 1.104 195 A CA -0.534 51.318 52.037 -0.309 0.000 0.768 195 A CB 0.803 19.679 19.000 -0.207 0.000 1.213 195 A HN 0.843 nan 8.150 nan 0.000 0.456 196 E N 1.412 121.232 120.200 -0.633 0.000 2.288 196 E HA 0.512 4.862 4.350 0.000 0.000 0.268 196 E C -1.608 174.643 176.600 -0.583 0.000 0.885 196 E CA -0.532 55.652 56.400 -0.360 0.000 0.767 196 E CB 2.130 31.777 29.700 -0.088 0.000 1.220 196 E HN 0.712 nan 8.360 nan 0.000 0.427 197 W N 1.517 122.789 121.300 -0.046 0.000 3.129 197 W HA 0.161 4.821 4.660 0.001 0.000 0.333 197 W C -0.766 175.702 176.519 -0.085 0.000 1.141 197 W CA -0.660 56.650 57.345 -0.060 0.000 1.224 197 W CB 1.875 31.308 29.460 -0.046 0.000 1.393 197 W HN 0.499 nan 8.180 nan 0.000 0.499 198 D N 3.687 124.159 120.400 0.121 0.000 2.336 198 D HA 0.160 4.800 4.640 0.000 0.000 0.249 198 D C 0.772 177.117 176.300 0.075 0.000 1.213 198 D CA -0.039 53.972 54.000 0.019 0.000 0.870 198 D CB 0.771 41.563 40.800 -0.012 0.000 1.076 198 D HN 0.407 nan 8.370 nan 0.000 0.483 199 I N 0.809 121.418 120.570 0.064 0.000 3.941 199 I HA 0.096 4.267 4.170 0.000 0.000 0.335 199 I C 1.235 177.403 176.117 0.084 0.000 1.402 199 I CA -0.526 60.829 61.300 0.091 0.000 1.112 199 I CB 0.151 38.227 38.000 0.128 0.000 1.043 199 I HN 0.043 nan 8.210 nan 0.000 0.395 200 T N 1.670 116.256 114.554 0.054 0.000 2.597 200 T HA -0.209 4.141 4.350 0.000 0.000 0.267 200 T C 1.222 175.960 174.700 0.065 0.000 1.053 200 T CA 2.434 64.568 62.100 0.056 0.000 1.165 200 T CB -0.386 68.499 68.868 0.027 0.000 0.863 200 T HN 0.494 nan 8.240 nan 0.000 0.427 201 D N 0.421 120.854 120.400 0.055 0.000 2.378 201 D HA 0.044 4.684 4.640 0.000 0.000 0.227 201 D C 1.563 177.895 176.300 0.054 0.000 1.012 201 D CA 0.258 54.289 54.000 0.051 0.000 0.905 201 D CB 0.032 40.858 40.800 0.044 0.000 0.895 201 D HN 0.274 nan 8.370 nan 0.000 0.532 202 V N 0.242 120.195 119.914 0.065 0.000 3.621 202 V HA 0.088 4.208 4.120 0.000 0.000 0.263 202 V C 1.156 177.291 176.094 0.069 0.000 1.272 202 V CA 0.008 62.348 62.300 0.066 0.000 1.080 202 V CB 0.491 32.358 31.823 0.074 0.000 0.816 202 V HN 0.092 nan 8.190 nan 0.000 0.451 203 L N 1.380 122.653 121.223 0.083 0.000 2.467 203 L HA 0.288 4.628 4.340 0.000 0.000 0.270 203 L C 0.584 177.476 176.870 0.037 0.000 1.205 203 L CA 0.583 55.471 54.840 0.079 0.000 0.828 203 L CB 0.941 43.076 42.059 0.128 0.000 1.101 203 L HN 0.419 nan 8.230 nan 0.000 0.479 204 S N 0.209 115.907 115.700 -0.004 0.000 2.667 204 S HA 0.366 4.837 4.470 0.000 0.000 0.292 204 S C -0.779 173.804 174.600 -0.028 0.000 1.126 204 S CA -1.016 57.173 58.200 -0.017 0.000 0.881 204 S CB 1.864 65.039 63.200 -0.040 0.000 1.132 204 S HN 0.611 nan 8.310 nan 0.000 0.492 205 E N 0.312 120.500 120.200 -0.020 0.000 2.316 205 E HA 0.476 4.826 4.350 0.000 0.000 0.275 205 E C 0.882 177.453 176.600 -0.050 0.000 1.029 205 E CA 0.728 57.115 56.400 -0.020 0.000 0.871 205 E CB -0.151 29.545 29.700 -0.007 0.000 1.022 205 E HN 1.229 nan 8.360 nan 0.000 0.418 206 G N 4.111 112.874 108.800 -0.061 0.000 2.481 206 G HA2 -0.315 3.645 3.960 0.000 0.000 0.230 206 G HA3 -0.315 3.645 3.960 0.000 0.000 0.230 206 G C -0.345 174.469 174.900 -0.142 0.000 1.210 206 G CA -0.040 45.009 45.100 -0.084 0.000 0.936 206 G HN 0.724 nan 8.290 nan 0.000 0.583 207 E N 1.225 121.335 120.200 -0.150 0.000 2.351 207 E HA 0.295 4.646 4.350 0.000 0.000 0.266 207 E C 0.134 176.551 176.600 -0.305 0.000 1.031 207 E CA -0.117 56.154 56.400 -0.214 0.000 0.911 207 E CB -0.022 29.586 29.700 -0.153 0.000 0.986 207 E HN 0.429 nan 8.360 nan 0.000 0.446 208 N N 2.691 121.055 118.700 -0.559 0.000 2.404 208 N HA 0.410 5.150 4.740 0.000 0.000 0.297 208 N C -1.333 173.776 175.510 -0.669 0.000 1.163 208 N CA -0.581 52.027 53.050 -0.737 0.000 0.864 208 N CB 2.069 39.787 38.487 -1.281 0.000 1.247 208 N HN 0.164 nan 8.380 nan 0.000 0.510 209 V N 1.029 120.754 119.914 -0.315 0.000 2.588 209 V HA 0.429 4.549 4.120 0.000 0.000 0.304 209 V C -0.460 175.748 176.094 0.189 0.000 1.042 209 V CA -0.809 61.459 62.300 -0.053 0.000 0.877 209 V CB 2.110 33.900 31.823 -0.056 0.000 0.996 209 V HN 0.374 nan 8.190 nan 0.000 0.425 210 V N 4.032 124.119 119.914 0.287 0.000 2.588 210 V HA 0.971 5.091 4.120 0.000 0.000 0.304 210 V C -0.289 176.013 176.094 0.347 0.000 1.042 210 V CA -0.024 62.474 62.300 0.331 0.000 0.877 210 V CB 1.711 33.726 31.823 0.320 0.000 0.996 210 V HN 1.221 nan 8.190 nan 0.000 0.425 211 A N 7.303 130.367 122.820 0.407 0.000 2.422 211 A HA 0.900 5.221 4.320 0.000 0.000 0.302 211 A C -1.554 176.443 177.584 0.687 0.000 1.041 211 A CA -0.649 51.698 52.037 0.517 0.000 0.708 211 A CB 1.623 20.667 19.000 0.073 0.000 1.257 211 A HN 0.872 nan 8.150 nan 0.000 0.414 212 L N 1.405 123.100 121.223 0.787 0.000 2.385 212 L HA 0.550 4.890 4.340 0.000 0.000 0.273 212 L C -0.154 177.247 176.870 0.885 0.000 0.990 212 L CA -0.405 54.841 54.840 0.676 0.000 0.821 212 L CB 2.082 44.263 42.059 0.204 0.000 1.279 212 L HN 0.914 nan 8.230 nan 0.000 0.412 213 E N 3.024 123.805 120.200 0.969 0.000 2.063 213 E HA 0.401 4.751 4.350 0.000 0.000 0.265 213 E C -1.335 175.625 176.600 0.600 0.000 0.919 213 E CA -0.535 56.349 56.400 0.808 0.000 0.756 213 E CB 1.461 31.833 29.700 1.119 0.000 1.120 213 E HN 0.368 nan 8.360 nan 0.000 0.414 214 V N 5.215 125.378 119.914 0.415 0.000 2.465 214 V HA 0.238 4.358 4.120 0.000 0.000 0.279 214 V C -0.563 175.640 176.094 0.181 0.000 1.045 214 V CA -0.435 62.113 62.300 0.413 0.000 0.938 214 V CB 0.480 32.591 31.823 0.480 0.000 0.986 214 V HN 0.557 nan 8.190 nan 0.000 0.467 215 Y N 3.274 123.677 120.300 0.172 0.000 2.341 215 Y HA 0.422 4.972 4.550 0.000 0.000 0.337 215 Y C 1.261 177.119 175.900 -0.070 0.000 1.014 215 Y CA -0.526 57.536 58.100 -0.062 0.000 1.111 215 Y CB 1.592 39.844 38.460 -0.347 0.000 1.194 215 Y HN 0.537 nan 8.280 nan 0.000 0.462 216 R N 2.398 122.839 120.500 -0.098 0.000 2.073 216 R HA -0.084 4.256 4.340 0.000 0.000 0.234 216 R C -0.378 175.751 176.300 -0.285 0.000 1.134 216 R CA 1.326 57.215 56.100 -0.351 0.000 0.952 216 R CB 0.168 30.041 30.300 -0.712 0.000 0.850 216 R HN 0.573 nan 8.270 nan 0.000 0.433 217 W N -0.093 121.201 121.300 -0.009 0.000 2.706 217 W HA 0.466 5.126 4.660 0.000 0.000 0.346 217 W C -0.296 176.212 176.519 -0.018 0.000 1.071 217 W CA -0.692 56.627 57.345 -0.044 0.000 1.206 217 W CB 1.350 30.671 29.460 -0.231 0.000 1.413 217 W HN 0.137 nan 8.180 nan 0.000 0.542 218 S N -1.126 114.743 115.700 0.281 0.000 2.636 218 S HA 0.279 4.749 4.470 0.000 0.000 0.266 218 S C 0.318 175.057 174.600 0.232 0.000 1.147 218 S CA -0.399 57.954 58.200 0.255 0.000 0.815 218 S CB 1.234 64.583 63.200 0.248 0.000 1.119 218 S HN 0.184 nan 8.310 nan 0.000 0.470 219 S N 0.670 116.500 115.700 0.215 0.000 2.374 219 S HA -0.027 4.443 4.470 0.000 0.000 0.227 219 S C 2.052 176.955 174.600 0.505 0.000 1.037 219 S CA 1.849 60.262 58.200 0.355 0.000 1.024 219 S CB -1.234 62.013 63.200 0.078 0.000 0.861 219 S HN 1.140 nan 8.310 nan 0.000 0.456 220 G N 1.184 110.192 108.800 0.348 0.000 2.499 220 G HA2 -0.097 3.863 3.960 0.000 0.000 0.221 220 G HA3 -0.097 3.863 3.960 0.000 0.000 0.221 220 G C 1.429 176.558 174.900 0.381 0.000 1.109 220 G CA 0.903 46.220 45.100 0.360 0.000 0.749 220 G HN 0.604 nan 8.290 nan 0.000 0.568 221 A N -0.101 122.937 122.820 0.363 0.000 2.019 221 A HA 0.049 4.369 4.320 0.000 0.000 0.219 221 A C 2.046 179.845 177.584 0.359 0.000 1.164 221 A CA 1.044 53.296 52.037 0.358 0.000 0.644 221 A CB -0.510 18.728 19.000 0.396 0.000 0.805 221 A HN 0.445 nan 8.150 nan 0.000 0.449 222 Y N -0.383 120.119 120.300 0.336 0.000 2.497 222 Y HA -0.007 4.543 4.550 0.000 0.000 0.292 222 Y C 1.618 177.667 175.900 0.248 0.000 1.137 222 Y CA 1.020 59.237 58.100 0.195 0.000 1.285 222 Y CB -0.024 38.364 38.460 -0.119 0.000 0.991 222 Y HN 0.201 nan 8.280 nan 0.000 0.556 223 L N -0.414 121.023 121.223 0.358 0.000 2.667 223 L HA 0.133 4.473 4.340 0.000 0.000 0.232 223 L C 0.056 177.078 176.870 0.253 0.000 1.138 223 L CA 0.385 55.364 54.840 0.231 0.000 0.921 223 L CB 0.156 42.303 42.059 0.146 0.000 1.180 223 L HN 0.112 nan 8.230 nan 0.000 0.487 224 E N -0.459 119.925 120.200 0.306 0.000 3.846 224 E HA 0.098 4.448 4.350 0.000 0.000 0.216 224 E C -0.258 176.504 176.600 0.270 0.000 1.092 224 E CA -0.140 56.434 56.400 0.290 0.000 1.370 224 E CB 0.798 30.666 29.700 0.280 0.000 1.227 224 E HN 0.147 nan 8.360 nan 0.000 0.442 225 C N 1.910 121.334 119.300 0.208 0.000 2.294 225 C HA 0.213 4.673 4.460 0.000 0.000 0.348 225 C C 0.506 175.543 174.990 0.079 0.000 1.355 225 C CA -0.309 58.728 59.018 0.032 0.000 1.774 225 C CB -1.496 26.095 27.740 -0.249 0.000 2.259 225 C HN 0.460 nan 8.230 nan 0.000 0.570 226 Q N 1.460 121.399 119.800 0.232 0.000 2.432 226 Q HA 0.196 4.536 4.340 0.000 0.000 0.264 226 Q C 0.411 176.583 176.000 0.286 0.000 1.035 226 Q CA 0.796 56.807 55.803 0.346 0.000 0.908 226 Q CB 0.522 29.629 28.738 0.615 0.000 1.280 226 Q HN 0.562 nan 8.270 nan 0.000 0.455 230 R N 3.786 124.598 120.500 0.519 0.000 2.215 230 R HA 0.621 4.961 4.340 0.000 0.000 0.337 230 R C -0.604 175.880 176.300 0.306 0.000 1.010 230 R CA -0.482 55.837 56.100 0.365 0.000 0.871 230 R CB 0.227 30.728 30.300 0.336 0.000 1.134 230 R HN 0.516 nan 8.270 nan 0.000 0.477 231 L N 0.047 121.378 121.223 0.181 0.000 2.293 231 L HA 0.640 4.980 4.340 0.000 0.000 0.264 231 L C 0.291 177.023 176.870 -0.229 0.000 1.029 231 L CA -0.897 53.935 54.840 -0.013 0.000 0.897 231 L CB 1.626 43.682 42.059 -0.005 0.000 1.497 231 L HN 0.420 nan 8.230 nan 0.000 0.495 232 S N -1.566 113.799 115.700 -0.558 0.000 2.651 232 S HA 0.896 5.366 4.470 0.000 0.000 0.279 232 S C -0.338 173.722 174.600 -0.901 0.000 1.148 232 S CA -0.147 57.488 58.200 -0.943 0.000 0.837 232 S CB 1.925 64.019 63.200 -1.844 0.000 1.138 232 S HN 1.195 nan 8.310 nan 0.000 0.478 233 G N 0.392 108.790 108.800 -0.671 0.000 2.610 233 G HA2 -0.096 3.865 3.960 0.000 0.000 0.304 233 G HA3 -0.096 3.865 3.960 0.000 0.000 0.304 233 G C -1.019 173.795 174.900 -0.144 0.000 1.309 233 G CA -0.808 44.233 45.100 -0.098 0.000 0.906 233 G HN 0.798 nan 8.290 nan 0.000 0.521 234 I N 1.634 122.065 120.570 -0.231 0.000 2.347 234 I HA 0.166 4.336 4.170 0.000 0.000 0.294 234 I C 1.421 177.414 176.117 -0.207 0.000 1.090 234 I CA 0.072 61.144 61.300 -0.381 0.000 1.314 234 I CB 0.788 38.349 38.000 -0.732 0.000 1.423 234 I HN 0.694 nan 8.210 nan 0.000 0.503 235 E N 5.610 125.731 120.200 -0.133 0.000 2.190 235 E HA 0.087 4.437 4.350 0.000 0.000 0.191 235 E C 0.446 177.045 176.600 -0.002 0.000 0.978 235 E CA 0.553 56.917 56.400 -0.060 0.000 0.839 235 E CB 0.444 30.122 29.700 -0.035 0.000 0.787 235 E HN 0.581 nan 8.360 nan 0.000 0.473 236 R N 0.810 121.322 120.500 0.020 0.000 2.930 236 R HA 0.218 4.558 4.340 0.000 0.000 0.257 236 R C -0.710 175.665 176.300 0.125 0.000 1.107 236 R CA -0.960 55.217 56.100 0.130 0.000 0.999 236 R CB 0.936 31.364 30.300 0.214 0.000 1.209 236 R HN -0.049 nan 8.270 nan 0.000 0.486 237 D N 0.887 121.442 120.400 0.258 0.000 2.515 237 D HA 0.019 4.659 4.640 0.000 0.000 0.232 237 D C -0.477 175.968 176.300 0.243 0.000 1.157 237 D CA 0.725 54.911 54.000 0.311 0.000 0.871 237 D CB 0.660 41.781 40.800 0.536 0.000 1.200 237 D HN -0.023 nan 8.370 nan 0.000 0.466 238 V N 2.745 122.802 119.914 0.238 0.000 2.531 238 V HA 0.478 4.598 4.120 0.000 0.000 0.301 238 V C -0.570 175.680 176.094 0.260 0.000 1.034 238 V CA -0.674 61.713 62.300 0.144 0.000 0.865 238 V CB 1.032 32.942 31.823 0.146 0.000 0.995 238 V HN 0.557 nan 8.190 nan 0.000 0.424 239 Y N 3.747 124.142 120.300 0.159 0.000 2.705 239 Y HA 0.897 5.447 4.550 0.000 0.000 0.332 239 Y C -1.864 174.061 175.900 0.042 0.000 1.221 239 Y CA -1.715 56.403 58.100 0.030 0.000 1.059 239 Y CB 1.230 39.623 38.460 -0.111 0.000 1.298 239 Y HN 0.361 nan 8.280 nan 0.000 0.459 240 L N 2.121 123.507 121.223 0.271 0.000 2.354 240 L HA 0.623 4.963 4.340 0.000 0.000 0.269 240 L C -1.067 176.092 176.870 0.482 0.000 1.005 240 L CA -1.224 53.797 54.840 0.301 0.000 0.819 240 L CB 1.653 43.903 42.059 0.318 0.000 1.311 240 L HN 0.791 nan 8.230 nan 0.000 0.423 241 Y N -0.418 120.022 120.300 0.232 0.000 2.534 241 Y HA 0.792 5.343 4.550 0.000 0.000 0.345 241 Y C -0.758 174.958 175.900 -0.307 0.000 1.031 241 Y CA -1.145 57.001 58.100 0.077 0.000 1.022 241 Y CB 1.804 40.470 38.460 0.343 0.000 1.292 241 Y HN 0.469 nan 8.280 nan 0.000 0.459 242 S N 2.050 117.470 115.700 -0.467 0.000 2.482 242 S HA 0.834 5.304 4.470 0.000 0.000 0.303 242 S C -0.680 173.709 174.600 -0.352 0.000 1.091 242 S CA 0.165 57.963 58.200 -0.669 0.000 1.057 242 S CB 0.948 63.247 63.200 -1.502 0.000 1.031 242 S HN 1.227 nan 8.310 nan 0.000 0.485 243 T N 2.088 116.471 114.554 -0.285 0.000 2.887 243 T HA 0.756 5.106 4.350 0.000 0.000 0.292 243 T C -3.112 171.495 174.700 -0.156 0.000 1.087 243 T CA -1.944 60.033 62.100 -0.205 0.000 1.009 243 T CB 1.574 70.375 68.868 -0.112 0.000 1.203 243 T HN 0.435 nan 8.240 nan 0.000 0.518 244 P HA 0.299 nan 4.420 nan 0.000 0.277 244 P C 0.430 177.782 177.300 0.086 0.000 1.276 244 P CA -0.479 62.618 63.100 -0.005 0.000 0.788 244 P CB 0.798 32.503 31.700 0.008 0.000 1.114 245 K N -0.756 119.697 120.400 0.089 0.000 2.147 245 K HA -0.114 4.206 4.320 0.000 0.000 0.205 245 K C 1.177 177.912 176.600 0.225 0.000 1.049 245 K CA 1.324 57.693 56.287 0.136 0.000 0.936 245 K CB -0.234 32.314 32.500 0.080 0.000 0.722 245 K HN 0.539 nan 8.250 nan 0.000 0.446 246 Q N -0.006 119.876 119.800 0.135 0.000 2.325 246 Q HA 0.262 4.602 4.340 0.000 0.000 0.262 246 Q C -1.330 174.709 176.000 0.065 0.000 0.968 246 Q CA -0.659 55.154 55.803 0.016 0.000 0.877 246 Q CB 0.894 29.615 28.738 -0.028 0.000 1.253 246 Q HN 0.095 nan 8.270 nan 0.000 0.448 247 Y N 0.959 121.253 120.300 -0.011 0.000 2.715 247 Y HA 0.603 5.153 4.550 0.000 0.000 0.331 247 Y C -1.012 174.890 175.900 0.004 0.000 1.197 247 Y CA -1.484 56.611 58.100 -0.008 0.000 1.079 247 Y CB 0.882 39.333 38.460 -0.014 0.000 1.298 247 Y HN 0.379 nan 8.280 nan 0.000 0.477 248 I N 2.313 122.984 120.570 0.169 0.000 2.308 248 I HA 0.338 4.508 4.170 0.000 0.000 0.293 248 I C 0.592 176.834 176.117 0.208 0.000 1.078 248 I CA -0.120 61.250 61.300 0.117 0.000 1.292 248 I CB 1.331 39.417 38.000 0.143 0.000 1.423 248 I HN 0.937 nan 8.210 nan 0.000 0.493 249 A N 4.461 127.329 122.820 0.080 0.000 2.095 249 A HA 0.108 4.429 4.320 0.000 0.000 0.212 249 A C 0.395 177.960 177.584 -0.033 0.000 1.162 249 A CA 0.772 52.855 52.037 0.077 0.000 0.753 249 A CB 0.020 19.040 19.000 0.034 0.000 0.840 249 A HN 0.736 nan 8.150 nan 0.000 0.468 250 D N -3.562 116.873 120.400 0.057 0.000 2.783 250 D HA 0.434 5.074 4.640 0.000 0.000 0.253 250 D C -1.563 174.829 176.300 0.154 0.000 1.206 250 D CA -0.387 53.633 54.000 0.033 0.000 0.740 250 D CB 0.662 41.476 40.800 0.024 0.000 1.313 250 D HN 0.347 nan 8.370 nan 0.000 0.427 251 Y N -0.434 119.863 120.300 -0.005 0.000 2.521 251 Y HA 0.546 5.097 4.550 0.000 0.000 0.328 251 Y C -1.751 174.120 175.900 -0.047 0.000 1.151 251 Y CA -1.089 57.006 58.100 -0.008 0.000 1.054 251 Y CB 1.165 39.615 38.460 -0.016 0.000 1.338 251 Y HN 0.361 nan 8.280 nan 0.000 0.453 252 K N 3.424 123.889 120.400 0.109 0.000 2.358 252 K HA 0.758 5.078 4.320 0.000 0.000 0.260 252 K C -1.803 174.784 176.600 -0.021 0.000 0.956 252 K CA -0.760 55.526 56.287 -0.002 0.000 0.834 252 K CB 1.720 34.234 32.500 0.025 0.000 1.102 252 K HN 0.719 nan 8.250 nan 0.000 0.431 253 V N 2.260 122.129 119.914 -0.075 0.000 2.612 253 V HA 0.420 4.540 4.120 0.000 0.000 0.301 253 V C -0.394 175.576 176.094 -0.208 0.000 1.046 253 V CA -0.681 61.511 62.300 -0.180 0.000 0.946 253 V CB 1.645 33.393 31.823 -0.125 0.000 1.003 253 V HN 0.818 nan 8.190 nan 0.000 0.459 254 S N 2.887 118.401 115.700 -0.309 0.000 2.789 254 S HA 0.711 5.181 4.470 0.000 0.000 0.286 254 S C -0.520 173.936 174.600 -0.239 0.000 1.153 254 S CA -0.077 57.993 58.200 -0.216 0.000 1.084 254 S CB 0.870 63.975 63.200 -0.158 0.000 1.036 254 S HN 1.143 nan 8.310 nan 0.000 0.484 255 A N 3.961 126.651 122.820 -0.216 0.000 2.664 255 A HA 0.710 5.030 4.320 0.000 0.000 0.338 255 A C 0.275 177.854 177.584 -0.009 0.000 1.280 255 A CA -0.544 51.334 52.037 -0.265 0.000 0.809 255 A CB 0.238 18.661 19.000 -0.961 0.000 1.114 255 A HN 0.862 nan 8.150 nan 0.000 0.479 256 S N 1.588 117.399 115.700 0.185 0.000 2.721 256 S HA 0.904 5.374 4.470 0.000 0.000 0.296 256 S C -0.167 174.596 174.600 0.272 0.000 1.093 256 S CA -0.779 57.543 58.200 0.203 0.000 0.959 256 S CB 0.613 63.880 63.200 0.113 0.000 1.301 256 S HN 0.505 nan 8.310 nan 0.000 0.550 257 L N 0.899 122.228 121.223 0.178 0.000 2.327 257 L HA 0.491 4.831 4.340 0.000 0.000 0.258 257 L C -0.713 176.143 176.870 -0.024 0.000 1.024 257 L CA -1.133 53.775 54.840 0.114 0.000 0.825 257 L CB 1.502 43.681 42.059 0.200 0.000 1.386 257 L HN 0.812 nan 8.230 nan 0.000 0.417 258 D N 0.741 121.086 120.400 -0.091 0.000 2.414 258 D HA 0.013 4.653 4.640 0.000 0.000 0.242 258 D C -0.028 176.013 176.300 -0.432 0.000 1.129 258 D CA -0.377 53.521 54.000 -0.169 0.000 0.885 258 D CB 1.461 42.190 40.800 -0.118 0.000 1.198 258 D HN 0.352 nan 8.370 nan 0.000 0.437 259 K N 1.904 122.059 120.400 -0.408 0.000 2.486 259 K HA -0.030 4.290 4.320 0.000 0.000 0.194 259 K C 1.351 177.637 176.600 -0.524 0.000 1.033 259 K CA 0.494 56.406 56.287 -0.624 0.000 1.004 259 K CB 0.154 32.509 32.500 -0.241 0.000 0.798 259 K HN 0.604 nan 8.250 nan 0.000 0.495 260 E N 0.734 120.743 120.200 -0.319 0.000 2.030 260 E HA -0.024 4.326 4.350 0.000 0.000 0.189 260 E C 1.121 177.675 176.600 -0.076 0.000 0.974 260 E CA 0.850 57.166 56.400 -0.139 0.000 0.807 260 E CB 0.159 29.815 29.700 -0.074 0.000 0.771 260 E HN 0.130 nan 8.360 nan 0.000 0.451 261 K N -0.452 119.901 120.400 -0.079 0.000 2.402 261 K HA 0.125 4.445 4.320 0.000 0.000 0.204 261 K C -0.832 175.870 176.600 0.171 0.000 1.056 261 K CA -0.194 56.132 56.287 0.066 0.000 1.069 261 K CB 0.622 33.148 32.500 0.043 0.000 0.888 261 K HN 0.071 nan 8.250 nan 0.000 0.546 262 Y N 0.715 121.041 120.300 0.043 0.000 3.225 262 Y HA -0.342 4.208 4.550 0.000 0.000 0.211 262 Y C 0.923 176.854 175.900 0.051 0.000 1.223 262 Y CA 0.429 58.563 58.100 0.056 0.000 1.284 262 Y CB -1.226 37.279 38.460 0.075 0.000 1.367 262 Y HN 0.041 nan 8.280 nan 0.000 0.566 263 K N -0.303 120.157 120.400 0.101 0.000 2.462 263 K HA 0.130 4.450 4.320 0.000 0.000 0.201 263 K C 0.488 177.093 176.600 0.008 0.000 1.268 263 K CA 0.191 56.518 56.287 0.066 0.000 0.933 263 K CB 0.442 32.971 32.500 0.048 0.000 1.162 263 K HN 0.502 nan 8.250 nan 0.000 0.527 264 E N 1.313 121.503 120.200 -0.016 0.000 2.229 264 E HA 0.305 4.655 4.350 0.000 0.000 0.283 264 E C -0.343 176.216 176.600 -0.068 0.000 1.030 264 E CA -0.399 55.967 56.400 -0.056 0.000 0.836 264 E CB 0.869 30.541 29.700 -0.047 0.000 1.068 264 E HN 0.156 nan 8.360 nan 0.000 0.401 265 G N 4.714 113.403 108.800 -0.186 0.000 2.403 265 G HA2 0.343 4.304 3.960 0.000 0.000 0.259 265 G HA3 0.343 4.304 3.960 0.000 0.000 0.259 265 G C -0.244 174.633 174.900 -0.037 0.000 1.244 265 G CA -0.485 44.469 45.100 -0.244 0.000 0.849 265 G HN 0.503 nan 8.290 nan 0.000 0.532 266 I N 2.480 123.161 120.570 0.185 0.000 2.390 266 I HA 0.263 4.434 4.170 0.000 0.000 0.283 266 I C -0.953 175.360 176.117 0.326 0.000 1.016 266 I CA -1.096 60.314 61.300 0.183 0.000 1.151 266 I CB 0.949 39.010 38.000 0.102 0.000 1.293 266 I HN 0.339 nan 8.210 nan 0.000 0.458 267 F N 7.191 127.238 119.950 0.162 0.000 2.404 267 F HA 0.495 5.022 4.527 0.000 0.000 0.354 267 F C -0.103 175.705 175.800 0.013 0.000 1.122 267 F CA -0.158 57.913 58.000 0.117 0.000 1.080 267 F CB 0.745 39.826 39.000 0.136 0.000 1.131 267 F HN 0.395 nan 8.300 nan 0.000 0.471 268 N N 5.950 124.240 118.700 -0.683 0.000 2.225 268 N HA 0.569 5.309 4.740 0.000 0.000 0.298 268 N C -2.071 172.955 175.510 -0.806 0.000 1.076 268 N CA -0.512 52.221 53.050 -0.529 0.000 0.792 268 N CB 2.642 40.989 38.487 -0.234 0.000 1.498 268 N HN 0.624 nan 8.380 nan 0.000 0.474 269 L N 1.057 121.965 121.223 -0.524 0.000 2.445 269 L HA 0.514 4.854 4.340 0.000 0.000 0.262 269 L C -1.212 175.635 176.870 -0.039 0.000 0.974 269 L CA -0.337 54.265 54.840 -0.397 0.000 0.822 269 L CB 1.966 43.648 42.059 -0.627 0.000 1.339 269 L HN 0.493 nan 8.230 nan 0.000 0.409 270 E N 3.819 124.024 120.200 0.008 0.000 2.292 270 E HA 0.697 5.047 4.350 0.000 0.000 0.272 270 E C -1.599 175.066 176.600 0.108 0.000 0.881 270 E CA -0.879 55.531 56.400 0.018 0.000 0.754 270 E CB 2.848 32.615 29.700 0.110 0.000 1.201 270 E HN 0.365 nan 8.360 nan 0.000 0.425 271 V N 1.527 121.469 119.914 0.047 0.000 2.876 271 V HA 0.472 4.592 4.120 0.000 0.000 0.312 271 V C -0.430 175.715 176.094 0.086 0.000 1.085 271 V CA -0.735 61.645 62.300 0.133 0.000 0.945 271 V CB 2.327 34.252 31.823 0.170 0.000 1.017 271 V HN 0.706 nan 8.190 nan 0.000 0.428 272 T N 3.056 117.690 114.554 0.133 0.000 2.786 272 T HA 0.582 4.932 4.350 0.000 0.000 0.283 272 T C -0.467 174.236 174.700 0.005 0.000 0.992 272 T CA -0.342 61.819 62.100 0.101 0.000 0.954 272 T CB 1.456 70.397 68.868 0.123 0.000 0.934 272 T HN 0.369 nan 8.240 nan 0.000 0.440 273 V N 4.020 123.903 119.914 -0.052 0.000 2.472 273 V HA 0.512 4.632 4.120 0.000 0.000 0.290 273 V C 0.093 176.036 176.094 -0.252 0.000 1.037 273 V CA -0.677 61.529 62.300 -0.157 0.000 0.908 273 V CB 1.682 33.437 31.823 -0.114 0.000 0.985 273 V HN 0.846 nan 8.190 nan 0.000 0.454 274 E N 1.816 121.693 120.200 -0.539 0.000 2.392 274 E HA 0.779 5.129 4.350 0.000 0.000 0.269 274 E C -0.194 176.025 176.600 -0.634 0.000 0.924 274 E CA -0.522 55.560 56.400 -0.531 0.000 0.784 274 E CB 2.391 31.812 29.700 -0.466 0.000 1.292 274 E HN 1.096 nan 8.360 nan 0.000 0.447 275 G N 1.904 110.553 108.800 -0.251 0.000 2.674 275 G HA2 -0.087 3.874 3.960 0.000 0.000 0.686 275 G HA3 -0.087 3.874 3.960 0.000 0.000 0.686 275 G C -3.005 171.869 174.900 -0.043 0.000 1.195 275 G CA -1.129 43.931 45.100 -0.067 0.000 0.776 275 G HN 0.335 nan 8.290 nan 0.000 0.654 276 P HA 0.505 nan 4.420 nan 0.000 0.275 276 P C -0.298 177.001 177.300 -0.001 0.000 1.228 276 P CA 0.003 63.104 63.100 0.001 0.000 0.786 276 P CB 1.825 33.534 31.700 0.015 0.000 0.927 277 S N 0.789 116.486 115.700 -0.006 0.000 2.599 277 S HA 0.481 4.951 4.470 0.000 0.000 0.269 277 S C 0.543 175.141 174.600 -0.004 0.000 1.135 277 S CA -0.176 58.022 58.200 -0.004 0.000 1.027 277 S CB 0.438 63.630 63.200 -0.013 0.000 1.129 277 S HN 0.456 nan 8.310 nan 0.000 0.458 278 A N 3.225 126.046 122.820 0.002 0.000 2.021 278 A HA 0.261 4.581 4.320 0.000 0.000 0.216 278 A C 1.363 178.947 177.584 0.000 0.000 1.163 278 A CA 1.440 53.478 52.037 0.002 0.000 0.676 278 A CB -0.605 18.398 19.000 0.005 0.000 0.818 278 A HN 0.976 nan 8.150 nan 0.000 0.453 279 T N -3.310 111.245 114.554 0.001 0.000 2.893 279 T HA 0.703 5.053 4.350 0.000 0.000 0.279 279 T C 0.313 175.011 174.700 -0.003 0.000 0.991 279 T CA -0.285 61.815 62.100 0.001 0.000 0.950 279 T CB 1.094 69.965 68.868 0.005 0.000 1.223 279 T HN 0.648 nan 8.240 nan 0.000 0.585 280 A N 0.535 123.353 122.820 -0.003 0.000 2.287 280 A HA 0.759 5.080 4.320 0.000 0.000 0.273 280 A C 0.523 178.104 177.584 -0.004 0.000 1.091 280 A CA -0.094 51.939 52.037 -0.007 0.000 0.817 280 A CB -0.081 18.915 19.000 -0.006 0.000 1.069 280 A HN 1.834 nan 8.150 nan 0.000 0.492 281 S N -1.072 114.623 115.700 -0.008 0.000 2.655 281 S HA 0.779 5.249 4.470 0.000 0.000 0.266 281 S C -0.658 173.939 174.600 -0.005 0.000 1.149 281 S CA 0.022 58.220 58.200 -0.003 0.000 0.818 281 S CB 0.801 63.999 63.200 -0.004 0.000 1.130 281 S HN 2.286 nan 8.310 nan 0.000 0.476 282 S N -0.164 115.539 115.700 0.005 0.000 2.596 282 S HA 0.807 5.277 4.470 0.000 0.000 0.270 282 S C -1.600 173.022 174.600 0.037 0.000 1.155 282 S CA -0.784 57.423 58.200 0.012 0.000 0.827 282 S CB 1.337 64.546 63.200 0.015 0.000 1.130 282 S HN 1.665 nan 8.310 nan 0.000 0.467 283 I N 1.163 121.778 120.570 0.074 0.000 2.447 283 I HA 0.838 5.008 4.170 0.000 0.000 0.287 283 I C -0.444 175.829 176.117 0.260 0.000 1.023 283 I CA -0.523 60.865 61.300 0.145 0.000 1.083 283 I CB 1.073 39.172 38.000 0.164 0.000 1.245 283 I HN 1.156 nan 8.210 nan 0.000 0.434 284 A N 6.464 129.381 122.820 0.162 0.000 2.384 284 A HA 0.876 5.196 4.320 0.000 0.000 0.312 284 A C -1.706 175.889 177.584 0.018 0.000 1.113 284 A CA -0.467 51.625 52.037 0.092 0.000 0.779 284 A CB 1.170 20.174 19.000 0.006 0.000 1.307 284 A HN 0.901 nan 8.150 nan 0.000 0.436 285 Y N -1.277 118.912 120.300 -0.186 0.000 2.553 285 Y HA 0.835 5.385 4.550 0.000 0.000 0.347 285 Y C -0.767 175.018 175.900 -0.192 0.000 1.019 285 Y CA -1.011 56.942 58.100 -0.245 0.000 1.032 285 Y CB 1.515 39.721 38.460 -0.423 0.000 1.284 285 Y HN 0.462 nan 8.280 nan 0.000 0.466 286 T N 4.979 119.550 114.554 0.028 0.000 2.937 286 T HA 0.396 4.746 4.350 0.000 0.000 0.297 286 T C -1.718 173.004 174.700 0.036 0.000 0.991 286 T CA -0.411 61.662 62.100 -0.046 0.000 0.990 286 T CB 1.274 70.098 68.868 -0.073 0.000 0.991 286 T HN 0.759 nan 8.240 nan 0.000 0.440 287 L N 4.475 125.701 121.223 0.005 0.000 2.255 287 L HA 0.534 4.874 4.340 0.000 0.000 0.289 287 L C -0.358 176.525 176.870 0.022 0.000 1.046 287 L CA -0.080 54.725 54.840 -0.058 0.000 0.816 287 L CB 0.154 42.037 42.059 -0.292 0.000 1.197 287 L HN 0.473 nan 8.230 nan 0.000 0.427 288 K N 2.794 123.235 120.400 0.068 0.000 2.156 288 K HA 0.477 4.797 4.320 0.000 0.000 0.250 288 K C -0.750 175.929 176.600 0.132 0.000 0.955 288 K CA -0.888 55.445 56.287 0.077 0.000 0.855 288 K CB 1.223 33.733 32.500 0.017 0.000 1.101 288 K HN 0.629 nan 8.250 nan 0.000 0.434 289 D N 0.442 120.871 120.400 0.049 0.000 2.451 289 D HA 0.163 4.803 4.640 0.000 0.000 0.259 289 D C 0.866 177.074 176.300 -0.152 0.000 1.201 289 D CA -0.623 53.281 54.000 -0.161 0.000 1.028 289 D CB 0.377 41.082 40.800 -0.159 0.000 1.095 289 D HN 0.421 nan 8.370 nan 0.000 0.539 290 A N -0.187 122.504 122.820 -0.215 0.000 1.978 290 A HA -0.189 4.131 4.320 0.000 0.000 0.220 290 A C 2.125 179.657 177.584 -0.087 0.000 1.170 290 A CA 2.195 54.153 52.037 -0.133 0.000 0.636 290 A CB -1.123 17.795 19.000 -0.136 0.000 0.810 290 A HN 0.518 nan 8.150 nan 0.000 0.448 291 S N -1.773 113.876 115.700 -0.085 0.000 2.382 291 S HA 0.170 4.640 4.470 0.000 0.000 0.228 291 S C 1.521 176.096 174.600 -0.042 0.000 1.027 291 S CA 2.206 60.372 58.200 -0.056 0.000 0.991 291 S CB -0.249 62.920 63.200 -0.052 0.000 0.823 291 S HN 1.806 nan 8.310 nan 0.000 0.469 292 G N 0.263 109.040 108.800 -0.039 0.000 2.260 292 G HA2 -0.159 3.801 3.960 0.000 0.000 0.179 292 G HA3 -0.159 3.801 3.960 0.000 0.000 0.179 292 G C 0.005 174.894 174.900 -0.019 0.000 1.002 292 G CA 0.099 45.183 45.100 -0.027 0.000 0.677 292 G HN 0.684 nan 8.290 nan 0.000 0.486 293 K N 1.433 121.822 120.400 -0.018 0.000 2.322 293 K HA 0.669 4.989 4.320 0.000 0.000 0.283 293 K C 0.831 177.431 176.600 0.000 0.000 1.042 293 K CA 0.184 56.465 56.287 -0.011 0.000 0.958 293 K CB 0.709 33.202 32.500 -0.012 0.000 0.984 293 K HN 0.527 nan 8.250 nan 0.000 0.473 294 A N 3.485 126.298 122.820 -0.011 0.000 2.477 294 A HA 0.181 4.501 4.320 0.000 0.000 0.246 294 A C 0.842 178.418 177.584 -0.013 0.000 1.078 294 A CA -0.098 51.928 52.037 -0.017 0.000 0.770 294 A CB 0.373 19.348 19.000 -0.042 0.000 1.011 294 A HN 0.794 nan 8.150 nan 0.000 0.494 295 V N 0.561 120.469 119.914 -0.010 0.000 3.473 295 V HA 0.474 4.594 4.120 0.000 0.000 0.253 295 V C 0.252 176.306 176.094 -0.066 0.000 1.340 295 V CA 0.220 62.508 62.300 -0.019 0.000 1.103 295 V CB -0.722 31.120 31.823 0.031 0.000 0.881 295 V HN 0.559 nan 8.190 nan 0.000 0.451 296 L N 1.182 122.352 121.223 -0.089 0.000 2.422 296 L HA 0.768 5.108 4.340 0.000 0.000 0.264 296 L C -1.021 175.752 176.870 -0.161 0.000 0.984 296 L CA -0.230 54.556 54.840 -0.089 0.000 0.819 296 L CB 2.283 44.279 42.059 -0.105 0.000 1.330 296 L HN 0.339 nan 8.230 nan 0.000 0.410 297 Q N 1.896 121.511 119.800 -0.307 0.000 2.391 297 Q HA 0.502 4.842 4.340 0.000 0.000 0.279 297 Q C -2.183 173.429 176.000 -0.647 0.000 1.028 297 Q CA -0.488 54.966 55.803 -0.581 0.000 0.836 297 Q CB 3.054 31.614 28.738 -0.296 0.000 1.414 297 Q HN 0.594 nan 8.270 nan 0.000 0.397 298 D N 0.203 120.079 120.400 -0.872 0.000 2.755 298 D HA 0.762 5.402 4.640 0.000 0.000 0.277 298 D C -2.099 174.101 176.300 -0.167 0.000 1.261 298 D CA 0.154 53.921 54.000 -0.389 0.000 0.759 298 D CB 2.198 42.905 40.800 -0.156 0.000 1.279 298 D HN 0.669 nan 8.370 nan 0.000 0.420 299 A N 0.951 123.865 122.820 0.156 0.000 2.594 299 A HA 0.647 4.967 4.320 0.000 0.000 0.296 299 A C -1.830 175.862 177.584 0.180 0.000 1.061 299 A CA -0.591 51.594 52.037 0.246 0.000 0.689 299 A CB 1.190 20.232 19.000 0.070 0.000 1.280 299 A HN 0.316 nan 8.150 nan 0.000 0.406 300 I N 1.176 121.806 120.570 0.100 0.000 2.647 300 I HA 0.347 4.517 4.170 0.000 0.000 0.295 300 I C -0.203 175.882 176.117 -0.054 0.000 1.078 300 I CA -0.592 60.661 61.300 -0.077 0.000 1.048 300 I CB 1.839 39.643 38.000 -0.328 0.000 1.239 300 I HN 0.825 nan 8.210 nan 0.000 0.421 301 N N 5.307 123.974 118.700 -0.056 0.000 2.524 301 N HA 0.715 5.455 4.740 0.000 0.000 0.283 301 N C -0.668 174.807 175.510 -0.059 0.000 1.142 301 N CA -0.536 52.489 53.050 -0.041 0.000 0.984 301 N CB 1.997 40.466 38.487 -0.030 0.000 1.155 301 N HN 0.530 nan 8.380 nan 0.000 0.467 302 I N -2.140 118.403 120.570 -0.046 0.000 2.865 302 I HA 0.621 4.791 4.170 0.000 0.000 0.302 302 I C -1.254 174.842 176.117 -0.035 0.000 1.140 302 I CA -0.892 60.378 61.300 -0.050 0.000 1.021 302 I CB 2.381 40.346 38.000 -0.059 0.000 1.233 302 I HN 0.418 nan 8.210 nan 0.000 0.427 303 K N 3.165 123.546 120.400 -0.033 0.000 2.587 303 K HA 0.614 4.934 4.320 0.000 0.000 0.256 303 K C -1.743 174.843 176.600 -0.023 0.000 0.974 303 K CA -0.202 56.071 56.287 -0.024 0.000 0.855 303 K CB 1.876 34.365 32.500 -0.020 0.000 1.292 303 K HN 0.965 nan 8.250 nan 0.000 0.444 304 S N 2.536 118.223 115.700 -0.021 0.000 2.565 304 S HA 0.420 4.890 4.470 0.000 0.000 0.274 304 S C -0.529 174.061 174.600 -0.016 0.000 1.144 304 S CA -0.726 57.463 58.200 -0.019 0.000 0.849 304 S CB 1.460 64.647 63.200 -0.022 0.000 1.103 304 S HN 0.670 nan 8.310 nan 0.000 0.455 305 R N 1.512 122.005 120.500 -0.013 0.000 2.300 305 R HA 0.238 4.578 4.340 0.000 0.000 0.199 305 R C 1.240 177.534 176.300 -0.011 0.000 0.920 305 R CA 0.646 56.740 56.100 -0.010 0.000 1.046 305 R CB -0.403 29.894 30.300 -0.006 0.000 0.984 305 R HN 0.685 nan 8.270 nan 0.000 0.493 306 G N 0.005 108.797 108.800 -0.014 0.000 2.611 306 G HA2 0.219 4.179 3.960 0.000 0.000 0.273 306 G HA3 0.219 4.179 3.960 0.000 0.000 0.273 306 G C 0.558 175.445 174.900 -0.021 0.000 1.305 306 G CA -0.546 44.545 45.100 -0.015 0.000 1.010 306 G HN 0.167 nan 8.290 nan 0.000 0.509 307 L N 0.197 121.406 121.223 -0.023 0.000 2.769 307 L HA 0.288 4.628 4.340 0.000 0.000 0.240 307 L C 0.576 177.410 176.870 -0.060 0.000 1.163 307 L CA 0.058 54.877 54.840 -0.034 0.000 0.962 307 L CB -0.158 41.891 42.059 -0.016 0.000 1.258 307 L HN 0.548 nan 8.230 nan 0.000 0.513 308 S N -1.491 114.179 115.700 -0.051 0.000 2.535 308 S HA 0.520 4.990 4.470 0.000 0.000 0.272 308 S C -1.061 173.524 174.600 -0.025 0.000 1.149 308 S CA -0.911 57.255 58.200 -0.056 0.000 0.888 308 S CB 1.946 65.123 63.200 -0.039 0.000 1.110 308 S HN 0.074 nan 8.310 nan 0.000 0.463 309 N N 0.915 119.603 118.700 -0.021 0.000 2.346 309 N HA 0.575 5.316 4.740 0.000 0.000 0.289 309 N C -1.868 173.678 175.510 0.061 0.000 1.027 309 N CA -0.446 52.606 53.050 0.004 0.000 0.864 309 N CB 1.433 39.895 38.487 -0.041 0.000 1.370 309 N HN 0.636 nan 8.380 nan 0.000 0.481 310 F N 4.322 124.235 119.950 -0.062 0.000 2.391 310 F HA 0.545 5.072 4.527 0.000 0.000 0.359 310 F C -1.087 174.666 175.800 -0.078 0.000 1.122 310 F CA -0.981 56.986 58.000 -0.055 0.000 1.120 310 F CB 0.452 39.425 39.000 -0.045 0.000 1.142 310 F HN 0.282 nan 8.300 nan 0.000 0.483 311 I N 6.496 126.663 120.570 -0.672 0.000 2.382 311 I HA 0.424 4.594 4.170 0.000 0.000 0.286 311 I C -0.197 175.398 176.117 -0.870 0.000 1.002 311 I CA -0.995 59.891 61.300 -0.690 0.000 1.135 311 I CB 0.799 38.510 38.000 -0.481 0.000 1.288 311 I HN 0.721 nan 8.210 nan 0.000 0.448 312 A N 7.114 129.460 122.820 -0.791 0.000 2.256 312 A HA 0.710 5.030 4.320 0.000 0.000 0.317 312 A C -0.697 176.688 177.584 -0.332 0.000 1.318 312 A CA -0.376 51.358 52.037 -0.505 0.000 0.894 312 A CB 0.155 18.939 19.000 -0.359 0.000 1.165 312 A HN 0.457 nan 8.150 nan 0.000 0.525 313 F N 1.090 120.961 119.950 -0.132 0.000 2.382 313 F HA 0.235 4.762 4.527 0.000 0.000 0.331 313 F C 0.722 176.520 175.800 -0.004 0.000 1.121 313 F CA 0.223 58.214 58.000 -0.016 0.000 1.183 313 F CB 0.751 39.802 39.000 0.085 0.000 1.207 313 F HN 0.525 nan 8.300 nan 0.000 0.555 314 D N 1.205 121.750 120.400 0.242 0.000 2.443 314 D HA -0.017 4.623 4.640 0.000 0.000 0.239 314 D C 0.005 176.409 176.300 0.173 0.000 1.136 314 D CA 0.013 54.105 54.000 0.153 0.000 0.879 314 D CB 0.410 41.290 40.800 0.134 0.000 1.195 314 D HN 0.475 nan 8.370 nan 0.000 0.443 315 E N 1.900 122.164 120.200 0.106 0.000 2.384 315 E HA 0.027 4.378 4.350 0.000 0.000 0.266 315 E C -0.490 176.194 176.600 0.141 0.000 1.012 315 E CA -0.256 56.203 56.400 0.099 0.000 0.901 315 E CB 0.483 30.215 29.700 0.054 0.000 0.967 315 E HN 0.102 nan 8.360 nan 0.000 0.435 316 K N 2.930 123.450 120.400 0.201 0.000 2.350 316 K HA 0.504 4.824 4.320 0.000 0.000 0.241 316 K C -0.704 175.978 176.600 0.137 0.000 0.994 316 K CA -0.954 55.442 56.287 0.182 0.000 0.839 316 K CB 1.657 34.306 32.500 0.249 0.000 1.244 316 K HN 0.373 nan 8.250 nan 0.000 0.443 317 K N 1.273 121.708 120.400 0.060 0.000 2.385 317 K HA 0.547 4.867 4.320 0.000 0.000 0.248 317 K C -0.524 176.033 176.600 -0.072 0.000 0.955 317 K CA -0.822 55.465 56.287 0.000 0.000 0.816 317 K CB 1.804 34.300 32.500 -0.007 0.000 1.250 317 K HN 0.408 nan 8.250 nan 0.000 0.434 318 I N 1.729 122.203 120.570 -0.159 0.000 2.476 318 I HA 0.246 4.416 4.170 0.000 0.000 0.281 318 I C 0.035 176.046 176.117 -0.176 0.000 1.040 318 I CA -0.868 60.300 61.300 -0.220 0.000 1.094 318 I CB 1.160 38.893 38.000 -0.445 0.000 1.219 318 I HN 0.596 nan 8.210 nan 0.000 0.450 319 A N 4.966 127.723 122.820 -0.105 0.000 2.425 319 A HA 0.349 4.669 4.320 0.000 0.000 0.249 319 A C 0.768 178.310 177.584 -0.071 0.000 1.084 319 A CA 0.057 52.050 52.037 -0.073 0.000 0.781 319 A CB -0.038 18.934 19.000 -0.047 0.000 1.019 319 A HN 0.826 nan 8.150 nan 0.000 0.490 320 E N -0.344 119.825 120.200 -0.052 0.000 2.297 320 E HA -0.168 4.182 4.350 0.000 0.000 0.228 320 E C -0.083 176.491 176.600 -0.042 0.000 1.213 320 E CA 0.602 56.982 56.400 -0.034 0.000 0.712 320 E CB -1.525 28.162 29.700 -0.022 0.000 1.202 320 E HN 0.626 nan 8.360 nan 0.000 0.376 321 V N 0.939 120.799 119.914 -0.091 0.000 2.843 321 V HA 0.006 4.126 4.120 0.000 0.000 0.305 321 V C 0.674 176.788 176.094 0.034 0.000 1.065 321 V CA 0.006 62.236 62.300 -0.116 0.000 1.116 321 V CB 0.985 32.542 31.823 -0.444 0.000 0.968 321 V HN 0.103 nan 8.190 nan 0.000 0.487 322 K N 5.877 126.387 120.400 0.182 0.000 2.315 322 K HA 0.359 4.679 4.320 0.000 0.000 0.291 322 K C 0.178 176.939 176.600 0.267 0.000 1.074 322 K CA 0.269 56.653 56.287 0.162 0.000 0.936 322 K CB 0.601 33.146 32.500 0.076 0.000 1.049 322 K HN 0.811 nan 8.250 nan 0.000 0.471 323 A N 3.433 126.353 122.820 0.167 0.000 2.386 323 A HA 0.245 4.565 4.320 0.000 0.000 0.248 323 A C -0.702 177.003 177.584 0.203 0.000 1.082 323 A CA -0.448 51.712 52.037 0.205 0.000 0.789 323 A CB 0.306 19.360 19.000 0.089 0.000 1.025 323 A HN 0.800 nan 8.150 nan 0.000 0.490 324 W N 2.540 123.881 121.300 0.069 0.000 2.478 324 W HA 0.550 5.211 4.660 0.000 0.000 0.318 324 W C -0.438 176.035 176.519 -0.077 0.000 1.062 324 W CA -0.140 57.219 57.345 0.022 0.000 1.210 324 W CB 1.221 30.718 29.460 0.062 0.000 1.325 324 W HN 0.976 nan 8.180 nan 0.000 0.496 325 N N 2.791 120.966 118.700 -0.874 0.000 3.116 325 N HA 0.486 5.226 4.740 0.000 0.000 0.244 325 N C -0.078 174.714 175.510 -1.197 0.000 1.485 325 N CA -0.298 52.245 53.050 -0.845 0.000 0.884 325 N CB 0.762 38.743 38.487 -0.843 0.000 1.415 325 N HN 0.348 nan 8.380 nan 0.000 0.524 326 A N -0.225 122.079 122.820 -0.860 0.000 1.978 326 A HA -0.148 4.172 4.320 0.000 0.000 0.220 326 A C 1.511 178.787 177.584 -0.514 0.000 1.170 326 A CA 1.711 53.236 52.037 -0.854 0.000 0.636 326 A CB -0.844 17.560 19.000 -0.994 0.000 0.810 326 A HN 0.789 nan 8.150 nan 0.000 0.448 327 E N -1.274 118.700 120.200 -0.377 0.000 2.122 327 E HA -0.022 4.328 4.350 0.000 0.000 0.190 327 E C -0.142 176.019 176.600 -0.731 0.000 0.977 327 E CA 0.645 56.770 56.400 -0.459 0.000 0.820 327 E CB 0.083 29.554 29.700 -0.381 0.000 0.770 327 E HN 0.657 nan 8.360 nan 0.000 0.462 328 H N 0.104 119.000 119.070 -0.289 0.000 2.854 328 H HA 0.153 4.709 4.556 0.000 0.000 0.275 328 H C -2.291 172.761 175.328 -0.461 0.000 1.198 328 H CA -2.236 53.644 56.048 -0.281 0.000 1.489 328 H CB 0.990 30.640 29.762 -0.187 0.000 1.519 328 H HN 0.062 nan 8.280 nan 0.000 0.503 329 P HA 0.036 nan 4.420 nan 0.000 0.220 329 P C -0.434 176.816 177.300 -0.085 0.000 1.778 329 P CA -0.411 62.318 63.100 -0.619 0.000 0.912 329 P CB -0.686 30.788 31.700 -0.376 0.000 1.861 330 N N 1.021 119.713 118.700 -0.013 0.000 2.411 330 N HA 0.100 4.841 4.740 0.000 0.000 0.261 330 N C -0.145 175.518 175.510 0.255 0.000 1.248 330 N CA 0.351 53.450 53.050 0.081 0.000 0.885 330 N CB 0.174 38.695 38.487 0.056 0.000 1.062 330 N HN 0.262 nan 8.380 nan 0.000 0.471 331 L N 2.676 123.970 121.223 0.119 0.000 2.386 331 L HA 0.477 4.817 4.340 0.000 0.000 0.271 331 L C -0.785 176.091 176.870 0.009 0.000 0.993 331 L CA -0.907 54.025 54.840 0.153 0.000 0.819 331 L CB 1.130 43.258 42.059 0.116 0.000 1.294 331 L HN 0.477 nan 8.230 nan 0.000 0.414 332 Y N 0.128 120.475 120.300 0.078 0.000 2.453 332 Y HA 0.468 5.018 4.550 0.000 0.000 0.326 332 Y C 0.389 176.288 175.900 -0.002 0.000 1.186 332 Y CA -0.501 57.629 58.100 0.051 0.000 1.200 332 Y CB 2.161 40.684 38.460 0.104 0.000 1.247 332 Y HN 0.365 nan 8.280 nan 0.000 0.482 333 T N 3.527 118.161 114.554 0.133 0.000 2.779 333 T HA 0.336 4.687 4.350 0.000 0.000 0.280 333 T C -1.280 173.433 174.700 0.022 0.000 0.987 333 T CA -0.553 61.574 62.100 0.046 0.000 0.966 333 T CB 0.720 69.588 68.868 -0.001 0.000 0.933 333 T HN 0.301 nan 8.240 nan 0.000 0.442 334 L N 5.643 126.863 121.223 -0.005 0.000 2.265 334 L HA 0.617 4.958 4.340 0.000 0.000 0.288 334 L C -0.913 175.919 176.870 -0.064 0.000 1.058 334 L CA -0.269 54.547 54.840 -0.040 0.000 0.809 334 L CB 0.695 42.725 42.059 -0.048 0.000 1.179 334 L HN 0.416 nan 8.230 nan 0.000 0.429 335 V N 6.960 126.844 119.914 -0.049 0.000 2.378 335 V HA 0.426 4.546 4.120 0.000 0.000 0.288 335 V C 0.044 176.109 176.094 -0.049 0.000 1.016 335 V CA -0.569 61.697 62.300 -0.056 0.000 0.840 335 V CB 1.338 33.137 31.823 -0.040 0.000 0.994 335 V HN 0.610 nan 8.190 nan 0.000 0.431 336 L N 4.808 125.983 121.223 -0.079 0.000 2.322 336 L HA 0.679 5.019 4.340 0.000 0.000 0.279 336 L C -0.081 176.786 176.870 -0.005 0.000 1.036 336 L CA -0.424 54.375 54.840 -0.068 0.000 0.807 336 L CB 1.694 43.648 42.059 -0.176 0.000 1.226 336 L HN 0.618 nan 8.230 nan 0.000 0.433 337 E N 2.936 123.147 120.200 0.019 0.000 2.263 337 E HA 0.406 4.757 4.350 0.000 0.000 0.268 337 E C -1.500 175.128 176.600 0.046 0.000 0.884 337 E CA -0.851 55.570 56.400 0.035 0.000 0.766 337 E CB 3.169 32.885 29.700 0.027 0.000 1.196 337 E HN 0.207 nan 8.360 nan 0.000 0.416 338 L N 2.998 124.249 121.223 0.046 0.000 2.295 338 L HA 0.442 4.782 4.340 0.000 0.000 0.285 338 L C -1.025 175.866 176.870 0.035 0.000 1.035 338 L CA -0.002 54.863 54.840 0.041 0.000 0.806 338 L CB 0.603 42.685 42.059 0.039 0.000 1.214 338 L HN 0.424 nan 8.230 nan 0.000 0.426 339 K N 3.131 123.549 120.400 0.029 0.000 2.395 339 K HA 0.457 4.777 4.320 0.000 0.000 0.247 339 K C -1.005 175.606 176.600 0.019 0.000 0.973 339 K CA -1.061 55.241 56.287 0.025 0.000 0.828 339 K CB 1.484 33.999 32.500 0.024 0.000 1.272 339 K HN 0.510 nan 8.250 nan 0.000 0.439 340 D N 0.326 120.738 120.400 0.020 0.000 2.372 340 D HA 0.030 4.670 4.640 0.000 0.000 0.243 340 D C 0.965 177.273 176.300 0.013 0.000 1.297 340 D CA 0.124 54.134 54.000 0.017 0.000 0.958 340 D CB 0.702 41.515 40.800 0.020 0.000 1.114 340 D HN 0.644 nan 8.370 nan 0.000 0.496 341 A N 0.050 122.877 122.820 0.011 0.000 2.119 341 A HA -0.120 4.200 4.320 0.000 0.000 0.216 341 A C 1.642 179.231 177.584 0.008 0.000 1.152 341 A CA 1.117 53.158 52.037 0.007 0.000 0.708 341 A CB -0.096 18.907 19.000 0.006 0.000 0.805 341 A HN 0.342 nan 8.150 nan 0.000 0.460 342 Q N -1.469 118.338 119.800 0.012 0.000 2.360 342 Q HA 0.328 4.668 4.340 0.000 0.000 0.202 342 Q C 1.073 177.081 176.000 0.013 0.000 0.915 342 Q CA 0.727 56.537 55.803 0.012 0.000 0.943 342 Q CB 0.378 29.125 28.738 0.015 0.000 1.064 342 Q HN 0.816 nan 8.270 nan 0.000 0.511 343 G N 0.849 109.657 108.800 0.013 0.000 2.136 343 G HA2 -0.336 3.624 3.960 0.000 0.000 0.242 343 G HA3 -0.336 3.624 3.960 0.000 0.000 0.242 343 G C 0.014 174.925 174.900 0.019 0.000 0.989 343 G CA 0.243 45.351 45.100 0.014 0.000 0.682 343 G HN 0.253 nan 8.290 nan 0.000 0.522 344 K N 0.738 121.152 120.400 0.023 0.000 2.276 344 K HA 0.507 4.827 4.320 0.000 0.000 0.283 344 K C 0.741 177.361 176.600 0.034 0.000 1.044 344 K CA -0.656 55.648 56.287 0.030 0.000 0.944 344 K CB 0.834 33.353 32.500 0.033 0.000 1.012 344 K HN 0.014 nan 8.250 nan 0.000 0.472 345 V N 4.829 124.766 119.914 0.040 0.000 2.450 345 V HA -0.044 4.076 4.120 0.000 0.000 0.281 345 V C 1.430 177.554 176.094 0.049 0.000 1.019 345 V CA 0.451 62.779 62.300 0.045 0.000 1.062 345 V CB 0.549 32.404 31.823 0.054 0.000 0.979 345 V HN 1.060 nan 8.190 nan 0.000 0.477 346 T N 0.901 115.478 114.554 0.038 0.000 3.014 346 T HA 0.214 4.565 4.350 0.000 0.000 0.250 346 T C 0.380 175.080 174.700 0.002 0.000 1.060 346 T CA 0.157 62.273 62.100 0.025 0.000 1.040 346 T CB 0.387 69.268 68.868 0.021 0.000 0.971 346 T HN 0.675 nan 8.240 nan 0.000 0.497 347 E N -0.265 119.949 120.200 0.024 0.000 2.354 347 E HA 0.567 4.917 4.350 0.000 0.000 0.283 347 E C -2.258 174.385 176.600 0.072 0.000 0.938 347 E CA -0.927 55.487 56.400 0.023 0.000 0.777 347 E CB 2.187 31.904 29.700 0.029 0.000 1.222 347 E HN 0.246 nan 8.360 nan 0.000 0.423 348 L N 3.454 124.747 121.223 0.117 0.000 2.410 348 L HA 0.760 5.100 4.340 0.000 0.000 0.270 348 L C -1.093 175.917 176.870 0.233 0.000 0.983 348 L CA 0.019 54.945 54.840 0.144 0.000 0.822 348 L CB 2.213 44.361 42.059 0.149 0.000 1.285 348 L HN 0.695 nan 8.230 nan 0.000 0.409 349 T N 2.304 116.965 114.554 0.179 0.000 2.711 349 T HA 0.912 5.262 4.350 0.000 0.000 0.302 349 T C -0.779 173.975 174.700 0.089 0.000 1.373 349 T CA 0.011 62.280 62.100 0.281 0.000 1.000 349 T CB 1.599 70.657 68.868 0.317 0.000 1.483 349 T HN 1.126 nan 8.240 nan 0.000 0.499 350 G N -0.445 108.447 108.800 0.152 0.000 2.333 350 G HA2 0.515 4.475 3.960 0.000 0.000 0.288 350 G HA3 0.515 4.475 3.960 0.000 0.000 0.288 350 G C -0.813 174.199 174.900 0.188 0.000 1.286 350 G CA 0.192 45.317 45.100 0.041 0.000 0.865 350 G HN 1.880 nan 8.290 nan 0.000 0.506 351 C N -2.016 117.356 119.300 0.120 0.000 3.314 351 C HA 0.876 5.336 4.460 0.000 0.000 0.344 351 C C -0.927 174.093 174.990 0.051 0.000 1.461 351 C CA -0.997 58.100 59.018 0.132 0.000 1.249 351 C CB 1.345 29.174 27.740 0.148 0.000 1.632 351 C HN 0.903 nan 8.230 nan 0.000 0.452 352 E N 0.511 120.730 120.200 0.033 0.000 2.313 352 E HA 0.601 4.951 4.350 0.000 0.000 0.272 352 E C -0.799 175.782 176.600 -0.032 0.000 1.038 352 E CA -0.154 56.254 56.400 0.012 0.000 0.863 352 E CB 1.768 31.478 29.700 0.016 0.000 1.060 352 E HN 0.593 nan 8.360 nan 0.000 0.402 353 V N 0.947 120.855 119.914 -0.011 0.000 2.588 353 V HA 0.599 4.719 4.120 0.000 0.000 0.304 353 V C 0.169 176.214 176.094 -0.082 0.000 1.042 353 V CA -0.824 61.415 62.300 -0.101 0.000 0.877 353 V CB 2.119 33.876 31.823 -0.109 0.000 0.996 353 V HN 0.710 nan 8.190 nan 0.000 0.425 354 G N 3.097 111.743 108.800 -0.257 0.000 2.557 354 G HA2 0.647 4.607 3.960 0.000 0.000 0.310 354 G HA3 0.647 4.607 3.960 0.000 0.000 0.310 354 G C -1.173 173.634 174.900 -0.156 0.000 1.328 354 G CA -0.404 44.615 45.100 -0.135 0.000 0.945 354 G HN 0.407 nan 8.290 nan 0.000 0.494 355 F N 4.001 124.061 119.950 0.183 0.000 2.421 355 F HA 0.586 5.114 4.527 0.000 0.000 0.358 355 F C 1.038 176.941 175.800 0.172 0.000 1.115 355 F CA -0.196 57.883 58.000 0.131 0.000 1.160 355 F CB 0.942 40.003 39.000 0.102 0.000 1.123 355 F HN 0.516 nan 8.300 nan 0.000 0.508 356 R N 0.991 121.643 120.500 0.253 0.000 2.765 356 R HA 0.459 4.800 4.340 0.000 0.000 0.277 356 R C -1.803 174.596 176.300 0.166 0.000 1.028 356 R CA -0.771 55.466 56.100 0.229 0.000 0.860 356 R CB 0.798 31.274 30.300 0.294 0.000 1.270 356 R HN 0.503 nan 8.270 nan 0.000 0.484 357 T N -1.767 112.886 114.554 0.165 0.000 2.887 357 T HA 0.632 4.983 4.350 0.000 0.000 0.288 357 T C -0.721 174.016 174.700 0.062 0.000 1.021 357 T CA -0.775 61.411 62.100 0.143 0.000 1.000 357 T CB 1.724 70.748 68.868 0.261 0.000 1.034 357 T HN 0.597 nan 8.240 nan 0.000 0.467 358 S N 1.614 117.346 115.700 0.053 0.000 2.605 358 S HA 0.624 5.095 4.470 0.000 0.000 0.308 358 S C -1.047 173.602 174.600 0.081 0.000 1.113 358 S CA -0.597 57.617 58.200 0.023 0.000 1.049 358 S CB 0.321 63.574 63.200 0.088 0.000 1.001 358 S HN 1.037 nan 8.310 nan 0.000 0.480 359 E N 3.387 123.615 120.200 0.046 0.000 2.416 359 E HA 0.407 4.757 4.350 0.000 0.000 0.280 359 E C -1.610 175.082 176.600 0.154 0.000 1.055 359 E CA -1.035 55.441 56.400 0.128 0.000 0.825 359 E CB 0.728 30.499 29.700 0.118 0.000 1.312 359 E HN 0.467 nan 8.360 nan 0.000 0.452 360 I N 1.567 122.250 120.570 0.190 0.000 2.337 360 I HA 0.300 4.471 4.170 0.000 0.000 0.285 360 I C -0.307 175.902 176.117 0.152 0.000 1.041 360 I CA -0.366 61.050 61.300 0.194 0.000 1.199 360 I CB 1.050 39.173 38.000 0.206 0.000 1.370 360 I HN 0.335 nan 8.210 nan 0.000 0.470 361 K N 6.085 126.558 120.400 0.121 0.000 2.307 361 K HA 0.239 4.559 4.320 0.000 0.000 0.263 361 K C -0.595 176.069 176.600 0.106 0.000 0.973 361 K CA -0.425 55.930 56.287 0.112 0.000 0.846 361 K CB 0.820 33.378 32.500 0.098 0.000 1.100 361 K HN 0.487 nan 8.250 nan 0.000 0.438 362 D N 3.556 124.023 120.400 0.111 0.000 2.708 362 D HA -0.198 4.442 4.640 0.000 0.000 0.236 362 D C 0.657 177.023 176.300 0.110 0.000 1.146 362 D CA 1.698 55.760 54.000 0.102 0.000 0.662 362 D CB -1.285 39.564 40.800 0.082 0.000 1.059 362 D HN 1.085 nan 8.370 nan 0.000 0.428 363 G N -0.683 108.197 108.800 0.135 0.000 2.179 363 G HA2 -0.373 3.587 3.960 0.000 0.000 0.260 363 G HA3 -0.373 3.587 3.960 0.000 0.000 0.260 363 G C 0.340 175.319 174.900 0.131 0.000 0.977 363 G CA 0.543 45.722 45.100 0.132 0.000 0.641 363 G HN 0.553 nan 8.290 nan 0.000 0.533 364 R N -0.811 119.767 120.500 0.129 0.000 2.670 364 R HA 0.564 4.904 4.340 0.000 0.000 0.289 364 R C -0.665 175.736 176.300 0.168 0.000 0.965 364 R CA -0.987 55.197 56.100 0.139 0.000 0.899 364 R CB 1.332 31.693 30.300 0.101 0.000 1.173 364 R HN 0.133 nan 8.270 nan 0.000 0.456 365 F N 2.925 122.894 119.950 0.031 0.000 2.472 365 F HA 0.226 4.753 4.527 0.000 0.000 0.364 365 F C -0.662 175.140 175.800 0.003 0.000 1.090 365 F CA -0.602 57.406 58.000 0.012 0.000 1.188 365 F CB 0.407 39.398 39.000 -0.014 0.000 1.105 365 F HN 0.381 nan 8.300 nan 0.000 0.536 366 C N 7.480 126.452 119.300 -0.546 0.000 2.563 366 C HA 0.576 5.037 4.460 0.000 0.000 0.314 366 C C -0.525 174.094 174.990 -0.618 0.000 1.199 366 C CA -1.094 57.624 59.018 -0.501 0.000 1.564 366 C CB 1.197 28.797 27.740 -0.233 0.000 2.173 366 C HN 0.531 nan 8.230 nan 0.000 0.485 367 I N 2.988 123.299 120.570 -0.433 0.000 2.339 367 I HA 0.273 4.444 4.170 0.000 0.000 0.290 367 I C 0.586 176.701 176.117 -0.002 0.000 0.994 367 I CA 0.030 61.205 61.300 -0.208 0.000 1.191 367 I CB 0.417 38.387 38.000 -0.051 0.000 1.343 367 I HN 0.912 nan 8.210 nan 0.000 0.458 368 N N 4.714 123.385 118.700 -0.049 0.000 2.727 368 N HA -0.236 4.504 4.740 0.000 0.000 0.249 368 N C 1.069 176.181 175.510 -0.663 0.000 1.048 368 N CA 0.447 53.438 53.050 -0.098 0.000 0.714 368 N CB -0.800 37.747 38.487 0.100 0.000 0.959 368 N HN 1.116 nan 8.380 nan 0.000 0.544 369 G N -1.899 106.307 108.800 -0.991 0.000 2.168 369 G HA2 -0.339 3.621 3.960 0.000 0.000 0.263 369 G HA3 -0.339 3.621 3.960 0.000 0.000 0.263 369 G C 0.087 174.729 174.900 -0.429 0.000 0.977 369 G CA 0.494 44.937 45.100 -1.095 0.000 0.659 369 G HN 0.436 nan 8.290 nan 0.000 0.533 370 V N 2.717 122.470 119.914 -0.268 0.000 2.384 370 V HA 0.482 4.602 4.120 0.000 0.000 0.287 370 V C -1.617 174.403 176.094 -0.122 0.000 1.020 370 V CA -1.765 60.429 62.300 -0.177 0.000 0.850 370 V CB 1.930 33.581 31.823 -0.287 0.000 0.987 370 V HN 0.182 nan 8.190 nan 0.000 0.436 371 P HA 0.164 nan 4.420 nan 0.000 0.267 371 P C -0.597 176.736 177.300 0.055 0.000 1.205 371 P CA 0.272 63.370 63.100 -0.003 0.000 0.765 371 P CB 1.398 33.129 31.700 0.053 0.000 0.828 372 V N 2.231 122.151 119.914 0.011 0.000 2.769 372 V HA 0.505 4.625 4.120 0.000 0.000 0.312 372 V C -0.355 175.807 176.094 0.114 0.000 1.061 372 V CA -1.283 61.063 62.300 0.078 0.000 0.931 372 V CB 1.810 33.668 31.823 0.058 0.000 1.010 372 V HN 0.261 nan 8.190 nan 0.000 0.433 373 L N 3.832 125.111 121.223 0.093 0.000 2.319 373 L HA 0.419 4.759 4.340 0.000 0.000 0.280 373 L C -0.127 176.792 176.870 0.082 0.000 1.099 373 L CA -0.530 54.350 54.840 0.066 0.000 0.828 373 L CB 1.581 43.682 42.059 0.070 0.000 1.150 373 L HN 0.576 nan 8.230 nan 0.000 0.442 374 V N 4.710 124.640 119.914 0.027 0.000 2.372 374 V HA 0.102 4.222 4.120 0.000 0.000 0.261 374 V C 0.314 176.405 176.094 -0.006 0.000 1.055 374 V CA -0.345 61.963 62.300 0.012 0.000 0.930 374 V CB 0.420 32.193 31.823 -0.084 0.000 1.031 374 V HN 0.641 nan 8.190 nan 0.000 0.479 375 K N 4.598 124.879 120.400 -0.197 0.000 2.360 375 K HA 0.548 4.868 4.320 0.000 0.000 0.235 375 K C 0.483 176.816 176.600 -0.444 0.000 1.077 375 K CA -0.158 55.643 56.287 -0.809 0.000 1.035 375 K CB 1.427 33.077 32.500 -1.417 0.000 1.623 375 K HN 0.807 nan 8.250 nan 0.000 0.462 376 G N -0.082 108.717 108.800 -0.002 0.000 3.108 376 G HA2 0.578 4.538 3.960 0.000 0.000 0.268 376 G HA3 0.578 4.538 3.960 0.000 0.000 0.268 376 G C -1.042 174.020 174.900 0.270 0.000 1.361 376 G CA -0.371 44.809 45.100 0.133 0.000 1.047 376 G HN 0.216 nan 8.290 nan 0.000 0.540 377 T N -0.764 113.884 114.554 0.157 0.000 2.932 377 T HA 0.405 4.755 4.350 0.000 0.000 0.318 377 T C -1.183 173.543 174.700 0.044 0.000 1.265 377 T CA -0.778 61.398 62.100 0.127 0.000 1.036 377 T CB 1.378 70.340 68.868 0.156 0.000 1.209 377 T HN 0.417 nan 8.240 nan 0.000 0.484 378 N N 2.139 120.827 118.700 -0.019 0.000 2.463 378 N HA 0.501 5.241 4.740 0.000 0.000 0.270 378 N C -0.423 174.966 175.510 -0.200 0.000 1.205 378 N CA -0.418 52.555 53.050 -0.128 0.000 0.974 378 N CB 1.249 39.615 38.487 -0.202 0.000 1.197 378 N HN 0.571 nan 8.380 nan 0.000 0.504 379 R N 1.128 121.471 120.500 -0.262 0.000 2.515 379 R HA 0.243 4.583 4.340 0.000 0.000 0.278 379 R C -1.548 174.566 176.300 -0.310 0.000 1.107 379 R CA -0.500 55.475 56.100 -0.207 0.000 0.945 379 R CB 0.801 30.981 30.300 -0.200 0.000 1.219 379 R HN 0.649 nan 8.270 nan 0.000 0.434 380 H N 1.021 119.973 119.070 -0.197 0.000 2.544 380 H HA 0.270 4.826 4.556 0.000 0.000 0.342 380 H C -0.526 174.820 175.328 0.030 0.000 1.185 380 H CA -0.256 55.751 56.048 -0.067 0.000 1.264 380 H CB 1.573 31.361 29.762 0.044 0.000 1.607 380 H HN 0.416 nan 8.280 nan 0.000 0.550 381 E N 1.409 121.823 120.200 0.358 0.000 2.152 381 E HA 0.179 4.529 4.350 0.000 0.000 0.285 381 E C -0.993 175.773 176.600 0.277 0.000 1.043 381 E CA -0.121 56.408 56.400 0.215 0.000 0.839 381 E CB 0.786 30.624 29.700 0.231 0.000 1.069 381 E HN 0.438 nan 8.360 nan 0.000 0.399 382 H N 1.191 120.299 119.070 0.062 0.000 3.029 382 H HA 0.375 4.931 4.556 0.000 0.000 0.358 382 H C -1.283 174.038 175.328 -0.012 0.000 1.129 382 H CA -0.411 55.656 56.048 0.030 0.000 1.230 382 H CB 1.256 31.011 29.762 -0.012 0.000 1.827 382 H HN 0.498 nan 8.280 nan 0.000 0.530 383 S N 2.926 118.222 115.700 -0.673 0.000 2.672 383 S HA 0.151 4.621 4.470 0.000 0.000 0.271 383 S C 0.011 174.369 174.600 -0.403 0.000 1.171 383 S CA -0.913 57.037 58.200 -0.417 0.000 0.817 383 S CB 1.625 64.725 63.200 -0.168 0.000 1.150 383 S HN 0.565 nan 8.310 nan 0.000 0.478 384 Q N 0.298 120.025 119.800 -0.122 0.000 2.364 384 Q HA 0.169 4.509 4.340 0.000 0.000 0.207 384 Q C 1.577 177.578 176.000 0.001 0.000 0.970 384 Q CA 0.990 56.831 55.803 0.065 0.000 0.888 384 Q CB -0.685 28.088 28.738 0.058 0.000 0.951 384 Q HN 0.690 nan 8.270 nan 0.000 0.469 385 L N -1.126 120.061 121.223 -0.060 0.000 2.558 385 L HA 0.145 4.485 4.340 0.000 0.000 0.225 385 L C 1.188 178.010 176.870 -0.079 0.000 1.128 385 L CA 0.480 55.270 54.840 -0.083 0.000 0.868 385 L CB -0.223 41.795 42.059 -0.069 0.000 1.006 385 L HN 0.278 nan 8.230 nan 0.000 0.454 386 G N 0.578 109.366 108.800 -0.019 0.000 2.545 386 G HA2 -0.282 3.678 3.960 0.000 0.000 0.211 386 G HA3 -0.282 3.678 3.960 0.000 0.000 0.211 386 G C 0.337 175.257 174.900 0.034 0.000 1.167 386 G CA 0.069 45.200 45.100 0.052 0.000 1.151 386 G HN 0.064 nan 8.290 nan 0.000 0.581 387 R N 1.275 121.812 120.500 0.063 0.000 2.235 387 R HA 0.238 4.578 4.340 0.000 0.000 0.213 387 R C 1.302 177.627 176.300 0.042 0.000 1.059 387 R CA 1.648 57.795 56.100 0.080 0.000 0.997 387 R CB -0.847 29.483 30.300 0.051 0.000 0.884 387 R HN 0.577 nan 8.270 nan 0.000 0.462 388 T N 0.469 115.026 114.554 0.005 0.000 2.834 388 T HA 0.289 4.639 4.350 0.000 0.000 0.298 388 T C -0.655 174.030 174.700 -0.025 0.000 0.966 388 T CA -0.184 61.916 62.100 -0.002 0.000 1.141 388 T CB 1.370 70.225 68.868 -0.021 0.000 0.905 388 T HN -0.161 nan 8.240 nan 0.000 0.535 389 V N 3.819 123.717 119.914 -0.026 0.000 2.531 389 V HA 0.440 4.560 4.120 0.000 0.000 0.301 389 V C 0.453 176.485 176.094 -0.104 0.000 1.034 389 V CA -1.084 61.183 62.300 -0.055 0.000 0.865 389 V CB 1.928 33.727 31.823 -0.040 0.000 0.995 389 V HN 1.077 nan 8.190 nan 0.000 0.424 390 S N 4.087 119.726 115.700 -0.101 0.000 2.614 390 S HA 0.306 4.777 4.470 0.000 0.000 0.265 390 S C 0.914 175.413 174.600 -0.168 0.000 1.303 390 S CA -0.456 57.659 58.200 -0.142 0.000 1.000 390 S CB 0.928 64.068 63.200 -0.101 0.000 0.935 390 S HN 0.677 nan 8.310 nan 0.000 0.551 391 K N 0.837 121.069 120.400 -0.280 0.000 2.097 391 K HA -0.141 4.180 4.320 0.000 0.000 0.206 391 K C 1.956 178.518 176.600 -0.062 0.000 1.049 391 K CA 1.860 57.934 56.287 -0.356 0.000 0.933 391 K CB -0.269 31.877 32.500 -0.591 0.000 0.717 391 K HN 0.671 nan 8.250 nan 0.000 0.442 392 E N 0.913 121.078 120.200 -0.058 0.000 2.072 392 E HA -0.071 4.279 4.350 0.000 0.000 0.191 392 E C 0.850 177.467 176.600 0.029 0.000 0.985 392 E CA 0.625 57.024 56.400 -0.003 0.000 0.801 392 E CB -0.100 29.586 29.700 -0.022 0.000 0.750 392 E HN 0.150 nan 8.360 nan 0.000 0.452 396 Q N 1.423 121.283 119.800 0.100 0.000 2.079 396 Q HA -0.178 4.162 4.340 0.000 0.000 0.200 396 Q C 1.102 177.197 176.000 0.159 0.000 0.974 396 Q CA 1.989 57.845 55.803 0.087 0.000 0.840 396 Q CB 0.180 28.964 28.738 0.077 0.000 0.898 396 Q HN 0.102 nan 8.270 nan 0.000 0.430 397 D N 0.662 121.192 120.400 0.216 0.000 2.092 397 D HA -0.191 4.449 4.640 0.000 0.000 0.193 397 D C 1.806 178.155 176.300 0.083 0.000 0.994 397 D CA 1.214 55.375 54.000 0.268 0.000 0.828 397 D CB -0.233 40.654 40.800 0.145 0.000 0.963 397 D HN 0.370 nan 8.370 nan 0.000 0.450 398 I N 0.342 121.014 120.570 0.169 0.000 2.394 398 I HA -0.208 3.962 4.170 0.000 0.000 0.251 398 I C 2.422 178.487 176.117 -0.086 0.000 1.136 398 I CA 0.816 62.132 61.300 0.026 0.000 1.425 398 I CB 0.104 38.101 38.000 -0.005 0.000 1.079 398 I HN -0.113 nan 8.210 nan 0.000 0.425 399 R N 0.794 121.246 120.500 -0.081 0.000 2.073 399 R HA -0.093 4.247 4.340 0.000 0.000 0.234 399 R C 1.189 177.443 176.300 -0.077 0.000 1.134 399 R CA 0.874 56.886 56.100 -0.148 0.000 0.952 399 R CB -0.300 29.912 30.300 -0.147 0.000 0.850 399 R HN 0.280 nan 8.270 nan 0.000 0.433 403 Q N 0.610 120.362 119.800 -0.080 0.000 2.226 403 Q HA -0.089 4.251 4.340 0.000 0.000 0.204 403 Q C 0.430 176.487 176.000 0.096 0.000 0.975 403 Q CA 1.424 57.122 55.803 -0.174 0.000 0.866 403 Q CB -0.137 28.207 28.738 -0.657 0.000 0.915 403 Q HN 0.397 nan 8.270 nan 0.000 0.440 404 H N 0.094 119.308 119.070 0.240 0.000 2.507 404 H HA 0.164 4.720 4.556 0.000 0.000 0.294 404 H C -0.391 175.060 175.328 0.205 0.000 1.064 404 H CA -0.279 55.926 56.048 0.262 0.000 1.138 404 H CB 0.194 30.111 29.762 0.260 0.000 1.515 404 H HN 0.160 nan 8.280 nan 0.000 0.547 405 N N 0.381 119.206 118.700 0.209 0.000 2.747 405 N HA -0.191 4.549 4.740 0.000 0.000 0.249 405 N C -0.657 174.918 175.510 0.109 0.000 1.107 405 N CA 0.636 53.764 53.050 0.130 0.000 0.707 405 N CB -1.507 37.029 38.487 0.081 0.000 1.054 405 N HN 0.476 nan 8.380 nan 0.000 0.555 406 I N 1.095 121.741 120.570 0.126 0.000 2.396 406 I HA 0.166 4.336 4.170 0.000 0.000 0.292 406 I C 0.841 176.921 176.117 -0.062 0.000 0.999 406 I CA -0.577 60.755 61.300 0.055 0.000 1.310 406 I CB 0.990 39.045 38.000 0.091 0.000 1.404 406 I HN 0.157 nan 8.210 nan 0.000 0.496 410 R N 4.602 125.137 120.500 0.059 0.000 2.295 410 R HA 0.509 4.849 4.340 0.000 0.000 0.324 410 R C -0.418 175.871 176.300 -0.018 0.000 0.968 410 R CA -0.648 55.480 56.100 0.048 0.000 0.837 410 R CB 1.048 31.379 30.300 0.052 0.000 1.133 410 R HN 0.798 nan 8.270 nan 0.000 0.450 411 N N 2.552 121.258 118.700 0.011 0.000 2.744 411 N HA -0.021 4.719 4.740 0.000 0.000 0.290 411 N C -0.757 174.554 175.510 -0.332 0.000 1.206 411 N CA 0.386 53.374 53.050 -0.103 0.000 1.119 411 N CB 0.732 39.252 38.487 0.055 0.000 1.449 411 N HN 0.473 nan 8.380 nan 0.000 0.514 412 S N 2.899 118.277 115.700 -0.537 0.000 3.350 412 S HA -0.162 4.308 4.470 0.000 0.000 0.391 412 S C 0.215 174.101 174.600 -1.189 0.000 0.887 412 S CA 0.197 57.822 58.200 -0.959 0.000 2.009 412 S CB -0.803 61.665 63.200 -1.219 0.000 1.135 412 S HN 0.522 nan 8.310 nan 0.000 0.653 413 H N -0.740 118.177 119.070 -0.255 0.000 2.862 413 H HA -0.208 4.348 4.556 0.000 0.000 0.290 413 H C -0.358 174.995 175.328 0.042 0.000 1.211 413 H CA 1.653 57.668 56.048 -0.056 0.000 1.140 413 H CB -2.945 26.900 29.762 0.139 0.000 1.341 413 H HN 0.909 nan 8.280 nan 0.000 0.392 414 Y N -6.336 114.102 120.300 0.231 0.000 2.755 414 Y HA 0.513 5.063 4.550 0.000 0.000 0.368 414 Y C -3.261 172.780 175.900 0.236 0.000 1.177 414 Y CA -2.505 55.735 58.100 0.232 0.000 1.290 414 Y CB 0.051 38.646 38.460 0.226 0.000 1.415 414 Y HN -0.192 nan 8.280 nan 0.000 0.501 415 P HA 0.253 nan 4.420 nan 0.000 0.269 415 P C -0.034 177.600 177.300 0.556 0.000 1.215 415 P CA 0.293 63.708 63.100 0.525 0.000 0.780 415 P CB 0.829 32.802 31.700 0.454 0.000 0.898 416 T N -1.518 113.346 114.554 0.516 0.000 2.910 416 T HA 0.250 4.601 4.350 0.000 0.000 0.279 416 T C 0.064 175.057 174.700 0.489 0.000 0.989 416 T CA -0.597 61.734 62.100 0.386 0.000 0.968 416 T CB 0.325 69.265 68.868 0.120 0.000 1.135 416 T HN 0.380 nan 8.240 nan 0.000 0.562 417 H N 2.260 121.526 119.070 0.326 0.000 2.972 417 H HA 0.099 4.656 4.556 0.000 0.000 0.343 417 H C -1.430 174.189 175.328 0.486 0.000 1.054 417 H CA -1.400 54.869 56.048 0.368 0.000 1.412 417 H CB 1.147 31.080 29.762 0.284 0.000 1.385 417 H HN 0.380 nan 8.280 nan 0.000 0.600 418 P HA -0.233 nan 4.420 nan 0.000 0.217 418 P C 1.354 179.040 177.300 0.643 0.000 1.148 418 P CA 1.341 64.757 63.100 0.527 0.000 0.828 418 P CB -0.198 31.553 31.700 0.086 0.000 0.783 419 Y N -0.382 120.332 120.300 0.691 0.000 2.207 419 Y HA -0.185 4.366 4.550 0.000 0.000 0.287 419 Y C 2.624 178.728 175.900 0.341 0.000 1.156 419 Y CA 1.440 59.808 58.100 0.446 0.000 1.182 419 Y CB -0.867 37.774 38.460 0.302 0.000 0.979 419 Y HN -0.014 nan 8.280 nan 0.000 0.521 420 W N -0.198 121.236 121.300 0.224 0.000 2.358 420 W HA -0.325 4.335 4.660 0.000 0.000 0.303 420 W C 1.332 177.735 176.519 -0.192 0.000 1.208 420 W CA 1.841 59.161 57.345 -0.042 0.000 1.274 420 W CB -0.574 28.797 29.460 -0.148 0.000 1.138 420 W HN 0.210 nan 8.180 nan 0.000 0.515 421 Y N 0.945 121.179 120.300 -0.111 0.000 2.242 421 Y HA -0.236 4.315 4.550 0.000 0.000 0.291 421 Y C 2.790 178.454 175.900 -0.394 0.000 1.137 421 Y CA 1.973 59.807 58.100 -0.444 0.000 1.181 421 Y CB -1.131 36.836 38.460 -0.821 0.000 0.989 421 Y HN 0.052 nan 8.280 nan 0.000 0.527 422 Q N -0.045 119.717 119.800 -0.063 0.000 2.084 422 Q HA -0.176 4.164 4.340 0.000 0.000 0.202 422 Q C 2.271 178.135 176.000 -0.226 0.000 0.978 422 Q CA 1.523 57.291 55.803 -0.058 0.000 0.844 422 Q CB -0.334 28.378 28.738 -0.044 0.000 0.898 422 Q HN 0.518 nan 8.270 nan 0.000 0.426 423 L N -0.319 120.699 121.223 -0.342 0.000 2.046 423 L HA -0.229 4.111 4.340 0.000 0.000 0.208 423 L C 2.584 179.293 176.870 -0.270 0.000 1.077 423 L CA 0.800 55.465 54.840 -0.291 0.000 0.747 423 L CB -0.478 41.460 42.059 -0.201 0.000 0.896 423 L HN 0.379 nan 8.230 nan 0.000 0.432 424 C N -0.263 118.781 119.300 -0.426 0.000 2.425 424 C HA -0.152 4.309 4.460 0.000 0.000 0.277 424 C C 2.419 177.386 174.990 -0.038 0.000 1.280 424 C CA 0.391 59.214 59.018 -0.325 0.000 1.744 424 C CB -0.814 26.634 27.740 -0.487 0.000 1.989 424 C HN 0.547 nan 8.230 nan 0.000 0.491 425 D N 0.270 120.646 120.400 -0.041 0.000 2.097 425 D HA -0.136 4.504 4.640 0.000 0.000 0.195 425 D C 2.301 178.704 176.300 0.171 0.000 0.989 425 D CA 1.132 55.187 54.000 0.092 0.000 0.827 425 D CB -0.498 40.311 40.800 0.015 0.000 0.966 425 D HN 0.517 nan 8.370 nan 0.000 0.456 426 R N -0.454 119.973 120.500 -0.121 0.000 2.075 426 R HA -0.138 4.202 4.340 0.000 0.000 0.232 426 R C 1.516 177.544 176.300 -0.453 0.000 1.126 426 R CA 1.169 57.056 56.100 -0.356 0.000 0.963 426 R CB -0.107 29.780 30.300 -0.689 0.000 0.858 426 R HN 0.207 nan 8.270 nan 0.000 0.435 427 Y N -0.569 119.697 120.300 -0.056 0.000 2.457 427 Y HA 0.361 4.911 4.550 0.000 0.000 0.263 427 Y C 0.580 176.382 175.900 -0.163 0.000 1.164 427 Y CA 0.151 58.186 58.100 -0.109 0.000 1.274 427 Y CB 0.819 39.200 38.460 -0.132 0.000 1.097 427 Y HN 0.307 nan 8.280 nan 0.000 0.523 428 G N 1.514 110.289 108.800 -0.043 0.000 2.788 428 G HA2 -0.095 3.865 3.960 0.000 0.000 0.249 428 G HA3 -0.095 3.865 3.960 0.000 0.000 0.249 428 G C -1.329 173.406 174.900 -0.276 0.000 1.008 428 G CA -0.428 44.519 45.100 -0.255 0.000 1.220 428 G HN 0.162 nan 8.290 nan 0.000 0.506 429 L N 2.386 123.521 121.223 -0.147 0.000 2.516 429 L HA 0.686 5.027 4.340 0.000 0.000 0.267 429 L C 0.054 176.901 176.870 -0.039 0.000 0.957 429 L CA -1.426 53.285 54.840 -0.215 0.000 0.860 429 L CB 1.032 42.971 42.059 -0.201 0.000 1.265 429 L HN 0.415 nan 8.230 nan 0.000 0.403 433 D N 4.790 125.314 120.400 0.206 0.000 2.341 433 D HA 0.348 4.988 4.640 0.000 0.000 0.245 433 D C -0.461 176.089 176.300 0.417 0.000 1.106 433 D CA 0.661 54.889 54.000 0.381 0.000 0.905 433 D CB 1.331 42.457 40.800 0.542 0.000 1.202 433 D HN 0.532 nan 8.370 nan 0.000 0.426 434 E N 0.843 121.271 120.200 0.379 0.000 2.292 434 E HA 0.605 4.955 4.350 0.000 0.000 0.272 434 E C -1.365 175.435 176.600 0.334 0.000 0.881 434 E CA -1.110 55.494 56.400 0.341 0.000 0.754 434 E CB 1.456 31.315 29.700 0.265 0.000 1.201 434 E HN 0.480 nan 8.360 nan 0.000 0.425 435 A N 3.279 126.282 122.820 0.306 0.000 2.462 435 A HA 0.104 4.424 4.320 0.000 0.000 0.243 435 A C 0.271 178.023 177.584 0.279 0.000 1.076 435 A CA -0.215 51.977 52.037 0.258 0.000 0.773 435 A CB 0.127 19.244 19.000 0.194 0.000 1.010 435 A HN 0.638 nan 8.150 nan 0.000 0.493 436 N N 1.689 120.556 118.700 0.278 0.000 2.892 436 N HA 0.184 4.924 4.740 0.000 0.000 0.300 436 N C -0.957 174.696 175.510 0.237 0.000 1.211 436 N CA 0.340 53.583 53.050 0.321 0.000 1.158 436 N CB -0.853 37.813 38.487 0.298 0.000 1.455 436 N HN 0.484 nan 8.380 nan 0.000 0.524 437 I N 1.130 121.844 120.570 0.239 0.000 2.503 437 I HA 0.235 4.405 4.170 0.000 0.000 0.282 437 I C -0.644 175.610 176.117 0.230 0.000 1.059 437 I CA -0.568 60.839 61.300 0.179 0.000 1.081 437 I CB 1.593 39.667 38.000 0.123 0.000 1.210 437 I HN 0.256 nan 8.210 nan 0.000 0.450 438 E N 4.448 124.773 120.200 0.210 0.000 2.317 438 E HA 0.331 4.681 4.350 0.000 0.000 0.270 438 E C -0.702 176.009 176.600 0.185 0.000 0.899 438 E CA -0.396 56.114 56.400 0.183 0.000 0.814 438 E CB 1.411 31.199 29.700 0.147 0.000 1.296 438 E HN 0.525 nan 8.360 nan 0.000 0.404 439 S N 3.093 118.908 115.700 0.193 0.000 2.457 439 S HA 0.126 4.597 4.470 0.000 0.000 0.237 439 S C 0.862 175.555 174.600 0.155 0.000 1.213 439 S CA -0.458 57.869 58.200 0.212 0.000 1.218 439 S CB -0.191 63.119 63.200 0.184 0.000 0.922 439 S HN 0.735 nan 8.310 nan 0.000 0.488 440 H N 1.618 120.655 119.070 -0.055 0.000 2.353 440 H HA -0.012 4.544 4.556 0.000 0.000 0.298 440 H C 1.608 176.752 175.328 -0.308 0.000 1.103 440 H CA 0.908 56.850 56.048 -0.176 0.000 1.293 440 H CB -0.312 29.317 29.762 -0.222 0.000 1.372 440 H HN 0.672 nan 8.280 nan 0.000 0.501 444 Y N 0.337 120.635 120.300 -0.004 0.000 2.467 444 Y HA 0.420 4.970 4.550 0.000 0.000 0.250 444 Y C 1.790 177.684 175.900 -0.010 0.000 1.155 444 Y CA -0.577 57.514 58.100 -0.015 0.000 1.249 444 Y CB 0.099 38.531 38.460 -0.048 0.000 1.146 444 Y HN 0.697 nan 8.280 nan 0.000 0.524 445 G N 1.805 110.665 108.800 0.100 0.000 2.489 445 G HA2 0.097 4.058 3.960 0.000 0.000 0.271 445 G HA3 0.097 4.058 3.960 0.000 0.000 0.271 445 G C -1.105 173.826 174.900 0.051 0.000 1.427 445 G CA -0.727 44.408 45.100 0.059 0.000 1.057 445 G HN -0.002 nan 8.290 nan 0.000 0.532 446 P HA -0.044 nan 4.420 nan 0.000 0.225 446 P C 1.204 178.517 177.300 0.021 0.000 1.148 446 P CA 1.537 64.653 63.100 0.027 0.000 0.779 446 P CB 0.131 31.842 31.700 0.018 0.000 0.780 447 A N -0.338 122.491 122.820 0.014 0.000 2.251 447 A HA 0.108 4.428 4.320 0.000 0.000 0.209 447 A C 1.318 178.898 177.584 -0.006 0.000 1.187 447 A CA 0.014 52.050 52.037 -0.001 0.000 0.823 447 A CB -0.809 18.187 19.000 -0.007 0.000 0.846 447 A HN 0.220 nan 8.150 nan 0.000 0.486 448 S N 0.002 115.719 115.700 0.028 0.000 2.546 448 S HA 0.190 4.660 4.470 0.000 0.000 0.290 448 S C 1.070 175.675 174.600 0.007 0.000 1.290 448 S CA -0.413 57.820 58.200 0.056 0.000 1.069 448 S CB -0.007 63.272 63.200 0.132 0.000 0.846 448 S HN 0.420 nan 8.310 nan 0.000 0.495 449 L N 4.262 125.458 121.223 -0.046 0.000 2.549 449 L HA -0.033 4.307 4.340 0.000 0.000 0.229 449 L C 2.468 179.333 176.870 -0.009 0.000 1.158 449 L CA 0.858 55.597 54.840 -0.169 0.000 0.842 449 L CB -0.787 41.001 42.059 -0.452 0.000 0.952 449 L HN 0.840 nan 8.230 nan 0.000 0.452 450 A N 0.323 123.202 122.820 0.099 0.000 2.067 450 A HA -0.094 4.226 4.320 0.000 0.000 0.217 450 A C 2.148 179.736 177.584 0.008 0.000 1.156 450 A CA 0.911 53.008 52.037 0.099 0.000 0.683 450 A CB -0.059 19.170 19.000 0.382 0.000 0.808 450 A HN 0.363 nan 8.150 nan 0.000 0.455 451 K N -0.366 120.052 120.400 0.028 0.000 2.353 451 K HA 0.067 4.388 4.320 0.000 0.000 0.195 451 K C -0.361 176.251 176.600 0.019 0.000 1.031 451 K CA -0.011 56.291 56.287 0.025 0.000 1.079 451 K CB 0.406 32.930 32.500 0.040 0.000 0.857 451 K HN 0.215 nan 8.250 nan 0.000 0.535 452 D N 1.479 121.892 120.400 0.022 0.000 2.380 452 D HA 0.019 4.659 4.640 0.000 0.000 0.230 452 D C 0.951 177.314 176.300 0.105 0.000 1.154 452 D CA -0.055 53.996 54.000 0.084 0.000 0.859 452 D CB 1.300 42.186 40.800 0.142 0.000 1.045 452 D HN 0.089 nan 8.370 nan 0.000 0.495 453 S N 1.737 117.475 115.700 0.064 0.000 2.419 453 S HA -0.232 4.238 4.470 0.000 0.000 0.235 453 S C 1.816 176.442 174.600 0.044 0.000 1.019 453 S CA 1.632 59.855 58.200 0.038 0.000 0.982 453 S CB -0.678 62.541 63.200 0.032 0.000 0.789 453 S HN 0.567 nan 8.310 nan 0.000 0.490 454 T N -3.639 110.949 114.554 0.057 0.000 3.051 454 T HA -0.020 4.331 4.350 0.000 0.000 0.269 454 T C 0.862 175.326 174.700 -0.394 0.000 1.127 454 T CA 0.486 62.523 62.100 -0.105 0.000 1.107 454 T CB -0.684 68.111 68.868 -0.121 0.000 0.898 454 T HN 0.647 nan 8.240 nan 0.000 0.517 455 W N 0.400 121.593 121.300 -0.179 0.000 3.239 455 W HA 0.502 5.162 4.660 0.000 0.000 0.348 455 W C 1.752 178.259 176.519 -0.021 0.000 1.183 455 W CA -1.022 56.256 57.345 -0.111 0.000 1.819 455 W CB 0.004 29.480 29.460 0.026 0.000 1.091 455 W HN 0.109 nan 8.180 nan 0.000 0.629 456 L N 0.414 121.658 121.223 0.035 0.000 2.046 456 L HA -0.164 4.176 4.340 0.000 0.000 0.208 456 L C 1.717 178.561 176.870 -0.043 0.000 1.077 456 L CA 2.058 56.876 54.840 -0.038 0.000 0.747 456 L CB -1.164 40.857 42.059 -0.064 0.000 0.896 456 L HN -0.077 nan 8.230 nan 0.000 0.432 457 T N 0.781 115.294 114.554 -0.068 0.000 2.684 457 T HA -0.190 4.160 4.350 0.000 0.000 0.267 457 T C 1.968 176.608 174.700 -0.099 0.000 1.036 457 T CA 1.733 63.777 62.100 -0.093 0.000 1.148 457 T CB -0.368 68.471 68.868 -0.047 0.000 0.863 457 T HN 0.564 nan 8.240 nan 0.000 0.436 458 A N 1.143 123.929 122.820 -0.056 0.000 1.902 458 A HA -0.028 4.292 4.320 0.000 0.000 0.217 458 A C 1.156 178.727 177.584 -0.022 0.000 1.181 458 A CA 1.128 53.160 52.037 -0.010 0.000 0.623 458 A CB -0.761 18.292 19.000 0.088 0.000 0.818 458 A HN 0.567 nan 8.150 nan 0.000 0.443 462 R N 0.164 120.593 120.500 -0.119 0.000 2.096 462 R HA 0.035 4.375 4.340 0.000 0.000 0.235 462 R C 1.690 177.981 176.300 -0.016 0.000 1.127 462 R CA 2.054 58.132 56.100 -0.036 0.000 0.968 462 R CB -0.301 29.996 30.300 -0.005 0.000 0.861 462 R HN 0.203 nan 8.270 nan 0.000 0.440 463 T N -0.610 113.901 114.554 -0.071 0.000 2.812 463 T HA -0.102 4.248 4.350 0.000 0.000 0.264 463 T C 1.453 176.192 174.700 0.064 0.000 1.042 463 T CA 1.143 63.245 62.100 0.003 0.000 1.140 463 T CB -0.251 68.606 68.868 -0.018 0.000 0.870 463 T HN 0.457 nan 8.240 nan 0.000 0.445 464 H N 0.711 119.609 119.070 -0.285 0.000 2.353 464 H HA 0.065 4.621 4.556 0.000 0.000 0.300 464 H C 1.439 176.720 175.328 -0.078 0.000 1.090 464 H CA 0.403 56.262 56.048 -0.315 0.000 1.327 464 H CB 0.196 29.667 29.762 -0.485 0.000 1.383 464 H HN 0.214 nan 8.280 nan 0.000 0.508 468 E N 2.341 122.430 120.200 -0.186 0.000 2.097 468 E HA -0.221 4.129 4.350 0.000 0.000 0.196 468 E C 1.967 178.338 176.600 -0.382 0.000 1.000 468 E CA 2.020 58.245 56.400 -0.292 0.000 0.804 468 E CB -0.464 29.165 29.700 -0.119 0.000 0.740 468 E HN 0.719 nan 8.360 nan 0.000 0.454 469 R N 0.343 120.634 120.500 -0.349 0.000 2.189 469 R HA 0.046 4.386 4.340 0.000 0.000 0.223 469 R C 1.242 177.406 176.300 -0.226 0.000 1.092 469 R CA 1.449 57.301 56.100 -0.414 0.000 0.989 469 R CB 0.012 30.093 30.300 -0.365 0.000 0.876 469 R HN -0.076 nan 8.270 nan 0.000 0.457 470 S N 0.310 115.913 115.700 -0.161 0.000 2.847 470 S HA 0.100 4.570 4.470 0.000 0.000 0.254 470 S C 0.713 175.346 174.600 0.055 0.000 1.039 470 S CA -0.329 57.866 58.200 -0.008 0.000 1.113 470 S CB 0.979 64.051 63.200 -0.214 0.000 1.092 470 S HN 0.434 nan 8.310 nan 0.000 0.620 471 K N 2.184 122.497 120.400 -0.145 0.000 2.218 471 K HA -0.056 4.264 4.320 0.000 0.000 0.205 471 K C 0.916 177.436 176.600 -0.134 0.000 1.046 471 K CA 1.599 57.793 56.287 -0.154 0.000 0.933 471 K CB -0.324 31.788 32.500 -0.646 0.000 0.728 471 K HN 0.099 nan 8.250 nan 0.000 0.454 472 N N 0.436 118.985 118.700 -0.251 0.000 2.336 472 N HA -0.021 4.720 4.740 0.000 0.000 0.189 472 N C -0.460 174.862 175.510 -0.314 0.000 1.113 472 N CA 0.214 53.098 53.050 -0.276 0.000 0.858 472 N CB 0.047 38.352 38.487 -0.303 0.000 0.970 472 N HN 0.311 nan 8.380 nan 0.000 0.471 473 H N 1.854 120.819 119.070 -0.175 0.000 2.878 473 H HA 0.067 4.623 4.556 0.000 0.000 0.290 473 H C -1.122 174.017 175.328 -0.315 0.000 1.065 473 H CA -1.019 54.909 56.048 -0.200 0.000 1.477 473 H CB 1.315 31.001 29.762 -0.127 0.000 1.484 473 H HN 0.102 nan 8.280 nan 0.000 0.504 474 P HA -0.119 nan 4.420 nan 0.000 0.220 474 P C 1.233 178.027 177.300 -0.843 0.000 1.148 474 P CA 0.954 63.655 63.100 -0.665 0.000 0.803 474 P CB 0.277 31.387 31.700 -0.984 0.000 0.782 475 A N 0.333 122.768 122.820 -0.643 0.000 1.972 475 A HA -0.064 4.256 4.320 0.000 0.000 0.219 475 A C 1.551 179.100 177.584 -0.058 0.000 1.169 475 A CA 0.536 52.398 52.037 -0.293 0.000 0.635 475 A CB -1.226 17.737 19.000 -0.061 0.000 0.810 475 A HN 0.165 nan 8.150 nan 0.000 0.446 476 I N 1.372 121.867 120.570 -0.124 0.000 2.505 476 I HA 0.036 4.206 4.170 0.000 0.000 0.287 476 I C 1.211 177.197 176.117 -0.218 0.000 1.104 476 I CA -0.100 61.095 61.300 -0.176 0.000 1.387 476 I CB 1.304 39.089 38.000 -0.360 0.000 1.404 476 I HN 0.222 nan 8.210 nan 0.000 0.528 477 V N 5.364 125.215 119.914 -0.105 0.000 3.635 477 V HA 0.366 4.486 4.120 0.000 0.000 0.266 477 V C 0.444 176.490 176.094 -0.080 0.000 1.316 477 V CA 0.240 62.524 62.300 -0.026 0.000 1.060 477 V CB 0.451 32.383 31.823 0.182 0.000 0.820 477 V HN 0.468 nan 8.190 nan 0.000 0.447 478 I N 0.007 120.473 120.570 -0.174 0.000 2.619 478 I HA 0.470 4.640 4.170 0.000 0.000 0.292 478 I C -1.471 174.581 176.117 -0.107 0.000 1.100 478 I CA -1.228 59.995 61.300 -0.127 0.000 1.043 478 I CB 1.711 39.651 38.000 -0.100 0.000 1.239 478 I HN 0.259 nan 8.210 nan 0.000 0.420 479 W N 3.659 125.035 121.300 0.126 0.000 2.390 479 W HA 0.522 5.182 4.660 0.000 0.000 0.312 479 W C 0.575 177.189 176.519 0.159 0.000 1.123 479 W CA -0.648 56.791 57.345 0.157 0.000 1.202 479 W CB 1.647 31.207 29.460 0.167 0.000 1.251 479 W HN 0.447 nan 8.180 nan 0.000 0.511 480 S N 2.037 118.008 115.700 0.452 0.000 2.478 480 S HA 0.168 4.638 4.470 0.000 0.000 0.312 480 S C 0.588 175.393 174.600 0.342 0.000 1.094 480 S CA -0.557 57.849 58.200 0.344 0.000 1.081 480 S CB 1.313 64.683 63.200 0.283 0.000 1.007 480 S HN 0.637 nan 8.310 nan 0.000 0.475 481 Q N 2.684 122.666 119.800 0.303 0.000 2.436 481 Q HA 0.239 4.579 4.340 0.000 0.000 0.209 481 Q C 1.036 177.177 176.000 0.234 0.000 0.965 481 Q CA 0.600 56.544 55.803 0.235 0.000 0.910 481 Q CB 0.124 28.970 28.738 0.180 0.000 0.980 481 Q HN 0.927 nan 8.270 nan 0.000 0.491 482 G N 0.358 109.313 108.800 0.257 0.000 2.350 482 G HA2 0.036 3.997 3.960 0.000 0.000 0.276 482 G HA3 0.036 3.997 3.960 0.000 0.000 0.276 482 G C -1.900 173.202 174.900 0.337 0.000 1.313 482 G CA -0.815 44.458 45.100 0.288 0.000 0.903 482 G HN 0.110 nan 8.290 nan 0.000 0.490 483 N N 0.621 119.472 118.700 0.252 0.000 2.324 483 N HA 0.437 5.177 4.740 0.000 0.000 0.285 483 N C 0.084 175.582 175.510 -0.020 0.000 1.076 483 N CA 0.116 53.198 53.050 0.054 0.000 0.864 483 N CB 1.453 39.731 38.487 -0.348 0.000 1.632 483 N HN 0.973 nan 8.380 nan 0.000 0.478 484 E N 1.234 121.340 120.200 -0.156 0.000 1.867 484 E HA -0.282 4.069 4.350 0.000 0.000 0.164 484 E C -0.660 175.965 176.600 0.042 0.000 1.355 484 E CA 0.817 57.089 56.400 -0.212 0.000 0.575 484 E CB -1.429 28.042 29.700 -0.383 0.000 1.037 484 E HN 0.492 nan 8.360 nan 0.000 0.286 485 A N 1.515 124.422 122.820 0.145 0.000 2.589 485 A HA 0.584 4.904 4.320 0.000 0.000 0.283 485 A C 1.018 178.805 177.584 0.337 0.000 1.187 485 A CA 0.602 52.825 52.037 0.311 0.000 0.957 485 A CB 0.562 19.852 19.000 0.483 0.000 1.175 485 A HN 1.425 nan 8.150 nan 0.000 0.532 486 G N 0.080 108.954 108.800 0.122 0.000 2.828 486 G HA2 -0.049 3.911 3.960 0.000 0.000 0.463 486 G HA3 -0.049 3.911 3.960 0.000 0.000 0.463 486 G C -0.652 174.249 174.900 0.002 0.000 1.394 486 G CA -0.088 45.036 45.100 0.040 0.000 0.862 486 G HN 1.073 nan 8.290 nan 0.000 0.540 487 N N -0.258 118.449 118.700 0.012 0.000 2.229 487 N HA 0.861 5.602 4.740 0.000 0.000 0.298 487 N C 0.347 175.929 175.510 0.121 0.000 1.114 487 N CA 1.381 54.472 53.050 0.068 0.000 0.776 487 N CB 1.833 40.278 38.487 -0.071 0.000 1.501 487 N HN 2.119 nan 8.380 nan 0.000 0.474 488 G N 1.055 109.954 108.800 0.165 0.000 2.344 488 G HA2 0.033 3.993 3.960 0.000 0.000 0.282 488 G HA3 0.033 3.993 3.960 0.000 0.000 0.282 488 G C 0.205 175.170 174.900 0.109 0.000 1.281 488 G CA -0.238 44.930 45.100 0.113 0.000 0.877 488 G HN 0.570 nan 8.290 nan 0.000 0.494 489 I N 0.981 121.590 120.570 0.064 0.000 2.185 489 I HA -0.186 3.984 4.170 0.000 0.000 0.246 489 I C 2.200 178.313 176.117 -0.007 0.000 1.088 489 I CA 2.704 64.031 61.300 0.044 0.000 1.347 489 I CB -0.561 37.455 38.000 0.025 0.000 1.041 489 I HN 0.581 nan 8.210 nan 0.000 0.415 490 N N -0.833 117.799 118.700 -0.113 0.000 2.166 490 N HA -0.194 4.546 4.740 0.000 0.000 0.186 490 N C 1.643 176.962 175.510 -0.318 0.000 1.019 490 N CA 1.329 54.185 53.050 -0.322 0.000 0.856 490 N CB -0.251 37.776 38.487 -0.767 0.000 0.993 490 N HN 0.281 nan 8.380 nan 0.000 0.426 491 F N 1.228 121.118 119.950 -0.101 0.000 2.512 491 F HA 0.064 4.591 4.527 0.000 0.000 0.296 491 F C 2.139 177.944 175.800 0.008 0.000 1.110 491 F CA 0.565 58.524 58.000 -0.069 0.000 1.446 491 F CB 0.062 38.993 39.000 -0.115 0.000 1.092 491 F HN 0.016 nan 8.300 nan 0.000 0.554 492 E N -0.153 120.145 120.200 0.162 0.000 2.072 492 E HA -0.121 4.229 4.350 0.000 0.000 0.190 492 E C 2.255 179.001 176.600 0.244 0.000 0.982 492 E CA 0.730 57.231 56.400 0.169 0.000 0.803 492 E CB 0.022 29.836 29.700 0.189 0.000 0.755 492 E HN 0.333 nan 8.360 nan 0.000 0.453 493 R N 0.051 120.637 120.500 0.143 0.000 2.073 493 R HA -0.075 4.265 4.340 0.000 0.000 0.229 493 R C 2.631 179.021 176.300 0.150 0.000 1.120 493 R CA 1.770 57.947 56.100 0.127 0.000 0.967 493 R CB -0.453 29.870 30.300 0.039 0.000 0.862 493 R HN 0.259 nan 8.270 nan 0.000 0.436 494 T N -1.757 112.853 114.554 0.092 0.000 2.951 494 T HA -0.173 4.178 4.350 0.000 0.000 0.268 494 T C 1.761 176.602 174.700 0.236 0.000 1.073 494 T CA 0.820 62.999 62.100 0.131 0.000 1.134 494 T CB -0.369 68.498 68.868 -0.002 0.000 0.884 494 T HN 0.304 nan 8.240 nan 0.000 0.479 495 Y N 2.468 122.844 120.300 0.127 0.000 2.184 495 Y HA -0.028 4.522 4.550 0.000 0.000 0.290 495 Y C 1.855 177.832 175.900 0.129 0.000 1.129 495 Y CA 1.621 59.794 58.100 0.121 0.000 1.144 495 Y CB -0.469 38.034 38.460 0.071 0.000 0.995 495 Y HN 0.091 nan 8.280 nan 0.000 0.513 496 D N -0.379 120.162 120.400 0.235 0.000 2.123 496 D HA -0.238 4.402 4.640 0.000 0.000 0.196 496 D C 1.731 178.037 176.300 0.011 0.000 0.992 496 D CA 1.592 55.672 54.000 0.134 0.000 0.833 496 D CB -0.929 40.012 40.800 0.234 0.000 0.954 496 D HN 0.604 nan 8.370 nan 0.000 0.455 497 W N 1.407 122.668 121.300 -0.065 0.000 2.355 497 W HA -0.117 4.543 4.660 0.000 0.000 0.309 497 W C 2.042 178.425 176.519 -0.226 0.000 1.206 497 W CA 1.156 58.435 57.345 -0.109 0.000 1.284 497 W CB -0.586 28.847 29.460 -0.045 0.000 1.145 497 W HN -0.067 nan 8.180 nan 0.000 0.502 498 L N 0.807 121.826 121.223 -0.340 0.000 2.042 498 L HA -0.280 4.061 4.340 0.000 0.000 0.210 498 L C 2.636 179.144 176.870 -0.603 0.000 1.076 498 L CA 1.453 55.903 54.840 -0.650 0.000 0.749 498 L CB -0.811 41.065 42.059 -0.304 0.000 0.893 498 L HN -0.138 nan 8.230 nan 0.000 0.432 499 K N -0.184 119.924 120.400 -0.486 0.000 2.211 499 K HA -0.102 4.219 4.320 0.000 0.000 0.203 499 K C 2.301 178.709 176.600 -0.320 0.000 1.050 499 K CA 1.568 57.632 56.287 -0.372 0.000 0.945 499 K CB -0.485 31.793 32.500 -0.370 0.000 0.732 499 K HN 0.452 nan 8.250 nan 0.000 0.451 500 S N 0.604 116.067 115.700 -0.394 0.000 2.406 500 S HA -0.083 4.387 4.470 0.000 0.000 0.228 500 S C 2.075 176.415 174.600 -0.433 0.000 1.020 500 S CA 1.079 59.070 58.200 -0.347 0.000 0.965 500 S CB -0.488 62.531 63.200 -0.302 0.000 0.798 500 S HN 0.115 nan 8.310 nan 0.000 0.488 501 V N -1.501 117.991 119.914 -0.703 0.000 3.307 501 V HA 0.423 4.543 4.120 0.000 0.000 0.253 501 V C 0.532 176.391 176.094 -0.393 0.000 1.149 501 V CA 0.464 62.370 62.300 -0.656 0.000 1.112 501 V CB -0.594 30.528 31.823 -1.169 0.000 0.777 501 V HN 0.348 nan 8.190 nan 0.000 0.464 502 E N 1.327 121.314 120.200 -0.356 0.000 2.114 502 E HA 0.403 4.753 4.350 0.000 0.000 0.266 502 E C 0.332 176.921 176.600 -0.020 0.000 0.896 502 E CA -0.342 56.023 56.400 -0.058 0.000 0.750 502 E CB 1.210 30.968 29.700 0.097 0.000 1.121 502 E HN 0.189 nan 8.360 nan 0.000 0.413 503 K N 2.915 123.323 120.400 0.014 0.000 2.387 503 K HA 0.289 4.610 4.320 0.000 0.000 0.203 503 K C 0.672 177.304 176.600 0.052 0.000 1.030 503 K CA 0.394 56.692 56.287 0.018 0.000 1.099 503 K CB 1.515 34.014 32.500 -0.001 0.000 0.863 503 K HN 0.478 nan 8.250 nan 0.000 0.529 504 G N 0.876 109.722 108.800 0.077 0.000 3.839 504 G HA2 0.186 4.146 3.960 0.000 0.000 0.286 504 G HA3 0.186 4.146 3.960 0.000 0.000 0.286 504 G C -0.071 174.877 174.900 0.081 0.000 1.005 504 G CA -0.275 44.869 45.100 0.074 0.000 0.824 504 G HN -0.018 nan 8.290 nan 0.000 0.489 505 R N 0.206 120.773 120.500 0.112 0.000 2.535 505 R HA 0.325 4.665 4.340 0.000 0.000 0.274 505 R C -3.183 173.211 176.300 0.156 0.000 1.090 505 R CA -1.456 54.700 56.100 0.094 0.000 0.930 505 R CB 2.502 32.778 30.300 -0.040 0.000 1.223 505 R HN -0.038 nan 8.270 nan 0.000 0.441 506 P HA 0.127 nan 4.420 nan 0.000 0.272 506 P C -0.862 176.565 177.300 0.211 0.000 1.223 506 P CA -0.424 62.784 63.100 0.181 0.000 0.784 506 P CB 0.748 32.553 31.700 0.174 0.000 0.923 507 V N 2.726 122.789 119.914 0.248 0.000 2.444 507 V HA 0.379 4.499 4.120 0.000 0.000 0.294 507 V C 0.110 176.402 176.094 0.329 0.000 1.022 507 V CA -0.374 62.113 62.300 0.312 0.000 0.850 507 V CB 1.081 33.045 31.823 0.235 0.000 0.992 507 V HN 0.594 nan 8.190 nan 0.000 0.426 508 Q N 3.865 123.830 119.800 0.276 0.000 2.416 508 Q HA 0.801 5.141 4.340 0.000 0.000 0.279 508 Q C -1.855 174.309 176.000 0.273 0.000 1.101 508 Q CA -0.985 54.943 55.803 0.208 0.000 0.830 508 Q CB 3.052 31.844 28.738 0.091 0.000 1.402 508 Q HN 0.589 nan 8.270 nan 0.000 0.445 509 Y N 0.384 120.678 120.300 -0.011 0.000 2.299 509 Y HA 0.133 4.683 4.550 0.000 0.000 0.318 509 Y C 0.114 175.906 175.900 -0.180 0.000 1.205 509 Y CA -0.995 57.052 58.100 -0.089 0.000 1.106 509 Y CB 1.795 40.184 38.460 -0.118 0.000 1.246 509 Y HN 0.977 nan 8.280 nan 0.000 0.415 510 E N 3.548 123.425 120.200 -0.538 0.000 2.085 510 E HA -0.151 4.199 4.350 0.000 0.000 0.194 510 E C 1.055 177.172 176.600 -0.804 0.000 0.994 510 E CA 1.230 57.281 56.400 -0.582 0.000 0.801 510 E CB 0.345 29.796 29.700 -0.415 0.000 0.743 510 E HN 0.662 nan 8.360 nan 0.000 0.453 511 R N -0.296 119.377 120.500 -1.378 0.000 2.316 511 R HA 0.051 4.391 4.340 0.000 0.000 0.202 511 R C 1.772 177.629 176.300 -0.738 0.000 1.029 511 R CA 0.724 56.180 56.100 -1.074 0.000 1.018 511 R CB -0.356 29.267 30.300 -1.128 0.000 0.888 511 R HN 0.122 nan 8.270 nan 0.000 0.471 512 A N 0.738 123.151 122.820 -0.679 0.000 2.169 512 A HA -0.024 4.296 4.320 0.000 0.000 0.212 512 A C 0.743 178.178 177.584 -0.247 0.000 1.153 512 A CA 0.281 52.126 52.037 -0.319 0.000 0.756 512 A CB 0.040 18.920 19.000 -0.199 0.000 0.813 512 A HN 0.367 nan 8.150 nan 0.000 0.471 513 E N -1.294 118.744 120.200 -0.269 0.000 3.481 513 E HA -0.320 4.030 4.350 0.000 0.000 0.436 513 E C 0.469 177.044 176.600 -0.042 0.000 1.609 513 E CA 1.905 58.240 56.400 -0.109 0.000 1.448 513 E CB -1.174 28.469 29.700 -0.095 0.000 1.457 513 E HN 0.449 nan 8.360 nan 0.000 0.431 514 L N 1.497 122.669 121.223 -0.085 0.000 2.653 514 L HA 0.181 4.521 4.340 0.000 0.000 0.231 514 L C 0.386 177.218 176.870 -0.063 0.000 1.153 514 L CA -0.274 54.488 54.840 -0.130 0.000 0.933 514 L CB -0.370 41.561 42.059 -0.213 0.000 1.175 514 L HN 0.218 nan 8.230 nan 0.000 0.473 515 N N -0.662 117.996 118.700 -0.071 0.000 2.326 515 N HA -0.084 4.656 4.740 0.000 0.000 0.239 515 N C 0.931 176.418 175.510 -0.039 0.000 1.301 515 N CA -0.043 52.988 53.050 -0.031 0.000 0.909 515 N CB 0.257 38.700 38.487 -0.072 0.000 1.156 515 N HN 0.112 nan 8.380 nan 0.000 0.462 516 Y N 0.465 120.743 120.300 -0.036 0.000 2.207 516 Y HA -0.150 4.401 4.550 0.000 0.000 0.287 516 Y C 0.702 176.446 175.900 -0.259 0.000 1.156 516 Y CA 0.893 58.972 58.100 -0.036 0.000 1.182 516 Y CB -0.514 37.944 38.460 -0.003 0.000 0.979 516 Y HN 0.455 nan 8.280 nan 0.000 0.521 517 N N 1.439 119.317 118.700 -1.370 0.000 3.167 517 N HA 0.062 4.802 4.740 0.000 0.000 0.318 517 N C -0.624 174.291 175.510 -0.991 0.000 1.268 517 N CA 0.919 52.888 53.050 -1.803 0.000 1.197 517 N CB 0.076 37.695 38.487 -1.447 0.000 1.464 517 N HN 0.423 nan 8.380 nan 0.000 0.555 518 T N -0.840 113.385 114.554 -0.548 0.000 3.486 518 T HA 0.088 4.438 4.350 0.000 0.000 0.375 518 T C -0.987 173.750 174.700 0.062 0.000 1.459 518 T CA -0.584 61.478 62.100 -0.064 0.000 1.151 518 T CB 0.943 69.764 68.868 -0.078 0.000 1.336 518 T HN 0.034 nan 8.240 nan 0.000 0.477 519 D N 2.615 123.124 120.400 0.182 0.000 2.354 519 D HA 0.248 4.888 4.640 0.000 0.000 0.209 519 D C 0.544 176.878 176.300 0.056 0.000 1.015 519 D CA 0.436 54.532 54.000 0.160 0.000 0.867 519 D CB 0.492 41.428 40.800 0.227 0.000 0.933 519 D HN 0.439 nan 8.370 nan 0.000 0.520 520 I N 0.630 121.212 120.570 0.020 0.000 2.582 520 I HA 0.132 4.302 4.170 0.000 0.000 0.292 520 I C -0.800 175.290 176.117 -0.045 0.000 1.066 520 I CA -1.041 60.247 61.300 -0.019 0.000 1.053 520 I CB 1.680 39.646 38.000 -0.057 0.000 1.241 520 I HN -0.167 nan 8.210 nan 0.000 0.421 521 Y N 6.173 126.322 120.300 -0.252 0.000 2.452 521 Y HA 0.236 4.786 4.550 0.000 0.000 0.348 521 Y C 0.859 176.558 175.900 -0.334 0.000 0.985 521 Y CA -0.864 56.964 58.100 -0.454 0.000 1.214 521 Y CB 0.788 38.717 38.460 -0.884 0.000 1.136 521 Y HN 0.667 nan 8.280 nan 0.000 0.523 522 c N 5.625 123.908 118.600 -0.529 0.000 2.976 522 c HA 0.521 5.091 4.570 0.000 0.000 0.274 522 c C 0.892 174.742 174.090 -0.400 0.000 1.487 522 c CA -0.862 55.255 56.329 -0.352 0.000 1.789 522 c CB -1.507 40.882 42.510 -0.202 0.000 2.771 522 c HN 0.903 nan 8.230 nan 0.000 0.551 526 R N 1.648 122.274 120.500 0.210 0.000 2.641 526 R HA 0.388 4.729 4.340 0.000 0.000 0.269 526 R C 0.863 177.305 176.300 0.236 0.000 1.074 526 R CA 0.236 56.462 56.100 0.210 0.000 1.133 526 R CB 0.667 31.120 30.300 0.254 0.000 1.029 526 R HN 0.393 nan 8.270 nan 0.000 0.488 527 S N -0.241 115.543 115.700 0.141 0.000 2.634 527 S HA 0.090 4.561 4.470 0.000 0.000 0.261 527 S C 1.517 176.048 174.600 -0.115 0.000 1.271 527 S CA -0.809 57.400 58.200 0.016 0.000 0.985 527 S CB 0.669 63.863 63.200 -0.011 0.000 0.968 527 S HN 0.250 nan 8.310 nan 0.000 0.568 528 V N 1.196 120.907 119.914 -0.338 0.000 2.343 528 V HA -0.153 3.967 4.120 0.000 0.000 0.247 528 V C 2.221 178.217 176.094 -0.164 0.000 1.051 528 V CA 2.228 64.309 62.300 -0.366 0.000 1.036 528 V CB -1.056 30.511 31.823 -0.426 0.000 0.654 528 V HN 0.821 nan 8.190 nan 0.000 0.451 529 D N -0.034 120.304 120.400 -0.103 0.000 2.144 529 D HA -0.163 4.477 4.640 0.000 0.000 0.199 529 D C 2.213 178.530 176.300 0.029 0.000 0.984 529 D CA 1.296 55.275 54.000 -0.036 0.000 0.834 529 D CB -0.173 40.612 40.800 -0.025 0.000 0.955 529 D HN 0.580 nan 8.370 nan 0.000 0.465 530 E N 0.096 120.333 120.200 0.061 0.000 2.150 530 E HA -0.094 4.256 4.350 0.000 0.000 0.193 530 E C 2.137 178.903 176.600 0.277 0.000 0.985 530 E CA 0.275 56.770 56.400 0.158 0.000 0.814 530 E CB 0.164 29.968 29.700 0.174 0.000 0.752 530 E HN 0.244 nan 8.360 nan 0.000 0.466 531 I N 1.518 122.202 120.570 0.190 0.000 2.252 531 I HA -0.236 3.934 4.170 0.000 0.000 0.245 531 I C 2.058 178.331 176.117 0.259 0.000 1.102 531 I CA 1.445 62.881 61.300 0.227 0.000 1.385 531 I CB -0.793 37.136 38.000 -0.119 0.000 1.064 531 I HN 0.065 nan 8.210 nan 0.000 0.414 532 K N 1.009 121.474 120.400 0.107 0.000 2.057 532 K HA -0.092 4.228 4.320 0.000 0.000 0.207 532 K C 2.257 178.920 176.600 0.104 0.000 1.049 532 K CA 1.472 57.805 56.287 0.076 0.000 0.931 532 K CB -0.202 32.305 32.500 0.012 0.000 0.714 532 K HN 0.281 nan 8.250 nan 0.000 0.440 533 A N 0.788 123.682 122.820 0.125 0.000 1.933 533 A HA -0.217 4.103 4.320 0.000 0.000 0.218 533 A C 2.067 179.727 177.584 0.126 0.000 1.175 533 A CA 1.374 53.474 52.037 0.105 0.000 0.628 533 A CB -0.698 18.366 19.000 0.108 0.000 0.814 533 A HN 0.422 nan 8.150 nan 0.000 0.444 534 Y N -0.116 120.253 120.300 0.117 0.000 2.109 534 Y HA -0.116 4.434 4.550 0.000 0.000 0.285 534 Y C 2.430 178.361 175.900 0.052 0.000 1.131 534 Y CA 1.939 60.077 58.100 0.064 0.000 1.121 534 Y CB -0.662 37.888 38.460 0.150 0.000 0.987 534 Y HN 0.076 nan 8.280 nan 0.000 0.495 535 V N 0.387 120.331 119.914 0.050 0.000 2.867 535 V HA -0.141 3.979 4.120 0.000 0.000 0.260 535 V C 1.890 177.914 176.094 -0.117 0.000 1.099 535 V CA 2.054 64.311 62.300 -0.072 0.000 1.122 535 V CB -1.046 30.851 31.823 0.124 0.000 0.708 535 V HN 0.619 nan 8.190 nan 0.000 0.490 536 G N -0.545 108.209 108.800 -0.077 0.000 3.284 536 G HA2 0.077 4.037 3.960 0.000 0.000 0.236 536 G HA3 0.077 4.037 3.960 0.000 0.000 0.236 536 G C 0.588 175.430 174.900 -0.096 0.000 1.158 536 G CA -0.221 44.841 45.100 -0.063 0.000 0.774 536 G HN 0.504 nan 8.290 nan 0.000 0.545 537 K N 1.214 121.507 120.400 -0.180 0.000 2.174 537 K HA 0.323 4.643 4.320 0.000 0.000 0.275 537 K C 0.070 176.574 176.600 -0.159 0.000 1.015 537 K CA -0.602 55.581 56.287 -0.173 0.000 0.933 537 K CB 0.662 33.017 32.500 -0.243 0.000 1.025 537 K HN -0.072 nan 8.250 nan 0.000 0.463 538 K N 2.646 122.987 120.400 -0.099 0.000 2.326 538 K HA 0.004 4.324 4.320 0.000 0.000 0.275 538 K C -0.522 176.043 176.600 -0.059 0.000 1.018 538 K CA 0.008 56.254 56.287 -0.068 0.000 0.962 538 K CB 0.493 32.967 32.500 -0.043 0.000 0.953 538 K HN 0.767 nan 8.250 nan 0.000 0.475 539 D N 0.400 120.779 120.400 -0.034 0.000 3.079 539 D HA -0.192 4.448 4.640 0.000 0.000 0.214 539 D C 0.321 176.653 176.300 0.053 0.000 1.145 539 D CA 1.007 55.010 54.000 0.005 0.000 0.958 539 D CB -1.645 39.157 40.800 0.005 0.000 1.117 539 D HN 0.627 nan 8.370 nan 0.000 0.416 540 I N -1.355 119.198 120.570 -0.028 0.000 2.692 540 I HA 0.172 4.342 4.170 0.000 0.000 0.284 540 I C 1.381 177.568 176.117 0.116 0.000 1.159 540 I CA -0.252 61.028 61.300 -0.035 0.000 1.423 540 I CB 0.259 38.042 38.000 -0.361 0.000 1.380 540 I HN 0.028 nan 8.210 nan 0.000 0.580 541 Y N 2.561 122.868 120.300 0.011 0.000 2.626 541 Y HA 0.568 5.118 4.550 0.000 0.000 0.248 541 Y C 0.088 176.045 175.900 0.095 0.000 1.147 541 Y CA -0.956 57.173 58.100 0.048 0.000 1.219 541 Y CB 0.178 38.666 38.460 0.046 0.000 1.279 541 Y HN 0.452 nan 8.280 nan 0.000 0.541 542 R N 2.245 122.610 120.500 -0.226 0.000 2.686 542 R HA 0.465 4.805 4.340 0.000 0.000 0.286 542 R C -2.938 173.431 176.300 0.115 0.000 0.969 542 R CA -2.118 53.912 56.100 -0.116 0.000 0.898 542 R CB 1.811 31.930 30.300 -0.302 0.000 1.183 542 R HN -0.017 nan 8.270 nan 0.000 0.456 543 P HA 0.040 nan 4.420 nan 0.000 0.277 543 P C -1.000 176.456 177.300 0.260 0.000 1.240 543 P CA -0.123 63.111 63.100 0.222 0.000 0.798 543 P CB 0.776 32.578 31.700 0.169 0.000 0.979 544 F N 3.027 123.060 119.950 0.139 0.000 2.371 544 F HA 0.445 4.972 4.527 0.000 0.000 0.363 544 F C -0.159 175.558 175.800 -0.139 0.000 1.122 544 F CA -0.913 57.086 58.000 -0.001 0.000 1.129 544 F CB 0.279 39.352 39.000 0.122 0.000 1.173 544 F HN 0.075 nan 8.300 nan 0.000 0.489 545 I N 7.569 128.225 120.570 0.145 0.000 2.476 545 I HA 0.141 4.311 4.170 0.000 0.000 0.281 545 I C -0.667 175.338 176.117 -0.186 0.000 1.040 545 I CA -0.835 60.352 61.300 -0.188 0.000 1.094 545 I CB 1.517 39.385 38.000 -0.221 0.000 1.219 545 I HN 0.358 nan 8.210 nan 0.000 0.450 546 L N 4.606 125.618 121.223 -0.351 0.000 2.584 546 L HA -0.048 4.292 4.340 0.000 0.000 0.272 546 L C 1.453 178.221 176.870 -0.171 0.000 1.195 546 L CA 0.534 55.209 54.840 -0.276 0.000 0.920 546 L CB 0.371 42.182 42.059 -0.414 0.000 1.173 546 L HN 0.899 nan 8.230 nan 0.000 0.489 547 c N 2.860 121.381 118.600 -0.132 0.000 2.429 547 c HA -0.078 4.492 4.570 0.000 0.000 0.277 547 c C 1.187 175.280 174.090 0.005 0.000 1.262 547 c CA 0.667 56.961 56.329 -0.059 0.000 1.733 547 c CB -0.388 42.081 42.510 -0.069 0.000 2.010 547 c HN 0.751 nan 8.230 nan 0.000 0.483 548 E N -2.181 117.949 120.200 -0.116 0.000 2.321 548 E HA 0.574 4.925 4.350 0.000 0.000 0.278 548 E C -1.260 175.085 176.600 -0.425 0.000 0.902 548 E CA -0.396 55.904 56.400 -0.167 0.000 0.758 548 E CB 2.048 31.567 29.700 -0.303 0.000 1.213 548 E HN 0.533 nan 8.360 nan 0.000 0.426 549 Y N -0.123 119.955 120.300 -0.370 0.000 2.713 549 Y HA 0.481 5.031 4.550 0.000 0.000 0.335 549 Y C -0.736 175.163 175.900 -0.002 0.000 1.222 549 Y CA -1.582 56.345 58.100 -0.288 0.000 1.061 549 Y CB 0.731 38.959 38.460 -0.387 0.000 1.314 549 Y HN 0.450 nan 8.280 nan 0.000 0.453 550 L N 2.898 123.990 121.223 -0.217 0.000 3.713 550 L HA -0.223 4.117 4.340 0.000 0.000 0.499 550 L C -0.296 176.567 176.870 -0.010 0.000 1.281 550 L CA 1.184 55.888 54.840 -0.227 0.000 0.796 550 L CB -1.268 40.387 42.059 -0.672 0.000 1.535 550 L HN 0.958 nan 8.230 nan 0.000 0.851 551 H N 1.375 120.543 119.070 0.163 0.000 3.237 551 H HA 0.283 4.839 4.556 0.000 0.000 0.270 551 H C 0.768 176.100 175.328 0.008 0.000 0.900 551 H CA 0.720 56.892 56.048 0.206 0.000 1.415 551 H CB 0.383 30.236 29.762 0.152 0.000 1.484 551 H HN 0.677 nan 8.280 nan 0.000 0.540 555 N N 1.175 119.264 118.700 -1.018 0.000 2.448 555 N HA 0.550 5.291 4.740 0.000 0.000 0.250 555 N C -0.237 175.062 175.510 -0.352 0.000 1.136 555 N CA 0.575 53.127 53.050 -0.829 0.000 0.953 555 N CB 0.879 38.854 38.487 -0.854 0.000 1.251 555 N HN 0.517 nan 8.380 nan 0.000 0.502 556 S N 1.360 117.036 115.700 -0.038 0.000 3.331 556 S HA 0.444 4.914 4.470 0.000 0.000 0.316 556 S C -0.235 174.347 174.600 -0.031 0.000 1.104 556 S CA 0.061 58.225 58.200 -0.060 0.000 0.977 556 S CB 0.126 63.260 63.200 -0.111 0.000 1.370 556 S HN 0.629 nan 8.310 nan 0.000 0.731 557 C N 1.184 120.405 119.300 -0.131 0.000 4.456 557 C HA -0.026 4.434 4.460 0.000 0.000 0.288 557 C C 0.938 175.902 174.990 -0.043 0.000 1.374 557 C CA -0.025 58.910 59.018 -0.140 0.000 1.956 557 C CB -2.431 25.147 27.740 -0.270 0.000 1.255 557 C HN 0.970 nan 8.230 nan 0.000 0.788 558 G N -0.099 108.681 108.800 -0.033 0.000 2.503 558 G HA2 0.634 4.595 3.960 0.000 0.000 0.257 558 G HA3 0.634 4.595 3.960 0.000 0.000 0.257 558 G C 0.536 175.453 174.900 0.028 0.000 1.214 558 G CA 0.780 45.856 45.100 -0.039 0.000 0.839 558 G HN 2.184 nan 8.290 nan 0.000 0.559 562 E N 0.537 120.791 120.200 0.090 0.000 2.118 562 E HA -0.120 4.230 4.350 0.000 0.000 0.195 562 E C 1.376 177.868 176.600 -0.180 0.000 0.992 562 E CA 1.771 58.144 56.400 -0.046 0.000 0.804 562 E CB -0.213 29.426 29.700 -0.102 0.000 0.741 562 E HN 0.372 nan 8.360 nan 0.000 0.458 563 Y N -1.499 118.709 120.300 -0.153 0.000 2.145 563 Y HA -0.218 4.333 4.550 0.000 0.000 0.286 563 Y C 1.790 177.151 175.900 -0.899 0.000 1.145 563 Y CA 1.168 58.948 58.100 -0.533 0.000 1.148 563 Y CB -0.262 38.037 38.460 -0.269 0.000 0.981 563 Y HN 0.131 nan 8.280 nan 0.000 0.507 564 W N 0.344 121.614 121.300 -0.051 0.000 2.678 564 W HA -0.036 4.624 4.660 0.000 0.000 0.256 564 W C 1.899 178.383 176.519 -0.058 0.000 1.280 564 W CA 0.841 58.192 57.345 0.010 0.000 1.345 564 W CB -0.170 29.366 29.460 0.127 0.000 1.118 564 W HN 0.132 nan 8.180 nan 0.000 0.629 565 E N -0.342 119.879 120.200 0.034 0.000 2.208 565 E HA -0.139 4.211 4.350 0.000 0.000 0.193 565 E C 1.993 178.563 176.600 -0.049 0.000 0.988 565 E CA 1.074 57.491 56.400 0.029 0.000 0.828 565 E CB -0.184 29.526 29.700 0.017 0.000 0.763 565 E HN 0.143 nan 8.360 nan 0.000 0.478 566 V N 0.422 120.207 119.914 -0.215 0.000 2.379 566 V HA -0.147 3.973 4.120 0.000 0.000 0.243 566 V C 1.862 177.858 176.094 -0.164 0.000 1.035 566 V CA 1.302 63.458 62.300 -0.241 0.000 1.035 566 V CB -0.489 31.089 31.823 -0.408 0.000 0.673 566 V HN 0.251 nan 8.190 nan 0.000 0.457 567 F N 0.692 120.476 119.950 -0.278 0.000 2.161 567 F HA -0.188 4.339 4.527 0.000 0.000 0.300 567 F C 2.496 178.189 175.800 -0.178 0.000 1.089 567 F CA 1.458 59.229 58.000 -0.382 0.000 1.282 567 F CB -0.136 38.293 39.000 -0.950 0.000 1.010 567 F HN 0.211 nan 8.300 nan 0.000 0.485 568 E N -0.344 119.912 120.200 0.092 0.000 2.358 568 E HA -0.154 4.196 4.350 0.000 0.000 0.195 568 E C 1.348 178.076 176.600 0.214 0.000 1.010 568 E CA 0.652 57.107 56.400 0.091 0.000 0.856 568 E CB -0.138 29.596 29.700 0.057 0.000 0.795 568 E HN 0.332 nan 8.360 nan 0.000 0.504 569 N N 0.288 119.065 118.700 0.128 0.000 2.414 569 N HA -0.055 4.686 4.740 0.000 0.000 0.177 569 N C -0.241 175.323 175.510 0.089 0.000 1.062 569 N CA 0.332 53.449 53.050 0.112 0.000 0.890 569 N CB 0.694 39.224 38.487 0.071 0.000 1.070 569 N HN -0.156 nan 8.380 nan 0.000 0.454 570 E N 2.268 122.516 120.200 0.080 0.000 2.109 570 E HA 0.278 4.628 4.350 0.000 0.000 0.278 570 E C -2.221 174.437 176.600 0.097 0.000 0.954 570 E CA -2.134 54.314 56.400 0.081 0.000 0.779 570 E CB 1.304 31.051 29.700 0.078 0.000 1.093 570 E HN 0.365 nan 8.360 nan 0.000 0.401 574 Q N 0.993 120.708 119.800 -0.140 0.000 2.222 574 Q HA 0.436 4.776 4.340 0.000 0.000 0.206 574 Q C 1.076 176.635 176.000 -0.736 0.000 0.877 574 Q CA 0.499 56.129 55.803 -0.287 0.000 0.958 574 Q CB 0.737 29.438 28.738 -0.062 0.000 1.075 574 Q HN 1.833 nan 8.270 nan 0.000 0.483 575 G N -0.344 107.395 108.800 -1.768 0.000 2.418 575 G HA2 0.094 4.054 3.960 0.000 0.000 0.206 575 G HA3 0.094 4.054 3.960 0.000 0.000 0.206 575 G C -0.168 173.855 174.900 -1.463 0.000 1.202 575 G CA -0.693 42.968 45.100 -2.398 0.000 1.061 575 G HN 0.621 nan 8.290 nan 0.000 0.563 576 G N -2.610 105.721 108.800 -0.780 0.000 2.317 576 G HA2 0.559 4.519 3.960 0.000 0.000 0.293 576 G HA3 0.559 4.519 3.960 0.000 0.000 0.293 576 G C -1.236 173.712 174.900 0.080 0.000 1.287 576 G CA 0.508 45.347 45.100 -0.434 0.000 0.850 576 G HN 1.811 nan 8.290 nan 0.000 0.515 577 C N 0.608 120.045 119.300 0.227 0.000 2.322 577 C HA 0.628 5.088 4.460 0.000 0.000 0.324 577 C C 0.884 176.092 174.990 0.364 0.000 1.284 577 C CA -0.443 58.763 59.018 0.314 0.000 1.606 577 C CB -0.384 27.451 27.740 0.159 0.000 2.251 577 C HN 0.571 nan 8.230 nan 0.000 0.502 578 I N 3.347 124.043 120.570 0.209 0.000 2.710 578 I HA -0.014 4.156 4.170 0.000 0.000 0.286 578 I C 0.646 176.782 176.117 0.032 0.000 1.181 578 I CA 0.364 61.588 61.300 -0.127 0.000 1.430 578 I CB 0.499 38.401 38.000 -0.165 0.000 1.367 578 I HN 0.687 nan 8.210 nan 0.000 0.577 579 W N 7.932 129.198 121.300 -0.057 0.000 2.529 579 W HA 0.033 4.693 4.660 0.000 0.000 0.319 579 W C -0.343 176.180 176.519 0.007 0.000 1.362 579 W CA -0.012 57.376 57.345 0.071 0.000 1.348 579 W CB 0.247 29.896 29.460 0.315 0.000 1.403 579 W HN 0.606 nan 8.180 nan 0.000 0.519 580 D N 4.514 124.298 120.400 -1.026 0.000 9.024 580 D HA -0.287 4.353 4.640 0.000 0.000 0.279 580 D C 0.683 176.789 176.300 -0.322 0.000 2.512 580 D CA 0.911 54.385 54.000 -0.877 0.000 2.322 580 D CB -0.719 39.410 40.800 -1.120 0.000 0.967 580 D HN 0.800 nan 8.370 nan 0.000 0.684 581 W N 4.079 125.158 121.300 -0.369 0.000 2.408 581 W HA 0.083 4.744 4.660 0.000 0.000 0.311 581 W C 0.455 176.857 176.519 -0.195 0.000 1.190 581 W CA 1.129 58.338 57.345 -0.226 0.000 1.321 581 W CB 0.373 29.724 29.460 -0.182 0.000 1.143 581 W HN 0.301 nan 8.180 nan 0.000 0.501 582 V N 3.027 122.733 119.914 -0.347 0.000 2.656 582 V HA 0.264 4.384 4.120 0.000 0.000 0.307 582 V C -0.688 175.201 176.094 -0.343 0.000 1.051 582 V CA -0.840 61.192 62.300 -0.446 0.000 0.893 582 V CB 1.546 33.172 31.823 -0.327 0.000 0.999 582 V HN -0.092 nan 8.190 nan 0.000 0.426 583 D N 4.373 124.554 120.400 -0.365 0.000 2.455 583 D HA 0.109 4.749 4.640 0.000 0.000 0.241 583 D C 0.037 176.007 176.300 -0.550 0.000 1.138 583 D CA 0.558 54.331 54.000 -0.379 0.000 0.877 583 D CB 0.963 41.539 40.800 -0.374 0.000 1.187 583 D HN 0.624 nan 8.370 nan 0.000 0.451 584 Q N 2.081 121.529 119.800 -0.587 0.000 3.091 584 Q HA 0.177 4.518 4.340 0.000 0.000 0.301 584 Q C -0.504 175.202 176.000 -0.490 0.000 1.337 584 Q CA -0.333 54.886 55.803 -0.974 0.000 1.083 584 Q CB 0.282 28.703 28.738 -0.527 0.000 1.477 584 Q HN 0.217 nan 8.270 nan 0.000 0.537 585 N N 0.566 118.980 118.700 -0.475 0.000 2.362 585 N HA 0.479 5.219 4.740 0.000 0.000 0.299 585 N C -1.027 174.402 175.510 -0.134 0.000 1.170 585 N CA -0.325 52.647 53.050 -0.131 0.000 0.825 585 N CB 1.251 39.688 38.487 -0.084 0.000 1.299 585 N HN 0.076 nan 8.380 nan 0.000 0.502 586 F N 0.179 120.365 119.950 0.394 0.000 2.492 586 F HA 0.462 4.989 4.527 0.001 0.000 0.327 586 F C 0.907 176.944 175.800 0.397 0.000 1.079 586 F CA -0.848 57.326 58.000 0.291 0.000 0.967 586 F CB 1.385 40.421 39.000 0.061 0.000 1.169 586 F HN 0.112 nan 8.300 nan 0.000 0.472 587 R N 2.046 122.803 120.500 0.429 0.000 2.294 587 R HA 0.425 4.765 4.340 0.000 0.000 0.319 587 R C -0.949 175.300 176.300 -0.084 0.000 0.984 587 R CA -0.359 55.765 56.100 0.041 0.000 0.861 587 R CB 0.753 30.928 30.300 -0.207 0.000 1.104 587 R HN 0.599 nan 8.270 nan 0.000 0.451 588 E N 3.700 123.702 120.200 -0.331 0.000 2.359 588 E HA 0.378 4.728 4.350 0.000 0.000 0.266 588 E C -0.896 175.558 176.600 -0.243 0.000 0.920 588 E CA -0.992 55.205 56.400 -0.337 0.000 0.788 588 E CB 2.124 31.526 29.700 -0.496 0.000 1.279 588 E HN 0.415 nan 8.360 nan 0.000 0.438 589 I N 1.660 122.225 120.570 -0.009 0.000 2.436 589 I HA 0.138 4.308 4.170 0.000 0.000 0.289 589 I C 0.010 176.245 176.117 0.195 0.000 1.010 589 I CA -0.645 60.731 61.300 0.128 0.000 1.098 589 I CB 1.380 39.419 38.000 0.066 0.000 1.266 589 I HN 0.369 nan 8.210 nan 0.000 0.434 590 D N 5.146 125.681 120.400 0.225 0.000 2.451 590 D HA 0.155 4.796 4.640 0.000 0.000 0.259 590 D C 0.939 177.262 176.300 0.039 0.000 1.201 590 D CA -0.624 53.442 54.000 0.110 0.000 1.028 590 D CB 0.579 41.369 40.800 -0.017 0.000 1.095 590 D HN 0.580 nan 8.370 nan 0.000 0.539 591 K N -0.901 119.501 120.400 0.003 0.000 2.281 591 K HA -0.160 4.161 4.320 0.000 0.000 0.203 591 K C 0.025 176.619 176.600 -0.009 0.000 1.046 591 K CA 1.238 57.521 56.287 -0.006 0.000 0.938 591 K CB -0.240 32.248 32.500 -0.019 0.000 0.737 591 K HN 0.289 nan 8.250 nan 0.000 0.458 592 D N 0.377 120.768 120.400 -0.015 0.000 2.340 592 D HA 0.082 4.722 4.640 0.000 0.000 0.217 592 D C 0.695 176.993 176.300 -0.003 0.000 1.081 592 D CA 0.672 54.663 54.000 -0.016 0.000 0.842 592 D CB 0.809 41.590 40.800 -0.031 0.000 0.934 592 D HN 0.501 nan 8.370 nan 0.000 0.511 593 G N 1.764 110.572 108.800 0.014 0.000 2.147 593 G HA2 -0.303 3.657 3.960 0.000 0.000 0.244 593 G HA3 -0.303 3.657 3.960 0.000 0.000 0.244 593 G C 0.154 175.082 174.900 0.046 0.000 1.005 593 G CA -0.074 45.045 45.100 0.031 0.000 0.713 593 G HN 0.273 nan 8.290 nan 0.000 0.515 594 K N 0.779 121.197 120.400 0.030 0.000 2.211 594 K HA 0.390 4.711 4.320 0.000 0.000 0.275 594 K C 0.910 177.556 176.600 0.077 0.000 1.024 594 K CA -0.783 55.498 56.287 -0.010 0.000 0.887 594 K CB 1.112 33.555 32.500 -0.096 0.000 1.084 594 K HN 0.444 nan 8.250 nan 0.000 0.463 595 W N 4.119 125.402 121.300 -0.029 0.000 2.253 595 W HA 0.416 5.077 4.660 0.000 0.000 0.348 595 W C -0.684 175.857 176.519 0.036 0.000 1.229 595 W CA -0.748 56.562 57.345 -0.058 0.000 1.335 595 W CB -0.154 29.157 29.460 -0.248 0.000 1.165 595 W HN 0.677 nan 8.180 nan 0.000 0.631 596 Y N -2.040 118.273 120.300 0.022 0.000 2.641 596 Y HA 0.508 5.058 4.550 0.000 0.000 0.333 596 Y C -1.725 174.257 175.900 0.138 0.000 1.174 596 Y CA -2.482 55.543 58.100 -0.126 0.000 1.057 596 Y CB 0.507 38.924 38.460 -0.072 0.000 1.322 596 Y HN 0.491 nan 8.280 nan 0.000 0.457 597 W N 1.960 123.502 121.300 0.404 0.000 2.376 597 W HA 0.595 5.256 4.660 0.000 0.000 0.322 597 W C -0.183 176.499 176.519 0.272 0.000 1.160 597 W CA -0.442 57.086 57.345 0.306 0.000 1.218 597 W CB 2.129 31.793 29.460 0.339 0.000 1.205 597 W HN 0.672 nan 8.180 nan 0.000 0.559 598 T N 0.235 115.098 114.554 0.514 0.000 2.925 598 T HA 0.716 5.066 4.350 0.000 0.000 0.285 598 T C -0.842 174.176 174.700 0.530 0.000 1.021 598 T CA -0.562 61.764 62.100 0.376 0.000 1.042 598 T CB 1.558 70.634 68.868 0.348 0.000 1.037 598 T HN 0.445 nan 8.240 nan 0.000 0.481 599 Y N -1.070 119.599 120.300 0.615 0.000 2.974 599 Y HA 0.779 5.329 4.550 0.000 0.000 0.310 599 Y C 0.494 176.695 175.900 0.502 0.000 1.551 599 Y CA -1.870 56.531 58.100 0.501 0.000 1.084 599 Y CB -0.067 38.494 38.460 0.168 0.000 1.446 599 Y HN 0.953 nan 8.280 nan 0.000 0.472 600 G N 0.016 109.202 108.800 0.644 0.000 2.257 600 G HA2 0.358 4.318 3.960 0.000 0.000 0.235 600 G HA3 0.358 4.318 3.960 0.000 0.000 0.235 600 G C 1.026 176.222 174.900 0.493 0.000 1.225 600 G CA 0.625 46.055 45.100 0.551 0.000 0.878 600 G HN 2.044 nan 8.290 nan 0.000 0.505 601 G N 1.980 111.027 108.800 0.412 0.000 2.179 601 G HA2 -0.271 3.690 3.960 0.000 0.000 0.260 601 G HA3 -0.271 3.690 3.960 0.000 0.000 0.260 601 G C 0.815 175.861 174.900 0.242 0.000 0.977 601 G CA 0.691 45.979 45.100 0.313 0.000 0.641 601 G HN 0.668 nan 8.290 nan 0.000 0.533 602 D N -0.493 120.042 120.400 0.226 0.000 2.349 602 D HA 0.214 4.854 4.640 0.000 0.000 0.224 602 D C 0.293 176.356 176.300 -0.394 0.000 1.029 602 D CA 0.711 54.648 54.000 -0.105 0.000 0.879 602 D CB 0.047 40.722 40.800 -0.209 0.000 0.906 602 D HN 0.575 nan 8.370 nan 0.000 0.528 603 Y N -0.489 119.981 120.300 0.283 0.000 2.477 603 Y HA 0.512 5.062 4.550 0.000 0.000 0.347 603 Y C 1.033 177.052 175.900 0.199 0.000 0.981 603 Y CA -0.781 57.444 58.100 0.209 0.000 1.033 603 Y CB 2.266 40.851 38.460 0.209 0.000 1.245 603 Y HN -0.011 nan 8.280 nan 0.000 0.455 604 G N 2.328 111.299 108.800 0.286 0.000 2.710 604 G HA2 -0.066 3.894 3.960 0.000 0.000 0.668 604 G HA3 -0.066 3.894 3.960 0.000 0.000 0.668 604 G C -2.852 172.139 174.900 0.152 0.000 1.320 604 G CA -1.148 44.083 45.100 0.218 0.000 0.860 604 G HN 0.568 nan 8.290 nan 0.000 0.538 605 P HA 0.355 nan 4.420 nan 0.000 0.275 605 P C 0.049 177.400 177.300 0.084 0.000 1.266 605 P CA -0.390 62.762 63.100 0.087 0.000 0.793 605 P CB 0.677 32.419 31.700 0.071 0.000 1.074 606 E N -0.855 119.383 120.200 0.063 0.000 2.413 606 E HA 0.234 4.584 4.350 0.000 0.000 0.263 606 E C 0.946 177.578 176.600 0.053 0.000 1.015 606 E CA 0.833 57.269 56.400 0.060 0.000 0.916 606 E CB -0.394 29.333 29.700 0.045 0.000 0.947 606 E HN 0.774 nan 8.360 nan 0.000 0.440 607 G N 3.940 112.776 108.800 0.059 0.000 2.217 607 G HA2 -0.298 3.662 3.960 0.000 0.000 0.246 607 G HA3 -0.298 3.662 3.960 0.000 0.000 0.246 607 G C 0.397 175.329 174.900 0.053 0.000 0.990 607 G CA 0.069 45.195 45.100 0.044 0.000 0.627 607 G HN 0.655 nan 8.290 nan 0.000 0.522 608 I N 2.898 123.522 120.570 0.090 0.000 2.775 608 I HA 0.295 4.465 4.170 0.000 0.000 0.290 608 I C -1.387 174.828 176.117 0.164 0.000 1.203 608 I CA -1.367 60.017 61.300 0.140 0.000 1.433 608 I CB 0.720 38.850 38.000 0.217 0.000 1.354 608 I HN -0.020 nan 8.210 nan 0.000 0.579 609 P HA 0.004 nan 4.420 nan 0.000 0.264 609 P C -1.230 176.155 177.300 0.142 0.000 1.183 609 P CA 0.295 63.490 63.100 0.159 0.000 0.763 609 P CB 0.579 32.405 31.700 0.209 0.000 0.807 610 S N 2.391 118.145 115.700 0.090 0.000 2.543 610 S HA 0.575 5.045 4.470 0.000 0.000 0.274 610 S C -1.461 173.198 174.600 0.097 0.000 1.149 610 S CA -0.503 57.753 58.200 0.093 0.000 0.866 610 S CB 0.405 63.709 63.200 0.174 0.000 1.111 610 S HN 0.211 nan 8.310 nan 0.000 0.457 611 F N 3.212 123.059 119.950 -0.172 0.000 2.810 611 F HA 0.531 5.058 4.527 0.000 0.000 0.353 611 F C 1.029 176.954 175.800 0.209 0.000 1.227 611 F CA 0.529 58.447 58.000 -0.137 0.000 1.210 611 F CB 0.196 38.945 39.000 -0.419 0.000 1.039 611 F HN 1.142 nan 8.300 nan 0.000 0.509 612 G N 2.513 111.430 108.800 0.194 0.000 2.594 612 G HA2 -0.466 3.495 3.960 0.000 0.000 0.297 612 G HA3 -0.466 3.495 3.960 0.000 0.000 0.297 612 G C 0.816 175.763 174.900 0.079 0.000 1.273 612 G CA 0.582 45.788 45.100 0.176 0.000 0.974 612 G HN 0.619 nan 8.290 nan 0.000 0.552 613 N N 0.793 119.123 118.700 -0.617 0.000 2.501 613 N HA 0.168 4.908 4.740 0.000 0.000 0.195 613 N C 1.359 176.571 175.510 -0.496 0.000 1.213 613 N CA 0.992 53.477 53.050 -0.941 0.000 0.864 613 N CB -0.362 37.264 38.487 -1.434 0.000 0.999 613 N HN 0.433 nan 8.380 nan 0.000 0.454 614 F N 0.660 120.499 119.950 -0.185 0.000 2.802 614 F HA 0.056 4.583 4.527 0.000 0.000 0.300 614 F C 1.792 177.582 175.800 -0.017 0.000 1.168 614 F CA 0.000 58.004 58.000 0.006 0.000 1.433 614 F CB -0.126 38.989 39.000 0.192 0.000 1.115 614 F HN 0.279 nan 8.300 nan 0.000 0.582 615 C N -1.757 117.321 119.300 -0.371 0.000 2.594 615 C HA 0.454 4.915 4.460 0.000 0.000 0.265 615 C C 1.557 176.358 174.990 -0.315 0.000 1.351 615 C CA -0.151 58.479 59.018 -0.647 0.000 1.744 615 C CB -1.392 25.427 27.740 -1.536 0.000 1.890 615 C HN 0.301 nan 8.230 nan 0.000 0.551 616 G N 1.808 110.465 108.800 -0.239 0.000 2.607 616 G HA2 0.461 4.421 3.960 0.000 0.000 0.332 616 G HA3 0.461 4.421 3.960 0.000 0.000 0.332 616 G C -0.073 174.714 174.900 -0.188 0.000 1.046 616 G CA -0.245 44.726 45.100 -0.216 0.000 1.099 616 G HN 0.466 nan 8.290 nan 0.000 0.451 617 N N 1.800 120.392 118.700 -0.181 0.000 2.305 617 N HA 0.125 4.865 4.740 0.000 0.000 0.248 617 N C 0.990 176.342 175.510 -0.263 0.000 1.290 617 N CA -0.322 52.588 53.050 -0.232 0.000 0.873 617 N CB 1.628 40.024 38.487 -0.152 0.000 1.261 617 N HN 0.529 nan 8.380 nan 0.000 0.504 618 G N -0.019 108.659 108.800 -0.204 0.000 2.599 618 G HA2 0.383 4.343 3.960 0.000 0.000 0.264 618 G HA3 0.383 4.343 3.960 0.000 0.000 0.264 618 G C 0.951 175.844 174.900 -0.012 0.000 1.200 618 G CA -0.464 44.513 45.100 -0.205 0.000 0.896 618 G HN 0.133 nan 8.290 nan 0.000 0.536 619 L N -0.308 120.809 121.223 -0.178 0.000 2.418 619 L HA 0.156 4.496 4.340 0.000 0.000 0.218 619 L C 0.808 177.521 176.870 -0.262 0.000 1.125 619 L CA 0.303 55.098 54.840 -0.074 0.000 0.835 619 L CB -0.165 41.789 42.059 -0.175 0.000 0.953 619 L HN 0.405 nan 8.230 nan 0.000 0.454 620 V N -3.814 115.747 119.914 -0.588 0.000 3.130 620 V HA 0.514 4.634 4.120 0.000 0.000 0.310 620 V C -0.599 175.076 176.094 -0.698 0.000 1.158 620 V CA -1.283 60.561 62.300 -0.760 0.000 1.029 620 V CB 1.665 32.961 31.823 -0.878 0.000 1.057 620 V HN 0.220 nan 8.190 nan 0.000 0.436 621 N N 1.871 120.124 118.700 -0.745 0.000 2.364 621 N HA 0.484 5.224 4.740 0.000 0.000 0.264 621 N C 1.136 176.345 175.510 -0.502 0.000 1.263 621 N CA 0.112 52.813 53.050 -0.582 0.000 0.959 621 N CB 0.595 38.795 38.487 -0.479 0.000 1.204 621 N HN 1.109 nan 8.380 nan 0.000 0.550 622 A N -0.587 121.849 122.820 -0.641 0.000 1.986 622 A HA -0.111 4.209 4.320 0.000 0.000 0.220 622 A C 1.580 179.071 177.584 -0.155 0.000 1.171 622 A CA 2.112 53.930 52.037 -0.365 0.000 0.640 622 A CB -1.181 17.576 19.000 -0.404 0.000 0.811 622 A HN 0.874 nan 8.150 nan 0.000 0.451 623 V N -5.167 114.686 119.914 -0.101 0.000 3.331 623 V HA 0.462 4.582 4.120 0.000 0.000 0.332 623 V C 0.602 176.652 176.094 -0.072 0.000 1.341 623 V CA 0.131 62.420 62.300 -0.018 0.000 1.218 623 V CB -1.066 30.796 31.823 0.065 0.000 1.152 623 V HN 0.447 nan 8.190 nan 0.000 0.445 624 R N 0.191 120.598 120.500 -0.155 0.000 3.651 624 R HA -0.177 4.164 4.340 0.000 0.000 0.292 624 R C -0.074 176.117 176.300 -0.181 0.000 1.161 624 R CA 1.243 57.233 56.100 -0.184 0.000 0.787 624 R CB -2.533 27.734 30.300 -0.056 0.000 1.249 624 R HN 0.873 nan 8.270 nan 0.000 0.476 625 E N 1.577 121.655 120.200 -0.203 0.000 2.167 625 E HA 0.219 4.569 4.350 0.000 0.000 0.284 625 E C -2.083 174.339 176.600 -0.295 0.000 1.016 625 E CA -2.076 54.229 56.400 -0.158 0.000 0.817 625 E CB 1.098 30.753 29.700 -0.075 0.000 1.080 625 E HN 0.026 nan 8.360 nan 0.000 0.397 626 P HA -0.030 nan 4.420 nan 0.000 0.268 626 P C -0.588 176.524 177.300 -0.313 0.000 1.205 626 P CA 0.189 63.089 63.100 -0.332 0.000 0.771 626 P CB 0.792 32.347 31.700 -0.241 0.000 0.858 627 H N 3.199 122.091 119.070 -0.297 0.000 2.508 627 H HA 0.149 4.705 4.556 0.000 0.000 0.358 627 H C -1.386 173.602 175.328 -0.567 0.000 1.212 627 H CA -1.729 53.988 56.048 -0.551 0.000 1.356 627 H CB -0.081 29.289 29.762 -0.654 0.000 1.525 627 H HN 0.275 nan 8.280 nan 0.000 0.578 628 P HA -0.158 nan 4.420 nan 0.000 0.216 628 P C 1.283 178.519 177.300 -0.107 0.000 1.150 628 P CA 1.590 64.523 63.100 -0.277 0.000 0.843 628 P CB -0.086 31.487 31.700 -0.212 0.000 0.787 629 H N -1.320 117.725 119.070 -0.041 0.000 2.518 629 H HA -0.041 4.515 4.556 0.000 0.000 0.289 629 H C 1.836 177.114 175.328 -0.084 0.000 1.051 629 H CA 0.261 56.283 56.048 -0.043 0.000 1.280 629 H CB -0.790 28.942 29.762 -0.049 0.000 1.380 629 H HN 0.077 nan 8.280 nan 0.000 0.566 630 L N 1.656 122.982 121.223 0.172 0.000 2.131 630 L HA -0.105 4.235 4.340 0.000 0.000 0.210 630 L C 2.238 179.114 176.870 0.009 0.000 1.092 630 L CA 1.146 56.002 54.840 0.028 0.000 0.759 630 L CB -0.542 41.433 42.059 -0.140 0.000 0.903 630 L HN 0.285 nan 8.230 nan 0.000 0.435 631 L N -0.669 120.530 121.223 -0.040 0.000 2.201 631 L HA -0.162 4.178 4.340 0.000 0.000 0.212 631 L C 2.484 179.355 176.870 0.003 0.000 1.105 631 L CA 1.182 55.985 54.840 -0.063 0.000 0.775 631 L CB -0.508 41.257 42.059 -0.490 0.000 0.913 631 L HN 0.347 nan 8.230 nan 0.000 0.440 632 E N 0.301 120.512 120.200 0.018 0.000 2.107 632 E HA -0.143 4.207 4.350 0.000 0.000 0.191 632 E C 2.111 178.662 176.600 -0.081 0.000 0.982 632 E CA 1.005 57.415 56.400 0.016 0.000 0.809 632 E CB -0.044 29.672 29.700 0.027 0.000 0.756 632 E HN 0.163 nan 8.360 nan 0.000 0.459 633 V N 1.221 121.058 119.914 -0.129 0.000 2.343 633 V HA -0.263 3.857 4.120 0.000 0.000 0.247 633 V C 2.478 178.424 176.094 -0.246 0.000 1.051 633 V CA 2.153 64.258 62.300 -0.325 0.000 1.036 633 V CB -0.575 31.056 31.823 -0.320 0.000 0.654 633 V HN 0.324 nan 8.190 nan 0.000 0.451 634 K N 0.423 120.816 120.400 -0.012 0.000 2.057 634 K HA -0.283 4.037 4.320 0.000 0.000 0.207 634 K C 2.239 178.804 176.600 -0.058 0.000 1.049 634 K CA 1.960 58.293 56.287 0.076 0.000 0.931 634 K CB -0.116 32.505 32.500 0.200 0.000 0.714 634 K HN 0.290 nan 8.250 nan 0.000 0.440 635 K N 1.049 121.381 120.400 -0.114 0.000 2.025 635 K HA -0.058 4.262 4.320 0.000 0.000 0.207 635 K C 1.869 178.323 176.600 -0.243 0.000 1.049 635 K CA 1.313 57.442 56.287 -0.262 0.000 0.933 635 K CB -0.161 32.214 32.500 -0.208 0.000 0.714 635 K HN 0.150 nan 8.250 nan 0.000 0.438 636 I N 0.247 120.683 120.570 -0.223 0.000 2.439 636 I HA -0.193 3.977 4.170 0.000 0.000 0.251 636 I C 1.552 177.462 176.117 -0.345 0.000 1.139 636 I CA 1.149 62.290 61.300 -0.265 0.000 1.438 636 I CB -0.904 36.933 38.000 -0.271 0.000 1.085 636 I HN 0.134 nan 8.210 nan 0.000 0.427 637 Y N 1.929 121.952 120.300 -0.462 0.000 2.546 637 Y HA 0.043 4.593 4.550 0.000 0.000 0.287 637 Y C 1.569 177.223 175.900 -0.410 0.000 1.158 637 Y CA -0.824 56.956 58.100 -0.532 0.000 1.307 637 Y CB -0.768 37.485 38.460 -0.345 0.000 1.036 637 Y HN 0.442 nan 8.280 nan 0.000 0.532 638 Q N 0.068 119.753 119.800 -0.191 0.000 2.386 638 Q HA -0.061 4.279 4.340 0.000 0.000 0.282 638 Q C -0.278 175.529 176.000 -0.321 0.000 1.050 638 Q CA 0.538 56.202 55.803 -0.233 0.000 0.918 638 Q CB 0.271 28.866 28.738 -0.239 0.000 1.266 638 Q HN 0.248 nan 8.270 nan 0.000 0.423 639 N N 1.157 119.577 118.700 -0.467 0.000 2.270 639 N HA 0.200 4.940 4.740 0.000 0.000 0.198 639 N C -0.988 174.231 175.510 -0.484 0.000 1.117 639 N CA -0.003 52.680 53.050 -0.612 0.000 0.845 639 N CB 0.594 38.212 38.487 -1.449 0.000 0.980 639 N HN 0.452 nan 8.380 nan 0.000 0.486 640 I N 1.304 121.632 120.570 -0.402 0.000 2.521 640 I HA 0.251 4.422 4.170 0.000 0.000 0.277 640 I C -0.625 175.362 176.117 -0.217 0.000 1.054 640 I CA -0.493 60.539 61.300 -0.446 0.000 1.117 640 I CB 0.972 38.403 38.000 -0.950 0.000 1.217 640 I HN -0.096 nan 8.210 nan 0.000 0.469 641 K N 4.380 124.769 120.400 -0.019 0.000 2.323 641 K HA 0.868 5.188 4.320 0.000 0.000 0.259 641 K C -0.447 176.232 176.600 0.132 0.000 0.947 641 K CA -0.511 55.835 56.287 0.098 0.000 0.819 641 K CB 3.135 35.775 32.500 0.232 0.000 1.109 641 K HN 0.648 nan 8.250 nan 0.000 0.429 642 A N 1.575 124.530 122.820 0.224 0.000 2.384 642 A HA 0.784 5.105 4.320 0.000 0.000 0.312 642 A C -0.526 177.320 177.584 0.437 0.000 1.113 642 A CA -0.657 51.559 52.037 0.298 0.000 0.779 642 A CB 1.437 20.674 19.000 0.394 0.000 1.307 642 A HN 0.700 nan 8.150 nan 0.000 0.436 643 T N -1.292 113.419 114.554 0.262 0.000 2.909 643 T HA 0.543 4.893 4.350 0.000 0.000 0.299 643 T C -1.013 173.499 174.700 -0.314 0.000 1.073 643 T CA -0.569 61.641 62.100 0.184 0.000 0.999 643 T CB 1.137 70.087 68.868 0.138 0.000 1.098 643 T HN 0.872 nan 8.240 nan 0.000 0.477 644 L N 2.837 123.633 121.223 -0.711 0.000 2.295 644 L HA 0.511 4.851 4.340 0.000 0.000 0.288 644 L C 1.388 178.088 176.870 -0.283 0.000 1.079 644 L CA 0.465 54.869 54.840 -0.727 0.000 0.830 644 L CB 0.765 42.298 42.059 -0.875 0.000 1.200 644 L HN 0.967 nan 8.230 nan 0.000 0.438 645 S N 2.691 118.265 115.700 -0.210 0.000 2.371 645 S HA 0.006 4.476 4.470 0.000 0.000 0.221 645 S C 0.377 174.921 174.600 -0.093 0.000 1.036 645 S CA 0.675 58.807 58.200 -0.114 0.000 0.965 645 S CB 0.051 63.198 63.200 -0.088 0.000 0.845 645 S HN 0.791 nan 8.310 nan 0.000 0.475 646 D N -0.017 120.318 120.400 -0.109 0.000 2.469 646 D HA 0.342 4.983 4.640 0.000 0.000 0.251 646 D C 0.782 177.030 176.300 -0.087 0.000 1.173 646 D CA -0.464 53.488 54.000 -0.079 0.000 0.882 646 D CB 0.862 41.622 40.800 -0.067 0.000 1.129 646 D HN 0.147 nan 8.370 nan 0.000 0.549 647 R N 2.650 123.111 120.500 -0.064 0.000 2.120 647 R HA -0.117 4.223 4.340 0.000 0.000 0.234 647 R C 1.941 178.222 176.300 -0.031 0.000 1.123 647 R CA 1.263 57.334 56.100 -0.047 0.000 0.975 647 R CB 0.019 30.311 30.300 -0.015 0.000 0.866 647 R HN 0.446 nan 8.270 nan 0.000 0.446 648 K N 0.301 120.685 120.400 -0.026 0.000 2.031 648 K HA -0.020 4.300 4.320 0.000 0.000 0.205 648 K C 1.233 177.819 176.600 -0.024 0.000 1.049 648 K CA 1.203 57.480 56.287 -0.016 0.000 0.939 648 K CB -0.075 32.418 32.500 -0.011 0.000 0.717 648 K HN 0.069 nan 8.250 nan 0.000 0.438 649 N N 1.144 119.820 118.700 -0.039 0.000 2.270 649 N HA 0.157 4.897 4.740 0.000 0.000 0.198 649 N C -0.363 175.096 175.510 -0.084 0.000 1.117 649 N CA 0.138 53.159 53.050 -0.048 0.000 0.845 649 N CB 0.334 38.794 38.487 -0.045 0.000 0.980 649 N HN 0.180 nan 8.380 nan 0.000 0.486 650 L N 0.725 121.891 121.223 -0.096 0.000 3.713 650 L HA -0.238 4.102 4.340 0.000 0.000 0.499 650 L C 0.164 176.920 176.870 -0.190 0.000 1.281 650 L CA 0.546 55.297 54.840 -0.149 0.000 0.796 650 L CB -1.396 40.563 42.059 -0.167 0.000 1.535 650 L HN 0.136 nan 8.230 nan 0.000 0.851 651 K N 1.686 121.990 120.400 -0.161 0.000 2.263 651 K HA 0.596 4.916 4.320 0.000 0.000 0.272 651 K C -0.002 176.493 176.600 -0.175 0.000 1.033 651 K CA -0.640 55.557 56.287 -0.150 0.000 0.884 651 K CB 1.318 33.756 32.500 -0.104 0.000 1.107 651 K HN 0.222 nan 8.250 nan 0.000 0.460 652 V N 1.207 121.020 119.914 -0.170 0.000 2.630 652 V HA 0.484 4.604 4.120 0.000 0.000 0.305 652 V C -0.572 175.479 176.094 -0.072 0.000 1.046 652 V CA -1.136 61.065 62.300 -0.164 0.000 0.934 652 V CB 1.374 33.114 31.823 -0.140 0.000 1.003 652 V HN 0.895 nan 8.190 nan 0.000 0.451 653 C N 6.917 126.186 119.300 -0.052 0.000 2.225 653 C HA 0.614 5.074 4.460 0.000 0.000 0.323 653 C C -0.096 174.908 174.990 0.024 0.000 1.164 653 C CA -0.664 58.345 59.018 -0.015 0.000 1.565 653 C CB -1.404 26.323 27.740 -0.022 0.000 2.124 653 C HN 0.741 nan 8.230 nan 0.000 0.461 654 I N 5.406 125.998 120.570 0.037 0.000 2.371 654 I HA 0.323 4.493 4.170 0.000 0.000 0.290 654 I C 0.157 176.240 176.117 -0.057 0.000 1.028 654 I CA 0.015 61.340 61.300 0.041 0.000 1.345 654 I CB 0.978 39.038 38.000 0.100 0.000 1.407 654 I HN 0.609 nan 8.210 nan 0.000 0.501 655 K N 5.588 125.919 120.400 -0.115 0.000 2.265 655 K HA 0.280 4.600 4.320 0.000 0.000 0.267 655 K C -0.402 175.985 176.600 -0.356 0.000 0.994 655 K CA -0.379 55.736 56.287 -0.286 0.000 0.860 655 K CB 0.747 33.019 32.500 -0.380 0.000 1.099 655 K HN 0.453 nan 8.250 nan 0.000 0.448 656 N N 4.257 122.756 118.700 -0.334 0.000 2.406 656 N HA 0.114 4.855 4.740 0.000 0.000 0.251 656 N C -0.663 174.700 175.510 -0.244 0.000 1.069 656 N CA -0.328 52.589 53.050 -0.222 0.000 0.947 656 N CB 0.276 38.715 38.487 -0.081 0.000 1.111 656 N HN 0.739 nan 8.380 nan 0.000 0.497 657 W N 2.514 123.710 121.300 -0.172 0.000 3.278 657 W HA 0.219 4.879 4.660 0.000 0.000 0.308 657 W C -0.126 176.304 176.519 -0.148 0.000 1.253 657 W CA -0.576 56.669 57.345 -0.167 0.000 1.759 657 W CB 0.140 29.450 29.460 -0.251 0.000 1.093 657 W HN 0.467 nan 8.180 nan 0.000 0.648 658 Y N 1.626 122.015 120.300 0.148 0.000 2.379 658 Y HA -0.064 4.487 4.550 0.000 0.000 0.337 658 Y C 1.577 177.521 175.900 0.073 0.000 1.238 658 Y CA 0.281 58.436 58.100 0.092 0.000 1.405 658 Y CB 0.550 39.042 38.460 0.054 0.000 1.310 658 Y HN -0.073 nan 8.280 nan 0.000 0.569 659 D N 0.922 121.403 120.400 0.135 0.000 2.338 659 D HA -0.007 4.633 4.640 0.000 0.000 0.208 659 D C 0.401 176.204 176.300 -0.829 0.000 0.997 659 D CA 1.176 54.940 54.000 -0.394 0.000 0.880 659 D CB 0.242 40.701 40.800 -0.569 0.000 0.980 659 D HN 0.474 nan 8.370 nan 0.000 0.509 660 F N 0.243 120.258 119.950 0.109 0.000 2.817 660 F HA 0.264 4.792 4.527 0.000 0.000 0.319 660 F C 0.142 176.036 175.800 0.158 0.000 1.136 660 F CA -0.344 57.716 58.000 0.100 0.000 1.177 660 F CB 0.747 39.827 39.000 0.133 0.000 1.088 660 F HN -0.362 nan 8.300 nan 0.000 0.520 661 S N 0.358 116.202 115.700 0.240 0.000 2.526 661 S HA 0.306 4.776 4.470 0.000 0.000 0.293 661 S C -0.796 173.895 174.600 0.151 0.000 1.092 661 S CA -0.827 57.494 58.200 0.202 0.000 0.980 661 S CB 2.006 65.218 63.200 0.019 0.000 1.048 661 S HN 0.155 nan 8.310 nan 0.000 0.483 662 N N 1.401 120.173 118.700 0.121 0.000 2.515 662 N HA 0.262 5.003 4.740 0.000 0.000 0.279 662 N C 0.881 176.490 175.510 0.165 0.000 1.164 662 N CA -0.360 52.754 53.050 0.107 0.000 0.982 662 N CB 0.844 39.373 38.487 0.069 0.000 1.170 662 N HN 0.614 nan 8.380 nan 0.000 0.474 663 L N 2.312 123.634 121.223 0.165 0.000 2.191 663 L HA -0.220 4.120 4.340 0.000 0.000 0.212 663 L C 1.387 178.427 176.870 0.283 0.000 1.103 663 L CA 1.079 56.055 54.840 0.226 0.000 0.769 663 L CB -0.386 41.743 42.059 0.117 0.000 0.908 663 L HN 0.675 nan 8.230 nan 0.000 0.438 664 N N -0.863 117.945 118.700 0.179 0.000 2.609 664 N HA -0.202 4.538 4.740 0.000 0.000 0.190 664 N C 1.121 176.680 175.510 0.083 0.000 1.157 664 N CA 0.747 53.883 53.050 0.145 0.000 0.918 664 N CB -0.320 38.222 38.487 0.092 0.000 0.978 664 N HN 0.385 nan 8.380 nan 0.000 0.448 665 E N -1.433 118.786 120.200 0.032 0.000 2.479 665 E HA 0.065 4.415 4.350 0.000 0.000 0.193 665 E C -0.607 175.730 176.600 -0.439 0.000 1.049 665 E CA 0.099 56.370 56.400 -0.215 0.000 0.870 665 E CB 0.148 29.649 29.700 -0.332 0.000 0.944 665 E HN 0.437 nan 8.360 nan 0.000 0.492 666 Y N -0.417 119.969 120.300 0.143 0.000 2.602 666 Y HA 0.387 4.937 4.550 0.000 0.000 0.342 666 Y C 0.006 176.099 175.900 0.321 0.000 1.029 666 Y CA -1.256 56.990 58.100 0.243 0.000 1.080 666 Y CB 1.307 39.953 38.460 0.310 0.000 1.284 666 Y HN -0.187 nan 8.280 nan 0.000 0.485 667 I N 2.947 123.808 120.570 0.485 0.000 2.433 667 I HA 0.241 4.411 4.170 0.000 0.000 0.292 667 I C -0.989 175.226 176.117 0.165 0.000 1.001 667 I CA -0.814 60.660 61.300 0.289 0.000 1.119 667 I CB 1.466 39.563 38.000 0.162 0.000 1.289 667 I HN 0.379 nan 8.210 nan 0.000 0.438 668 L N 7.629 128.765 121.223 -0.146 0.000 2.264 668 L HA 0.446 4.787 4.340 0.000 0.000 0.289 668 L C -0.082 176.636 176.870 -0.252 0.000 1.044 668 L CA 0.050 54.467 54.840 -0.706 0.000 0.807 668 L CB 0.527 41.929 42.059 -1.096 0.000 1.192 668 L HN 0.558 nan 8.230 nan 0.000 0.425 669 R N 6.857 127.224 120.500 -0.221 0.000 2.352 669 R HA 0.320 4.660 4.340 0.000 0.000 0.304 669 R C -1.208 175.067 176.300 -0.042 0.000 1.104 669 R CA -0.532 55.510 56.100 -0.096 0.000 0.991 669 R CB 0.687 30.939 30.300 -0.079 0.000 1.140 669 R HN 0.811 nan 8.270 nan 0.000 0.540 670 W N 3.122 124.337 121.300 -0.142 0.000 2.594 670 W HA 0.568 5.228 4.660 0.000 0.000 0.365 670 W C -0.912 175.583 176.519 -0.040 0.000 1.196 670 W CA -1.053 56.241 57.345 -0.084 0.000 1.258 670 W CB 0.422 29.839 29.460 -0.072 0.000 1.405 670 W HN 0.561 nan 8.180 nan 0.000 0.640 671 N N -1.181 117.614 118.700 0.159 0.000 3.348 671 N HA 0.484 5.224 4.740 0.000 0.000 0.233 671 N C -2.621 173.020 175.510 0.218 0.000 1.440 671 N CA -0.873 52.158 53.050 -0.031 0.000 0.887 671 N CB 1.736 40.144 38.487 -0.133 0.000 1.410 671 N HN 0.262 nan 8.380 nan 0.000 0.502 672 V N -0.142 119.853 119.914 0.135 0.000 2.577 672 V HA 0.595 4.715 4.120 0.000 0.000 0.303 672 V C -0.774 175.359 176.094 0.064 0.000 1.042 672 V CA -0.583 61.809 62.300 0.152 0.000 0.872 672 V CB 1.439 33.368 31.823 0.177 0.000 0.998 672 V HN 0.691 nan 8.190 nan 0.000 0.423 673 K N 2.401 122.837 120.400 0.061 0.000 2.371 673 K HA 0.721 5.041 4.320 0.000 0.000 0.251 673 K C 0.268 176.825 176.600 -0.072 0.000 0.934 673 K CA -0.602 55.698 56.287 0.022 0.000 0.798 673 K CB 2.598 35.139 32.500 0.069 0.000 1.204 673 K HN 0.841 nan 8.250 nan 0.000 0.427 674 G N 0.488 109.246 108.800 -0.071 0.000 2.599 674 G HA2 -0.004 3.956 3.960 0.000 0.000 0.264 674 G HA3 -0.004 3.956 3.960 0.000 0.000 0.264 674 G C 0.680 175.519 174.900 -0.102 0.000 1.200 674 G CA -0.334 44.690 45.100 -0.127 0.000 0.896 674 G HN 0.896 nan 8.290 nan 0.000 0.536 675 E N -0.742 119.394 120.200 -0.105 0.000 2.265 675 E HA -0.181 4.169 4.350 0.000 0.000 0.196 675 E C 1.101 177.796 176.600 0.157 0.000 0.996 675 E CA 1.512 57.954 56.400 0.070 0.000 0.832 675 E CB -0.065 29.688 29.700 0.087 0.000 0.756 675 E HN 0.488 nan 8.360 nan 0.000 0.491 676 D N 0.020 120.485 120.400 0.108 0.000 2.355 676 D HA 0.036 4.677 4.640 0.000 0.000 0.218 676 D C 1.402 177.749 176.300 0.078 0.000 1.004 676 D CA 0.710 54.783 54.000 0.122 0.000 0.880 676 D CB 0.173 41.025 40.800 0.087 0.000 0.911 676 D HN 0.385 nan 8.370 nan 0.000 0.528 677 G N 0.302 109.135 108.800 0.055 0.000 2.157 677 G HA2 -0.239 3.721 3.960 0.000 0.000 0.239 677 G HA3 -0.239 3.721 3.960 0.000 0.000 0.239 677 G C 0.358 175.256 174.900 -0.004 0.000 0.982 677 G CA 0.375 45.483 45.100 0.014 0.000 0.650 677 G HN 0.743 nan 8.290 nan 0.000 0.527 678 T N -1.320 113.234 114.554 0.001 0.000 2.845 678 T HA 0.612 4.962 4.350 0.000 0.000 0.288 678 T C 0.362 175.051 174.700 -0.017 0.000 0.980 678 T CA -0.434 61.660 62.100 -0.011 0.000 1.071 678 T CB 2.498 71.362 68.868 -0.007 0.000 0.941 678 T HN 0.750 nan 8.240 nan 0.000 0.487 679 V N 5.276 125.172 119.914 -0.030 0.000 2.403 679 V HA 0.080 4.200 4.120 0.000 0.000 0.265 679 V C 1.344 177.417 176.094 -0.036 0.000 1.034 679 V CA -0.028 62.248 62.300 -0.040 0.000 1.036 679 V CB -0.396 31.387 31.823 -0.068 0.000 1.032 679 V HN 0.876 nan 8.190 nan 0.000 0.478 680 L N 4.097 125.308 121.223 -0.020 0.000 2.446 680 L HA 0.454 4.794 4.340 0.000 0.000 0.219 680 L C 0.880 177.747 176.870 -0.006 0.000 1.116 680 L CA 0.742 55.577 54.840 -0.008 0.000 0.844 680 L CB -0.026 42.036 42.059 0.005 0.000 0.970 680 L HN 0.787 nan 8.230 nan 0.000 0.457 681 A N 0.460 123.261 122.820 -0.033 0.000 2.581 681 A HA 0.599 4.919 4.320 0.000 0.000 0.294 681 A C -1.313 176.099 177.584 -0.287 0.000 1.035 681 A CA -0.653 51.338 52.037 -0.077 0.000 0.684 681 A CB 1.135 20.186 19.000 0.084 0.000 1.282 681 A HN 0.149 nan 8.150 nan 0.000 0.417 682 E N 0.186 120.038 120.200 -0.579 0.000 2.437 682 E HA 0.783 5.133 4.350 0.000 0.000 0.280 682 E C -0.202 175.597 176.600 -1.335 0.000 1.044 682 E CA -0.696 55.095 56.400 -1.015 0.000 0.826 682 E CB 1.670 31.050 29.700 -0.532 0.000 1.358 682 E HN 2.044 nan 8.360 nan 0.000 0.459 683 G N -0.210 107.643 108.800 -1.578 0.000 2.451 683 G HA2 0.534 4.495 3.960 0.000 0.000 0.292 683 G HA3 0.534 4.495 3.960 0.000 0.000 0.292 683 G C -1.531 173.088 174.900 -0.470 0.000 1.427 683 G CA -0.522 44.059 45.100 -0.866 0.000 0.792 683 G HN 0.476 nan 8.290 nan 0.000 0.498 684 T N 0.681 115.223 114.554 -0.020 0.000 2.921 684 T HA 0.696 5.047 4.350 0.000 0.000 0.297 684 T C -0.721 174.061 174.700 0.136 0.000 1.013 684 T CA -0.529 61.601 62.100 0.050 0.000 0.990 684 T CB 1.969 70.829 68.868 -0.013 0.000 1.023 684 T HN 0.483 nan 8.240 nan 0.000 0.447 685 K N 1.433 121.905 120.400 0.120 0.000 2.443 685 K HA 0.610 4.930 4.320 0.000 0.000 0.251 685 K C -0.775 175.884 176.600 0.098 0.000 0.972 685 K CA -0.797 55.552 56.287 0.104 0.000 0.833 685 K CB 1.829 34.384 32.500 0.092 0.000 1.317 685 K HN 0.466 nan 8.250 nan 0.000 0.441 686 E N 1.189 121.461 120.200 0.121 0.000 2.182 686 E HA 0.322 4.672 4.350 0.000 0.000 0.258 686 E C -1.098 175.604 176.600 0.171 0.000 0.879 686 E CA -0.674 55.822 56.400 0.159 0.000 0.754 686 E CB 1.727 31.497 29.700 0.117 0.000 1.162 686 E HN 0.158 nan 8.360 nan 0.000 0.419 687 V N 3.127 123.193 119.914 0.254 0.000 2.472 687 V HA 0.227 4.348 4.120 0.000 0.000 0.290 687 V C -0.043 176.159 176.094 0.180 0.000 1.037 687 V CA -0.838 61.596 62.300 0.222 0.000 0.908 687 V CB 1.660 33.674 31.823 0.318 0.000 0.985 687 V HN 0.582 nan 8.190 nan 0.000 0.454 688 D N 2.475 122.946 120.400 0.118 0.000 2.198 688 D HA 0.535 5.176 4.640 0.000 0.000 0.245 688 D C -0.675 175.667 176.300 0.070 0.000 1.079 688 D CA 0.047 54.100 54.000 0.088 0.000 0.854 688 D CB 1.824 42.661 40.800 0.061 0.000 1.148 688 D HN 0.637 nan 8.370 nan 0.000 0.456 689 C N 2.669 122.005 119.300 0.060 0.000 3.046 689 C HA 0.110 4.570 4.460 0.000 0.000 0.388 689 C C -0.796 174.207 174.990 0.022 0.000 1.041 689 C CA -0.669 58.367 59.018 0.030 0.000 1.241 689 C CB 1.180 28.931 27.740 0.019 0.000 1.638 689 C HN 0.503 nan 8.230 nan 0.000 0.539 690 E N 3.966 124.165 120.200 -0.001 0.000 2.390 690 E HA 0.279 4.630 4.350 0.000 0.000 0.261 690 E C -2.275 174.304 176.600 -0.034 0.000 1.076 690 E CA -1.768 54.623 56.400 -0.015 0.000 0.905 690 E CB 0.451 30.135 29.700 -0.027 0.000 0.984 690 E HN 0.458 nan 8.360 nan 0.000 0.427 691 P HA -0.028 nan 4.420 nan 0.000 0.265 691 P C -0.457 176.781 177.300 -0.104 0.000 1.193 691 P CA 0.794 63.834 63.100 -0.099 0.000 0.765 691 P CB 0.139 31.686 31.700 -0.254 0.000 0.823 692 H N -1.295 117.667 119.070 -0.180 0.000 3.415 692 H HA -0.206 4.350 4.556 0.000 0.000 0.213 692 H C 0.306 175.463 175.328 -0.286 0.000 1.091 692 H CA 0.094 55.973 56.048 -0.282 0.000 1.182 692 H CB -1.495 28.164 29.762 -0.172 0.000 1.160 692 H HN 0.573 nan 8.280 nan 0.000 0.319 693 A N 1.445 124.202 122.820 -0.104 0.000 2.281 693 A HA 0.655 4.975 4.320 0.000 0.000 0.329 693 A C 0.799 178.294 177.584 -0.149 0.000 1.122 693 A CA 0.261 52.232 52.037 -0.109 0.000 0.850 693 A CB 1.119 20.082 19.000 -0.061 0.000 1.207 693 A HN 0.341 nan 8.150 nan 0.000 0.495 694 T N -2.071 112.413 114.554 -0.117 0.000 2.940 694 T HA 0.699 5.049 4.350 0.000 0.000 0.288 694 T C -0.645 174.024 174.700 -0.053 0.000 1.033 694 T CA -0.624 61.413 62.100 -0.104 0.000 1.033 694 T CB 1.351 70.160 68.868 -0.099 0.000 1.079 694 T HN 1.790 nan 8.240 nan 0.000 0.496 695 V N 0.674 120.569 119.914 -0.031 0.000 2.969 695 V HA 0.439 4.559 4.120 0.000 0.000 0.304 695 V C -1.936 174.160 176.094 0.004 0.000 1.192 695 V CA -0.850 61.446 62.300 -0.005 0.000 0.962 695 V CB 2.315 34.147 31.823 0.016 0.000 1.045 695 V HN 1.095 nan 8.190 nan 0.000 0.428 696 D N 4.226 124.625 120.400 -0.002 0.000 2.177 696 D HA 0.568 5.208 4.640 0.000 0.000 0.247 696 D C -0.754 175.539 176.300 -0.011 0.000 1.063 696 D CA 0.024 54.016 54.000 -0.013 0.000 0.867 696 D CB 2.174 42.959 40.800 -0.025 0.000 1.168 696 D HN 0.379 nan 8.370 nan 0.000 0.445 697 V N 2.289 122.186 119.914 -0.028 0.000 2.447 697 V HA 0.185 4.305 4.120 0.000 0.000 0.292 697 V C 0.177 176.201 176.094 -0.116 0.000 1.021 697 V CA -0.684 61.586 62.300 -0.050 0.000 0.850 697 V CB 1.861 33.668 31.823 -0.027 0.000 1.005 697 V HN 0.466 nan 8.190 nan 0.000 0.426 698 T N 6.267 120.753 114.554 -0.112 0.000 2.794 698 T HA 0.412 4.762 4.350 0.000 0.000 0.296 698 T C 1.143 175.713 174.700 -0.216 0.000 0.949 698 T CA -0.037 61.978 62.100 -0.143 0.000 1.101 698 T CB 1.013 69.827 68.868 -0.090 0.000 0.905 698 T HN 0.450 nan 8.240 nan 0.000 0.516 699 L N 2.383 123.409 121.223 -0.329 0.000 2.408 699 L HA 0.368 4.708 4.340 0.000 0.000 0.215 699 L C 1.329 178.031 176.870 -0.280 0.000 1.081 699 L CA 0.017 54.526 54.840 -0.552 0.000 0.840 699 L CB -0.311 41.148 42.059 -1.001 0.000 1.002 699 L HN 0.926 nan 8.230 nan 0.000 0.468 700 G N 0.339 109.042 108.800 -0.162 0.000 2.788 700 G HA2 0.063 4.023 3.960 0.000 0.000 0.686 700 G HA3 0.063 4.023 3.960 0.000 0.000 0.686 700 G C -0.207 174.684 174.900 -0.014 0.000 1.147 700 G CA -0.735 44.334 45.100 -0.052 0.000 0.755 700 G HN 0.362 nan 8.290 nan 0.000 0.634 701 A N 0.311 123.130 122.820 -0.001 0.000 2.547 701 A HA 0.571 4.892 4.320 0.000 0.000 0.233 701 A C 0.752 178.364 177.584 0.047 0.000 1.067 701 A CA 0.974 53.020 52.037 0.015 0.000 0.763 701 A CB 0.508 19.515 19.000 0.011 0.000 1.007 701 A HN 2.063 nan 8.150 nan 0.000 0.506 702 V N 2.925 122.868 119.914 0.050 0.000 2.709 702 V HA 0.270 4.390 4.120 0.000 0.000 0.308 702 V C -0.217 175.901 176.094 0.040 0.000 1.062 702 V CA -1.121 61.217 62.300 0.064 0.000 0.901 702 V CB 2.019 33.900 31.823 0.095 0.000 1.003 702 V HN 0.854 nan 8.190 nan 0.000 0.425 703 K N 4.686 125.106 120.400 0.034 0.000 2.363 703 K HA 0.403 4.724 4.320 0.000 0.000 0.289 703 K C -0.788 175.821 176.600 0.016 0.000 1.063 703 K CA 0.080 56.380 56.287 0.022 0.000 0.967 703 K CB 0.571 33.082 32.500 0.019 0.000 0.987 703 K HN 0.500 nan 8.250 nan 0.000 0.473 704 L N 6.547 127.776 121.223 0.011 0.000 2.272 704 L HA 0.310 4.650 4.340 0.000 0.000 0.289 704 L C -1.390 175.482 176.870 0.003 0.000 1.032 704 L CA -1.911 52.930 54.840 0.001 0.000 0.810 704 L CB 1.095 43.151 42.059 -0.005 0.000 1.205 704 L HN 0.393 nan 8.230 nan 0.000 0.422 705 P HA 0.052 nan 4.420 nan 0.000 0.271 705 P C -0.171 177.136 177.300 0.012 0.000 1.233 705 P CA -0.402 62.703 63.100 0.007 0.000 0.789 705 P CB 0.624 32.328 31.700 0.007 0.000 0.951 706 N N -0.578 118.132 118.700 0.016 0.000 2.398 706 N HA -0.066 4.674 4.740 0.000 0.000 0.188 706 N C 0.855 176.384 175.510 0.032 0.000 1.122 706 N CA 0.532 53.596 53.050 0.023 0.000 0.866 706 N CB -0.792 37.708 38.487 0.021 0.000 0.970 706 N HN 0.479 nan 8.380 nan 0.000 0.462 707 T N -2.271 112.301 114.554 0.030 0.000 3.107 707 T HA 0.168 4.518 4.350 0.000 0.000 0.249 707 T C 0.749 175.486 174.700 0.062 0.000 1.096 707 T CA -0.078 62.047 62.100 0.042 0.000 1.012 707 T CB -0.475 68.411 68.868 0.031 0.000 0.977 707 T HN 0.096 nan 8.240 nan 0.000 0.527 708 V N -1.282 118.659 119.914 0.044 0.000 2.604 708 V HA 0.611 4.731 4.120 0.000 0.000 0.305 708 V C 0.727 176.837 176.094 0.028 0.000 1.043 708 V CA -1.418 60.904 62.300 0.037 0.000 0.888 708 V CB 1.990 33.807 31.823 -0.011 0.000 0.995 708 V HN 0.050 nan 8.190 nan 0.000 0.429 709 R N 1.721 122.241 120.500 0.034 0.000 2.240 709 R HA 0.242 4.582 4.340 0.000 0.000 0.203 709 R C 0.183 176.480 176.300 -0.006 0.000 1.011 709 R CA 1.104 57.222 56.100 0.030 0.000 1.007 709 R CB 0.214 30.537 30.300 0.038 0.000 0.911 709 R HN 0.986 nan 8.270 nan 0.000 0.468 710 E N -1.357 118.802 120.200 -0.068 0.000 2.409 710 E HA 0.635 4.985 4.350 0.000 0.000 0.280 710 E C -1.792 174.584 176.600 -0.373 0.000 1.079 710 E CA -1.071 55.240 56.400 -0.148 0.000 0.840 710 E CB 1.166 30.818 29.700 -0.080 0.000 1.309 710 E HN -0.029 nan 8.360 nan 0.000 0.447 711 A N 0.625 123.181 122.820 -0.439 0.000 2.485 711 A HA 0.795 5.115 4.320 0.000 0.000 0.292 711 A C -1.936 175.285 177.584 -0.606 0.000 1.147 711 A CA -0.793 50.903 52.037 -0.569 0.000 0.750 711 A CB 1.112 19.990 19.000 -0.204 0.000 1.331 711 A HN 0.511 nan 8.150 nan 0.000 0.419 712 Y N -0.317 120.023 120.300 0.067 0.000 2.373 712 Y HA 0.531 5.082 4.550 0.000 0.000 0.336 712 Y C -0.429 175.544 175.900 0.123 0.000 0.979 712 Y CA -1.083 57.067 58.100 0.084 0.000 1.080 712 Y CB 1.691 40.178 38.460 0.045 0.000 1.190 712 Y HN 0.537 nan 8.280 nan 0.000 0.446 713 L N 4.549 125.962 121.223 0.317 0.000 2.283 713 L HA 0.437 4.778 4.340 0.000 0.000 0.287 713 L C -0.941 176.122 176.870 0.323 0.000 1.073 713 L CA -0.242 54.792 54.840 0.323 0.000 0.822 713 L CB -0.219 42.045 42.059 0.342 0.000 1.186 713 L HN 0.639 nan 8.230 nan 0.000 0.436 714 N N 5.623 124.487 118.700 0.275 0.000 2.421 714 N HA 0.633 5.374 4.740 0.000 0.000 0.285 714 N C -1.336 174.314 175.510 0.234 0.000 1.027 714 N CA -0.575 52.599 53.050 0.206 0.000 0.918 714 N CB 1.385 39.950 38.487 0.131 0.000 1.152 714 N HN 0.519 nan 8.380 nan 0.000 0.485 715 L N 1.285 122.633 121.223 0.209 0.000 2.381 715 L HA 0.551 4.891 4.340 0.000 0.000 0.274 715 L C -0.507 176.441 176.870 0.129 0.000 0.988 715 L CA -0.637 54.300 54.840 0.162 0.000 0.824 715 L CB 1.851 44.057 42.059 0.246 0.000 1.263 715 L HN 0.455 nan 8.230 nan 0.000 0.410 716 S N 2.190 117.874 115.700 -0.027 0.000 2.557 716 S HA 0.700 5.171 4.470 0.000 0.000 0.291 716 S C -1.749 172.816 174.600 -0.059 0.000 1.116 716 S CA -0.431 57.803 58.200 0.057 0.000 0.992 716 S CB 0.876 64.097 63.200 0.035 0.000 1.028 716 S HN 0.424 nan 8.310 nan 0.000 0.484 717 W N 2.583 123.967 121.300 0.140 0.000 2.689 717 W HA 0.717 5.377 4.660 0.000 0.000 0.340 717 W C 0.205 176.822 176.519 0.164 0.000 1.060 717 W CA -0.383 57.053 57.345 0.152 0.000 1.218 717 W CB 1.862 31.396 29.460 0.124 0.000 1.410 717 W HN 0.767 nan 8.180 nan 0.000 0.528 718 S N 0.911 116.895 115.700 0.474 0.000 2.638 718 S HA 0.733 5.203 4.470 0.000 0.000 0.274 718 S C -0.929 173.965 174.600 0.491 0.000 1.157 718 S CA -1.470 56.969 58.200 0.398 0.000 0.826 718 S CB 1.857 65.203 63.200 0.242 0.000 1.139 718 S HN 0.575 nan 8.310 nan 0.000 0.474 719 R N 0.559 121.289 120.500 0.382 0.000 2.404 719 R HA 0.520 4.860 4.340 0.000 0.000 0.291 719 R C 0.183 176.507 176.300 0.041 0.000 1.025 719 R CA -0.804 55.383 56.100 0.145 0.000 0.991 719 R CB 0.814 31.148 30.300 0.058 0.000 1.053 719 R HN 0.726 nan 8.270 nan 0.000 0.479 720 K N 1.301 121.666 120.400 -0.058 0.000 2.057 720 K HA -0.088 4.232 4.320 0.000 0.000 0.206 720 K C -0.015 176.569 176.600 -0.027 0.000 1.050 720 K CA 1.438 57.712 56.287 -0.023 0.000 0.935 720 K CB 0.099 32.574 32.500 -0.042 0.000 0.715 720 K HN 0.635 nan 8.250 nan 0.000 0.439 721 E N 0.335 120.496 120.200 -0.066 0.000 2.151 721 E HA 0.355 4.705 4.350 0.000 0.000 0.275 721 E C -1.162 175.423 176.600 -0.025 0.000 0.936 721 E CA -0.666 55.709 56.400 -0.042 0.000 0.777 721 E CB 1.815 31.483 29.700 -0.054 0.000 1.108 721 E HN 0.183 nan 8.360 nan 0.000 0.401 722 A N 2.845 125.664 122.820 -0.002 0.000 2.351 722 A HA 0.365 4.685 4.320 0.000 0.000 0.257 722 A C 0.202 177.786 177.584 -0.000 0.000 1.087 722 A CA -0.133 51.910 52.037 0.009 0.000 0.798 722 A CB 1.219 20.229 19.000 0.016 0.000 1.033 722 A HN 0.512 nan 8.150 nan 0.000 0.488 723 T N 0.081 114.633 114.554 -0.004 0.000 2.942 723 T HA 0.565 4.915 4.350 0.000 0.000 0.289 723 T C -2.047 172.644 174.700 -0.015 0.000 1.044 723 T CA -1.525 60.575 62.100 -0.000 0.000 1.023 723 T CB 1.243 70.106 68.868 -0.009 0.000 1.123 723 T HN 0.346 nan 8.240 nan 0.000 0.512 724 P HA 0.144 nan 4.420 nan 0.000 0.228 724 P C 0.799 178.013 177.300 -0.144 0.000 1.151 724 P CA 0.784 63.872 63.100 -0.021 0.000 0.770 724 P CB 0.105 31.864 31.700 0.098 0.000 0.786 725 L N -3.021 118.076 121.223 -0.209 0.000 2.609 725 L HA 0.172 4.512 4.340 0.000 0.000 0.230 725 L C 0.259 176.970 176.870 -0.265 0.000 1.064 725 L CA 0.134 54.800 54.840 -0.290 0.000 0.873 725 L CB 0.492 42.313 42.059 -0.397 0.000 1.139 725 L HN -0.335 nan 8.230 nan 0.000 0.490 726 V N 1.294 121.094 119.914 -0.190 0.000 2.447 726 V HA 0.186 4.306 4.120 0.000 0.000 0.292 726 V C -0.875 175.200 176.094 -0.031 0.000 1.021 726 V CA -1.028 61.166 62.300 -0.177 0.000 0.850 726 V CB 1.568 33.307 31.823 -0.140 0.000 1.005 726 V HN 0.205 nan 8.190 nan 0.000 0.426 727 D N 2.539 122.946 120.400 0.012 0.000 2.447 727 D HA 0.140 4.781 4.640 0.000 0.000 0.265 727 D C 1.435 177.812 176.300 0.127 0.000 1.250 727 D CA 0.261 54.297 54.000 0.062 0.000 1.046 727 D CB 0.528 41.364 40.800 0.059 0.000 1.095 727 D HN 0.525 nan 8.370 nan 0.000 0.555 728 T N -4.039 110.577 114.554 0.104 0.000 3.113 728 T HA -0.059 4.291 4.350 0.000 0.000 0.263 728 T C 0.642 175.427 174.700 0.143 0.000 1.143 728 T CA 0.525 62.695 62.100 0.117 0.000 1.090 728 T CB -0.262 68.651 68.868 0.075 0.000 0.922 728 T HN 0.320 nan 8.240 nan 0.000 0.521 729 D N -0.474 120.022 120.400 0.160 0.000 2.327 729 D HA 0.024 4.665 4.640 0.000 0.000 0.205 729 D C 0.475 176.895 176.300 0.200 0.000 0.989 729 D CA -0.119 53.972 54.000 0.151 0.000 0.873 729 D CB -0.037 40.840 40.800 0.129 0.000 0.955 729 D HN 0.541 nan 8.370 nan 0.000 0.515 730 W N 3.070 124.403 121.300 0.054 0.000 2.251 730 W HA 0.036 4.696 4.660 0.000 0.000 0.327 730 W C 0.401 176.978 176.519 0.097 0.000 1.361 730 W CA 0.002 57.380 57.345 0.056 0.000 1.234 730 W CB 0.450 29.935 29.460 0.041 0.000 1.212 730 W HN -0.125 nan 8.180 nan 0.000 0.557 731 E N 4.124 124.061 120.200 -0.439 0.000 2.129 731 E HA 0.097 4.447 4.350 0.000 0.000 0.283 731 E C 0.892 177.396 176.600 -0.161 0.000 1.080 731 E CA -0.215 56.061 56.400 -0.207 0.000 0.867 731 E CB 1.000 30.556 29.700 -0.241 0.000 1.056 731 E HN 0.445 nan 8.360 nan 0.000 0.404 732 V N 1.948 121.952 119.914 0.150 0.000 3.052 732 V HA 0.442 4.562 4.120 0.000 0.000 0.254 732 V C 0.495 176.650 176.094 0.103 0.000 1.100 732 V CA 0.757 63.179 62.300 0.203 0.000 1.112 732 V CB -0.212 31.776 31.823 0.276 0.000 0.738 732 V HN 0.558 nan 8.190 nan 0.000 0.469 733 A N -0.158 122.756 122.820 0.157 0.000 2.605 733 A HA 0.844 5.164 4.320 0.000 0.000 0.294 733 A C -1.244 176.535 177.584 0.324 0.000 1.062 733 A CA -0.311 51.769 52.037 0.072 0.000 0.682 733 A CB 1.283 20.224 19.000 -0.098 0.000 1.278 733 A HN 1.291 nan 8.150 nan 0.000 0.410 734 Y N -1.027 119.372 120.300 0.165 0.000 2.656 734 Y HA 0.872 5.422 4.550 0.000 0.000 0.334 734 Y C -1.393 174.573 175.900 0.111 0.000 1.179 734 Y CA -1.146 57.060 58.100 0.177 0.000 1.050 734 Y CB 1.093 39.593 38.460 0.066 0.000 1.308 734 Y HN 0.565 nan 8.280 nan 0.000 0.456 735 D N 0.457 121.028 120.400 0.286 0.000 2.599 735 D HA 0.338 4.978 4.640 0.000 0.000 0.252 735 D C -1.883 174.384 176.300 -0.055 0.000 1.232 735 D CA -0.558 53.466 54.000 0.040 0.000 0.819 735 D CB 2.994 43.815 40.800 0.035 0.000 1.401 735 D HN 0.702 nan 8.370 nan 0.000 0.429 736 Q N 0.701 120.260 119.800 -0.401 0.000 2.340 736 Q HA 0.537 4.877 4.340 0.000 0.000 0.276 736 Q C -1.903 173.673 176.000 -0.707 0.000 1.048 736 Q CA -0.585 55.022 55.803 -0.327 0.000 0.832 736 Q CB 1.783 30.455 28.738 -0.110 0.000 1.373 736 Q HN 0.307 nan 8.270 nan 0.000 0.409 737 F N 1.239 121.274 119.950 0.141 0.000 2.556 737 F HA 0.456 4.983 4.527 0.000 0.000 0.314 737 F C -0.476 175.425 175.800 0.169 0.000 1.106 737 F CA -0.867 57.209 58.000 0.127 0.000 0.911 737 F CB 1.960 41.020 39.000 0.099 0.000 1.190 737 F HN 0.202 nan 8.300 nan 0.000 0.448 738 V N 4.773 124.874 119.914 0.312 0.000 2.385 738 V HA 0.315 4.436 4.120 0.000 0.000 0.269 738 V C -0.049 176.164 176.094 0.199 0.000 1.043 738 V CA -0.561 61.916 62.300 0.296 0.000 0.906 738 V CB 0.886 32.863 31.823 0.257 0.000 0.995 738 V HN 0.514 nan 8.190 nan 0.000 0.467 739 L N 4.731 126.032 121.223 0.131 0.000 2.282 739 L HA 0.672 5.012 4.340 0.000 0.000 0.288 739 L C 0.744 177.627 176.870 0.022 0.000 1.033 739 L CA -0.458 54.422 54.840 0.067 0.000 0.807 739 L CB 1.323 43.409 42.059 0.045 0.000 1.209 739 L HN 0.701 nan 8.230 nan 0.000 0.423 740 A N 2.629 125.470 122.820 0.035 0.000 2.477 740 A HA 0.573 4.893 4.320 0.000 0.000 0.246 740 A C 0.599 178.188 177.584 0.009 0.000 1.078 740 A CA 0.545 52.598 52.037 0.027 0.000 0.770 740 A CB 0.403 19.425 19.000 0.037 0.000 1.011 740 A HN 0.890 nan 8.150 nan 0.000 0.494 741 G N 0.672 109.475 108.800 0.005 0.000 3.356 741 G HA2 0.337 4.297 3.960 0.000 0.000 0.178 741 G HA3 0.337 4.297 3.960 0.000 0.000 0.178 741 G C -0.266 174.647 174.900 0.020 0.000 1.175 741 G CA -0.298 44.804 45.100 0.003 0.000 0.840 741 G HN 0.676 nan 8.290 nan 0.000 0.658 742 N N 1.112 119.828 118.700 0.027 0.000 2.558 742 N HA 0.111 4.851 4.740 0.000 0.000 0.233 742 N C 1.391 176.936 175.510 0.057 0.000 1.038 742 N CA -0.282 52.792 53.050 0.040 0.000 0.934 742 N CB 1.126 39.638 38.487 0.042 0.000 1.175 742 N HN 0.569 nan 8.380 nan 0.000 0.512 743 K N 1.941 122.375 120.400 0.056 0.000 2.360 743 K HA -0.086 4.234 4.320 0.000 0.000 0.201 743 K C 0.560 177.214 176.600 0.089 0.000 1.046 743 K CA 1.350 57.679 56.287 0.071 0.000 0.940 743 K CB 0.027 32.565 32.500 0.062 0.000 0.748 743 K HN 0.438 nan 8.250 nan 0.000 0.465 744 N N 0.357 119.105 118.700 0.080 0.000 2.392 744 N HA -0.055 4.685 4.740 0.000 0.000 0.177 744 N C 0.161 175.729 175.510 0.097 0.000 1.066 744 N CA 0.082 53.182 53.050 0.083 0.000 0.895 744 N CB 0.368 38.890 38.487 0.059 0.000 0.988 744 N HN 0.139 nan 8.380 nan 0.000 0.457 745 T N 0.358 114.974 114.554 0.104 0.000 2.903 745 T HA 0.037 4.387 4.350 0.000 0.000 0.314 745 T C 1.015 175.820 174.700 0.175 0.000 1.078 745 T CA 0.406 62.572 62.100 0.110 0.000 1.114 745 T CB 0.646 69.577 68.868 0.106 0.000 0.987 745 T HN 0.259 nan 8.240 nan 0.000 0.548 746 T N 0.746 115.349 114.554 0.082 0.000 3.399 746 T HA 0.468 4.819 4.350 0.000 0.000 0.305 746 T C 1.419 175.982 174.700 -0.228 0.000 0.983 746 T CA 0.122 62.178 62.100 -0.072 0.000 0.967 746 T CB -0.104 68.686 68.868 -0.129 0.000 1.186 746 T HN 0.599 nan 8.240 nan 0.000 0.504 747 A N 1.006 123.801 122.820 -0.040 0.000 2.216 747 A HA 0.137 4.457 4.320 0.000 0.000 0.214 747 A C 1.702 179.232 177.584 -0.090 0.000 1.160 747 A CA 1.033 53.031 52.037 -0.065 0.000 0.725 747 A CB -0.944 18.061 19.000 0.009 0.000 0.784 747 A HN 0.907 nan 8.150 nan 0.000 0.472 748 Y N -1.000 119.243 120.300 -0.094 0.000 2.301 748 Y HA 0.297 4.847 4.550 0.000 0.000 0.295 748 Y C 0.914 176.569 175.900 -0.408 0.000 1.119 748 Y CA -0.509 57.498 58.100 -0.155 0.000 1.162 748 Y CB -0.393 38.059 38.460 -0.013 0.000 1.046 748 Y HN 0.044 nan 8.280 nan 0.000 0.538 749 R N 3.631 123.267 120.500 -1.439 0.000 2.619 749 R HA 0.049 4.389 4.340 0.000 0.000 0.268 749 R C -2.209 173.549 176.300 -0.904 0.000 0.990 749 R CA -1.054 54.245 56.100 -1.335 0.000 1.092 749 R CB -0.457 29.207 30.300 -1.059 0.000 0.935 749 R HN 0.289 nan 8.270 nan 0.000 0.415 750 P HA 0.024 nan 4.420 nan 0.000 0.278 750 P C -1.068 176.034 177.300 -0.329 0.000 1.258 750 P CA -0.555 62.195 63.100 -0.583 0.000 0.811 750 P CB 0.714 32.058 31.700 -0.594 0.000 1.063 751 Q N 0.495 120.177 119.800 -0.196 0.000 2.368 751 Q HA 0.234 4.574 4.340 0.000 0.000 0.237 751 Q C 0.049 176.020 176.000 -0.048 0.000 0.987 751 Q CA -0.796 54.944 55.803 -0.106 0.000 0.896 751 Q CB 0.738 29.429 28.738 -0.080 0.000 1.241 751 Q HN 0.294 nan 8.270 nan 0.000 0.485 752 K N 0.176 120.565 120.400 -0.019 0.000 2.484 752 K HA 0.050 4.370 4.320 0.000 0.000 0.280 752 K C 0.104 176.707 176.600 0.004 0.000 1.013 752 K CA 0.658 56.948 56.287 0.005 0.000 1.029 752 K CB 0.400 32.900 32.500 0.001 0.000 0.902 752 K HN 0.755 nan 8.250 nan 0.000 0.481 753 A N 3.687 126.517 122.820 0.018 0.000 2.147 753 A HA 0.295 4.615 4.320 0.000 0.000 0.211 753 A C 0.836 178.430 177.584 0.017 0.000 1.160 753 A CA 1.098 53.147 52.037 0.020 0.000 0.781 753 A CB 0.016 19.037 19.000 0.035 0.000 0.842 753 A HN 0.964 nan 8.150 nan 0.000 0.475 754 G N -0.950 107.858 108.800 0.014 0.000 2.398 754 G HA2 0.336 4.296 3.960 0.000 0.000 0.251 754 G HA3 0.336 4.296 3.960 0.000 0.000 0.251 754 G C -1.782 173.123 174.900 0.008 0.000 1.277 754 G CA -0.670 44.436 45.100 0.010 0.000 0.927 754 G HN 0.008 nan 8.290 nan 0.000 0.477 755 E N 0.850 121.053 120.200 0.005 0.000 2.194 755 E HA 0.609 4.960 4.350 0.000 0.000 0.284 755 E C -0.250 176.353 176.600 0.005 0.000 1.035 755 E CA 0.174 56.576 56.400 0.002 0.000 0.836 755 E CB 1.241 30.938 29.700 -0.004 0.000 1.070 755 E HN 0.448 nan 8.360 nan 0.000 0.401 756 T N 2.058 116.617 114.554 0.009 0.000 2.824 756 T HA 0.780 5.130 4.350 0.000 0.000 0.280 756 T C -0.666 174.053 174.700 0.031 0.000 0.995 756 T CA -0.603 61.508 62.100 0.019 0.000 1.009 756 T CB 1.371 70.250 68.868 0.018 0.000 0.955 756 T HN 0.454 nan 8.240 nan 0.000 0.452 757 A N 2.764 125.602 122.820 0.030 0.000 2.498 757 A HA 0.935 5.255 4.320 0.000 0.000 0.298 757 A C -1.398 176.222 177.584 0.061 0.000 1.075 757 A CA -0.945 51.090 52.037 -0.002 0.000 0.714 757 A CB 1.273 20.232 19.000 -0.069 0.000 1.299 757 A HN 0.859 nan 8.150 nan 0.000 0.407 758 F N -0.443 119.449 119.950 -0.097 0.000 2.601 758 F HA 0.807 5.334 4.527 0.000 0.000 0.309 758 F C -1.370 174.344 175.800 -0.143 0.000 1.089 758 F CA -1.156 56.760 58.000 -0.140 0.000 0.940 758 F CB 1.304 40.197 39.000 -0.177 0.000 1.273 758 F HN 0.372 nan 8.300 nan 0.000 0.450 759 V N 3.026 122.921 119.914 -0.031 0.000 2.680 759 V HA 0.660 4.781 4.120 0.000 0.000 0.309 759 V C -0.692 175.378 176.094 -0.041 0.000 1.052 759 V CA -0.936 61.300 62.300 -0.107 0.000 0.908 759 V CB 1.774 33.538 31.823 -0.098 0.000 1.001 759 V HN 0.805 nan 8.190 nan 0.000 0.431 760 V N 2.538 122.425 119.914 -0.045 0.000 2.435 760 V HA 0.315 4.435 4.120 0.000 0.000 0.290 760 V C -0.190 175.880 176.094 -0.039 0.000 1.030 760 V CA -0.620 61.642 62.300 -0.063 0.000 0.881 760 V CB 1.804 33.640 31.823 0.022 0.000 0.983 760 V HN 0.994 nan 8.190 nan 0.000 0.445 761 D N 3.288 123.660 120.400 -0.047 0.000 2.401 761 D HA 0.117 4.757 4.640 0.000 0.000 0.254 761 D C 1.134 177.443 176.300 0.016 0.000 1.192 761 D CA 0.140 54.129 54.000 -0.018 0.000 0.885 761 D CB 0.859 41.647 40.800 -0.019 0.000 1.147 761 D HN 0.470 nan 8.370 nan 0.000 0.478 762 K N 2.305 122.715 120.400 0.015 0.000 2.362 762 K HA -0.083 4.237 4.320 0.000 0.000 0.200 762 K C 0.751 177.375 176.600 0.039 0.000 1.046 762 K CA 0.798 57.103 56.287 0.030 0.000 0.952 762 K CB 0.106 32.617 32.500 0.018 0.000 0.753 762 K HN 0.411 nan 8.250 nan 0.000 0.466 763 N N -0.707 118.013 118.700 0.034 0.000 2.439 763 N HA -0.071 4.669 4.740 0.000 0.000 0.176 763 N C 1.538 177.081 175.510 0.055 0.000 1.029 763 N CA 1.233 54.307 53.050 0.040 0.000 0.886 763 N CB 0.356 38.860 38.487 0.028 0.000 1.057 763 N HN 0.168 nan 8.380 nan 0.000 0.437 764 T N -4.220 110.366 114.554 0.054 0.000 3.015 764 T HA 0.317 4.667 4.350 0.000 0.000 0.250 764 T C 1.593 176.358 174.700 0.109 0.000 1.057 764 T CA 0.493 62.635 62.100 0.071 0.000 1.066 764 T CB 0.278 69.172 68.868 0.043 0.000 0.959 764 T HN 0.203 nan 8.240 nan 0.000 0.488 765 G N 1.686 110.545 108.800 0.098 0.000 2.184 765 G HA2 -0.089 3.871 3.960 0.000 0.000 0.264 765 G HA3 -0.089 3.871 3.960 0.000 0.000 0.264 765 G C 0.337 175.285 174.900 0.080 0.000 0.975 765 G CA 0.093 45.289 45.100 0.159 0.000 0.642 765 G HN 1.204 nan 8.290 nan 0.000 0.536 766 A N 0.441 123.240 122.820 -0.036 0.000 2.322 766 A HA 0.677 4.997 4.320 0.000 0.000 0.269 766 A C 0.722 178.164 177.584 -0.236 0.000 1.094 766 A CA -0.376 51.560 52.037 -0.167 0.000 0.807 766 A CB 0.630 19.559 19.000 -0.119 0.000 1.047 766 A HN 1.011 nan 8.150 nan 0.000 0.487 767 L N 3.115 124.116 121.223 -0.370 0.000 2.515 767 L HA 0.103 4.443 4.340 0.000 0.000 0.281 767 L C 1.322 178.038 176.870 -0.257 0.000 1.131 767 L CA 0.951 55.501 54.840 -0.484 0.000 0.905 767 L CB 0.198 41.900 42.059 -0.595 0.000 1.246 767 L HN 0.959 nan 8.230 nan 0.000 0.463 768 S N 1.977 117.569 115.700 -0.180 0.000 2.501 768 S HA 0.040 4.510 4.470 0.000 0.000 0.220 768 S C 0.798 175.342 174.600 -0.094 0.000 0.997 768 S CA 0.051 58.185 58.200 -0.110 0.000 0.919 768 S CB 0.256 63.411 63.200 -0.075 0.000 0.778 768 S HN 0.602 nan 8.310 nan 0.000 0.523 769 S N -0.052 115.588 115.700 -0.100 0.000 2.536 769 S HA 0.693 5.163 4.470 0.000 0.000 0.271 769 S C -2.024 172.542 174.600 -0.058 0.000 1.134 769 S CA -0.754 57.403 58.200 -0.072 0.000 0.897 769 S CB 1.632 64.799 63.200 -0.055 0.000 1.094 769 S HN 0.469 nan 8.310 nan 0.000 0.473 770 L N 4.394 125.580 121.223 -0.061 0.000 2.541 770 L HA 0.721 5.061 4.340 0.000 0.000 0.266 770 L C -0.447 176.404 176.870 -0.031 0.000 0.966 770 L CA 0.208 55.020 54.840 -0.046 0.000 0.871 770 L CB 1.761 43.747 42.059 -0.121 0.000 1.232 770 L HN 0.848 nan 8.230 nan 0.000 0.408 771 T N 1.918 116.467 114.554 -0.009 0.000 2.932 771 T HA 0.766 5.116 4.350 0.000 0.000 0.289 771 T C -1.003 173.701 174.700 0.006 0.000 1.039 771 T CA -0.757 61.341 62.100 -0.003 0.000 1.024 771 T CB 1.841 70.703 68.868 -0.009 0.000 1.090 771 T HN 0.598 nan 8.240 nan 0.000 0.496 772 L N 1.996 123.228 121.223 0.015 0.000 2.427 772 L HA 0.466 4.806 4.340 0.000 0.000 0.264 772 L C -0.628 176.253 176.870 0.018 0.000 0.989 772 L CA 0.285 55.137 54.840 0.020 0.000 0.865 772 L CB 0.254 42.334 42.059 0.034 0.000 1.209 772 L HN 0.850 nan 8.230 nan 0.000 0.430 773 D N 4.220 124.625 120.400 0.009 0.000 2.800 773 D HA -0.200 4.440 4.640 0.000 0.000 0.232 773 D C 1.070 177.373 176.300 0.003 0.000 1.137 773 D CA 1.421 55.424 54.000 0.005 0.000 0.718 773 D CB -1.115 39.691 40.800 0.010 0.000 1.084 773 D HN 1.220 nan 8.370 nan 0.000 0.432 774 G N 0.007 108.806 108.800 -0.001 0.000 2.299 774 G HA2 -0.373 3.587 3.960 0.000 0.000 0.237 774 G HA3 -0.373 3.587 3.960 0.000 0.000 0.237 774 G C 0.386 175.289 174.900 0.005 0.000 1.027 774 G CA 0.607 45.705 45.100 -0.003 0.000 0.619 774 G HN 0.578 nan 8.290 nan 0.000 0.513 775 K N 1.395 121.804 120.400 0.016 0.000 2.379 775 K HA 0.431 4.751 4.320 0.000 0.000 0.284 775 K C 0.216 176.836 176.600 0.033 0.000 1.044 775 K CA -0.221 56.084 56.287 0.030 0.000 0.974 775 K CB 0.498 33.025 32.500 0.046 0.000 0.962 775 K HN 0.205 nan 8.250 nan 0.000 0.474 776 E N 4.034 124.254 120.200 0.034 0.000 2.338 776 E HA 0.040 4.390 4.350 0.000 0.000 0.272 776 E C -0.019 176.615 176.600 0.056 0.000 1.029 776 E CA 0.272 56.688 56.400 0.028 0.000 0.872 776 E CB 0.754 30.467 29.700 0.022 0.000 1.015 776 E HN 0.668 nan 8.360 nan 0.000 0.417 777 L N 3.442 124.676 121.223 0.018 0.000 2.575 777 L HA 0.251 4.591 4.340 0.000 0.000 0.228 777 L C 0.213 177.065 176.870 -0.030 0.000 1.075 777 L CA -0.081 54.754 54.840 -0.007 0.000 0.867 777 L CB 0.025 42.038 42.059 -0.077 0.000 1.097 777 L HN 0.408 nan 8.230 nan 0.000 0.485 778 L N -0.485 120.726 121.223 -0.019 0.000 2.334 778 L HA 0.410 4.750 4.340 0.000 0.000 0.277 778 L C 0.904 177.804 176.870 0.050 0.000 1.075 778 L CA -0.197 54.649 54.840 0.010 0.000 0.804 778 L CB 1.564 43.593 42.059 -0.050 0.000 1.174 778 L HN -0.070 nan 8.230 nan 0.000 0.438 779 A N 2.048 124.917 122.820 0.082 0.000 2.324 779 A HA 0.710 5.030 4.320 0.000 0.000 0.220 779 A C 0.540 178.157 177.584 0.055 0.000 1.209 779 A CA 0.516 52.595 52.037 0.070 0.000 0.918 779 A CB 0.362 19.412 19.000 0.083 0.000 0.959 779 A HN 0.718 nan 8.150 nan 0.000 0.507 780 A N 0.303 123.164 122.820 0.069 0.000 2.589 780 A HA 0.684 5.005 4.320 0.000 0.000 0.296 780 A C -3.258 174.361 177.584 0.059 0.000 1.062 780 A CA -1.433 50.638 52.037 0.055 0.000 0.686 780 A CB 1.058 20.091 19.000 0.056 0.000 1.282 780 A HN 0.013 nan 8.150 nan 0.000 0.404 781 P HA 0.335 nan 4.420 nan 0.000 0.272 781 P C -0.520 176.779 177.300 -0.002 0.000 1.223 781 P CA 0.038 63.121 63.100 -0.027 0.000 0.784 781 P CB 0.571 32.243 31.700 -0.046 0.000 0.923 782 I N 2.060 122.579 120.570 -0.086 0.000 2.452 782 I HA 0.151 4.321 4.170 0.000 0.000 0.287 782 I C 1.195 177.266 176.117 -0.077 0.000 1.079 782 I CA 0.482 61.747 61.300 -0.058 0.000 1.387 782 I CB 0.350 38.234 38.000 -0.194 0.000 1.404 782 I HN 0.443 nan 8.210 nan 0.000 0.522 783 T N 3.689 118.235 114.554 -0.013 0.000 2.887 783 T HA 0.531 4.881 4.350 0.000 0.000 0.292 783 T C -0.607 174.122 174.700 0.048 0.000 1.087 783 T CA -0.959 61.123 62.100 -0.029 0.000 1.009 783 T CB 1.733 70.604 68.868 0.005 0.000 1.203 783 T HN 0.293 nan 8.240 nan 0.000 0.518 784 L N 1.709 122.997 121.223 0.109 0.000 2.367 784 L HA 0.641 4.981 4.340 0.000 0.000 0.275 784 L C 0.110 177.018 176.870 0.065 0.000 1.129 784 L CA 0.440 55.378 54.840 0.164 0.000 0.839 784 L CB 0.977 43.150 42.059 0.189 0.000 1.133 784 L HN 0.865 nan 8.230 nan 0.000 0.453 785 S N 4.871 120.608 115.700 0.061 0.000 2.519 785 S HA 0.615 5.085 4.470 0.000 0.000 0.309 785 S C 0.282 174.876 174.600 -0.010 0.000 1.100 785 S CA -0.678 57.554 58.200 0.052 0.000 1.059 785 S CB 0.721 63.991 63.200 0.118 0.000 1.008 785 S HN 0.733 nan 8.310 nan 0.000 0.478 786 L N 3.811 125.019 121.223 -0.025 0.000 3.039 786 L HA 0.497 4.837 4.340 0.000 0.000 0.269 786 L C -0.211 176.575 176.870 -0.140 0.000 1.169 786 L CA -0.083 54.699 54.840 -0.097 0.000 0.986 786 L CB 0.331 42.330 42.059 -0.100 0.000 1.377 786 L HN 0.539 nan 8.230 nan 0.000 0.575 787 F N 1.985 121.799 119.950 -0.227 0.000 2.541 787 F HA 0.676 5.203 4.527 0.000 0.000 0.331 787 F C -0.050 175.590 175.800 -0.267 0.000 1.057 787 F CA -0.981 56.842 58.000 -0.296 0.000 0.975 787 F CB 1.248 40.190 39.000 -0.096 0.000 1.246 787 F HN -0.088 nan 8.300 nan 0.000 0.484 788 R N 3.057 122.767 120.500 -1.317 0.000 2.548 788 R HA 0.502 4.842 4.340 0.000 0.000 0.280 788 R C -3.246 172.423 176.300 -1.051 0.000 1.061 788 R CA -2.018 53.549 56.100 -0.888 0.000 0.915 788 R CB 1.438 31.360 30.300 -0.629 0.000 1.210 788 R HN 0.273 nan 8.270 nan 0.000 0.442 789 P HA -0.083 nan 4.420 nan 0.000 0.255 789 P C -0.267 176.934 177.300 -0.165 0.000 1.173 789 P CA 0.610 63.627 63.100 -0.138 0.000 0.780 789 P CB 0.550 32.264 31.700 0.023 0.000 0.758 790 A N 3.960 126.735 122.820 -0.075 0.000 2.580 790 A HA 0.193 4.513 4.320 0.000 0.000 0.244 790 A C 1.106 178.636 177.584 -0.090 0.000 1.045 790 A CA 0.435 52.460 52.037 -0.020 0.000 0.761 790 A CB -0.619 18.415 19.000 0.057 0.000 0.962 790 A HN 0.585 nan 8.150 nan 0.000 0.512 791 T N 0.425 114.889 114.554 -0.151 0.000 2.754 791 T HA 0.224 4.574 4.350 0.000 0.000 0.286 791 T C 0.599 175.156 174.700 -0.238 0.000 0.997 791 T CA 0.105 62.056 62.100 -0.249 0.000 0.982 791 T CB 0.529 69.201 68.868 -0.326 0.000 1.027 791 T HN 0.559 nan 8.240 nan 0.000 0.529 792 D N 0.625 120.846 120.400 -0.298 0.000 2.144 792 D HA -0.103 4.537 4.640 0.000 0.000 0.199 792 D C 1.882 178.036 176.300 -0.244 0.000 0.984 792 D CA 0.989 54.808 54.000 -0.302 0.000 0.834 792 D CB -0.266 40.301 40.800 -0.389 0.000 0.955 792 D HN 0.479 nan 8.370 nan 0.000 0.465 793 N N 1.186 119.752 118.700 -0.223 0.000 2.188 793 N HA -0.114 4.626 4.740 0.000 0.000 0.184 793 N C 1.254 176.654 175.510 -0.184 0.000 1.018 793 N CA 0.735 53.683 53.050 -0.170 0.000 0.858 793 N CB -0.259 38.135 38.487 -0.154 0.000 0.989 793 N HN 0.205 nan 8.380 nan 0.000 0.426 794 D N 0.736 121.012 120.400 -0.207 0.000 2.182 794 D HA -0.094 4.546 4.640 0.000 0.000 0.201 794 D C 1.143 177.264 176.300 -0.297 0.000 0.986 794 D CA 0.774 54.606 54.000 -0.281 0.000 0.847 794 D CB -0.508 40.169 40.800 -0.206 0.000 0.942 794 D HN 0.434 nan 8.370 nan 0.000 0.467 795 N N -0.103 118.476 118.700 -0.201 0.000 2.520 795 N HA -0.012 4.729 4.740 0.000 0.000 0.185 795 N C 1.461 176.889 175.510 -0.137 0.000 1.068 795 N CA 0.343 53.300 53.050 -0.156 0.000 0.911 795 N CB 0.353 38.761 38.487 -0.132 0.000 0.961 795 N HN 0.050 nan 8.380 nan 0.000 0.446 796 R N -0.416 120.001 120.500 -0.139 0.000 2.469 796 R HA 0.078 4.418 4.340 0.000 0.000 0.250 796 R C -0.508 175.718 176.300 -0.123 0.000 0.909 796 R CA -0.194 55.845 56.100 -0.102 0.000 1.050 796 R CB 0.630 30.902 30.300 -0.046 0.000 1.256 796 R HN 0.114 nan 8.270 nan 0.000 0.550 797 D N 1.579 121.880 120.400 -0.166 0.000 2.425 797 D HA -0.037 4.603 4.640 0.000 0.000 0.247 797 D C 0.881 177.081 176.300 -0.167 0.000 1.147 797 D CA 0.291 54.197 54.000 -0.157 0.000 0.879 797 D CB 1.087 41.778 40.800 -0.181 0.000 1.179 797 D HN -0.008 nan 8.370 nan 0.000 0.456 798 R N 3.239 123.671 120.500 -0.112 0.000 2.159 798 R HA -0.156 4.184 4.340 0.000 0.000 0.237 798 R C 0.437 176.669 176.300 -0.113 0.000 1.131 798 R CA 1.397 57.439 56.100 -0.097 0.000 0.982 798 R CB 0.070 30.334 30.300 -0.060 0.000 0.868 798 R HN 0.445 nan 8.270 nan 0.000 0.453 799 N N -0.738 117.889 118.700 -0.122 0.000 2.328 799 N HA 0.157 4.897 4.740 0.000 0.000 0.247 799 N C -0.161 175.194 175.510 -0.259 0.000 1.165 799 N CA -0.235 52.751 53.050 -0.106 0.000 0.873 799 N CB 1.612 40.095 38.487 -0.006 0.000 1.125 799 N HN 0.192 nan 8.380 nan 0.000 0.513 800 G N -0.070 108.433 108.800 -0.496 0.000 2.945 800 G HA2 0.469 4.429 3.960 0.000 0.000 0.156 800 G HA3 0.469 4.429 3.960 0.000 0.000 0.156 800 G C 1.039 174.899 174.900 -1.733 0.000 1.375 800 G CA 0.028 44.481 45.100 -1.078 0.000 1.039 800 G HN 0.151 nan 8.290 nan 0.000 0.586 801 A N -0.572 121.384 122.820 -1.440 0.000 1.986 801 A HA -0.104 4.216 4.320 0.000 0.000 0.220 801 A C 2.291 179.729 177.584 -0.243 0.000 1.171 801 A CA 2.119 53.766 52.037 -0.650 0.000 0.640 801 A CB -0.526 18.380 19.000 -0.156 0.000 0.811 801 A HN 0.558 nan 8.150 nan 0.000 0.451 802 R N -0.859 119.478 120.500 -0.271 0.000 2.091 802 R HA -0.153 4.187 4.340 0.000 0.000 0.238 802 R C 1.594 177.848 176.300 -0.077 0.000 1.136 802 R CA 1.796 57.821 56.100 -0.125 0.000 0.959 802 R CB -0.320 29.904 30.300 -0.126 0.000 0.856 802 R HN 0.418 nan 8.270 nan 0.000 0.437 803 L N -0.682 120.452 121.223 -0.149 0.000 2.179 803 L HA -0.081 4.259 4.340 0.000 0.000 0.208 803 L C 2.081 179.051 176.870 0.166 0.000 1.096 803 L CA 1.060 55.889 54.840 -0.018 0.000 0.779 803 L CB -0.743 41.294 42.059 -0.036 0.000 0.922 803 L HN 0.262 nan 8.230 nan 0.000 0.443 804 W N 0.212 121.583 121.300 0.119 0.000 2.381 804 W HA -0.017 4.643 4.660 0.000 0.000 0.301 804 W C 2.609 179.194 176.519 0.111 0.000 1.205 804 W CA 0.512 57.963 57.345 0.178 0.000 1.285 804 W CB -1.012 28.658 29.460 0.350 0.000 1.133 804 W HN 0.152 nan 8.180 nan 0.000 0.521 805 R N 0.448 121.125 120.500 0.295 0.000 2.153 805 R HA -0.069 4.271 4.340 0.000 0.000 0.218 805 R C 2.135 178.475 176.300 0.066 0.000 1.072 805 R CA 0.999 57.164 56.100 0.109 0.000 0.990 805 R CB -0.353 30.002 30.300 0.092 0.000 0.889 805 R HN 0.118 nan 8.270 nan 0.000 0.452 806 K N 0.804 121.252 120.400 0.080 0.000 2.097 806 K HA -0.047 4.273 4.320 0.000 0.000 0.205 806 K C 1.786 178.426 176.600 0.066 0.000 1.050 806 K CA 1.278 57.598 56.287 0.056 0.000 0.938 806 K CB 0.028 32.555 32.500 0.046 0.000 0.718 806 K HN 0.113 nan 8.250 nan 0.000 0.442 807 A N 0.288 123.170 122.820 0.104 0.000 2.167 807 A HA 0.142 4.462 4.320 0.000 0.000 0.214 807 A C 1.309 178.940 177.584 0.079 0.000 1.151 807 A CA 0.961 53.061 52.037 0.106 0.000 0.735 807 A CB -0.446 18.648 19.000 0.157 0.000 0.802 807 A HN 0.554 nan 8.150 nan 0.000 0.467 808 G N -0.725 108.106 108.800 0.052 0.000 2.160 808 G HA2 -0.249 3.711 3.960 0.000 0.000 0.244 808 G HA3 -0.249 3.711 3.960 0.000 0.000 0.244 808 G C 0.617 175.502 174.900 -0.025 0.000 1.022 808 G CA 0.391 45.489 45.100 -0.003 0.000 0.741 808 G HN 0.486 nan 8.290 nan 0.000 0.508 809 L N 0.283 121.511 121.223 0.010 0.000 2.549 809 L HA -0.023 4.317 4.340 0.000 0.000 0.229 809 L C 2.397 179.185 176.870 -0.135 0.000 1.158 809 L CA 1.365 56.214 54.840 0.015 0.000 0.842 809 L CB -0.390 41.755 42.059 0.144 0.000 0.952 809 L HN 0.606 nan 8.230 nan 0.000 0.452 810 N N -1.304 117.140 118.700 -0.427 0.000 2.280 810 N HA -0.061 4.680 4.740 0.000 0.000 0.192 810 N C 0.190 175.541 175.510 -0.265 0.000 1.109 810 N CA 0.174 52.826 53.050 -0.663 0.000 0.855 810 N CB 0.066 37.715 38.487 -1.398 0.000 0.974 810 N HN 0.266 nan 8.380 nan 0.000 0.482 811 N N 1.139 119.746 118.700 -0.155 0.000 2.757 811 N HA 0.273 5.013 4.740 0.000 0.000 0.296 811 N C -0.813 174.681 175.510 -0.028 0.000 1.874 811 N CA -0.202 52.805 53.050 -0.072 0.000 0.885 811 N CB 1.291 39.741 38.487 -0.061 0.000 1.242 811 N HN 0.155 nan 8.380 nan 0.000 0.488 812 L N 0.854 122.069 121.223 -0.012 0.000 2.399 812 L HA 0.500 4.840 4.340 0.000 0.000 0.266 812 L C 0.711 177.598 176.870 0.028 0.000 1.114 812 L CA -0.143 54.706 54.840 0.016 0.000 0.804 812 L CB 1.131 43.203 42.059 0.021 0.000 1.146 812 L HN 0.214 nan 8.230 nan 0.000 0.451 813 T N -0.846 113.734 114.554 0.044 0.000 2.956 813 T HA 0.431 4.781 4.350 0.000 0.000 0.312 813 T C -0.839 173.905 174.700 0.073 0.000 1.151 813 T CA -1.012 61.118 62.100 0.050 0.000 1.024 813 T CB 1.792 70.685 68.868 0.041 0.000 1.140 813 T HN 0.504 nan 8.240 nan 0.000 0.473 814 Q N 1.252 121.102 119.800 0.084 0.000 2.293 814 Q HA 0.510 4.850 4.340 0.000 0.000 0.261 814 Q C -0.800 175.262 176.000 0.103 0.000 0.960 814 Q CA -0.776 55.099 55.803 0.120 0.000 0.882 814 Q CB 2.144 30.978 28.738 0.160 0.000 1.275 814 Q HN 0.563 nan 8.270 nan 0.000 0.445 815 K N 2.703 123.166 120.400 0.106 0.000 2.535 815 K HA 0.272 4.593 4.320 0.000 0.000 0.253 815 K C -0.578 176.078 176.600 0.092 0.000 0.953 815 K CA -0.582 55.756 56.287 0.085 0.000 0.863 815 K CB 1.227 33.767 32.500 0.066 0.000 1.111 815 K HN 0.567 nan 8.250 nan 0.000 0.431 816 V N 1.757 121.727 119.914 0.093 0.000 2.740 816 V HA 0.139 4.260 4.120 0.000 0.000 0.303 816 V C 0.390 176.525 176.094 0.067 0.000 1.054 816 V CA -0.128 62.229 62.300 0.095 0.000 1.106 816 V CB 1.301 33.182 31.823 0.096 0.000 0.957 816 V HN 0.626 nan 8.190 nan 0.000 0.486 817 V N 2.517 122.468 119.914 0.060 0.000 3.451 817 V HA 0.473 4.593 4.120 0.000 0.000 0.288 817 V C 0.514 176.630 176.094 0.038 0.000 1.502 817 V CA 0.999 63.325 62.300 0.042 0.000 1.026 817 V CB 0.573 32.416 31.823 0.033 0.000 0.840 817 V HN 1.288 nan 8.190 nan 0.000 0.437 818 S N 0.609 116.338 115.700 0.048 0.000 2.584 818 S HA 0.639 5.110 4.470 0.000 0.000 0.280 818 S C -1.937 172.702 174.600 0.065 0.000 1.162 818 S CA -0.397 57.830 58.200 0.044 0.000 0.951 818 S CB 1.526 64.744 63.200 0.029 0.000 1.108 818 S HN 0.512 nan 8.310 nan 0.000 0.464 819 L N 4.550 125.811 121.223 0.063 0.000 2.491 819 L HA 0.692 5.032 4.340 0.000 0.000 0.267 819 L C -1.361 175.549 176.870 0.067 0.000 0.971 819 L CA -0.207 54.682 54.840 0.082 0.000 0.857 819 L CB 1.565 43.675 42.059 0.085 0.000 1.226 819 L HN 0.583 nan 8.230 nan 0.000 0.408 820 K N 3.807 124.251 120.400 0.074 0.000 2.367 820 K HA 0.439 4.759 4.320 0.000 0.000 0.263 820 K C -0.823 175.825 176.600 0.080 0.000 1.000 820 K CA -0.305 56.018 56.287 0.061 0.000 0.891 820 K CB 1.518 34.046 32.500 0.047 0.000 1.117 820 K HN 0.821 nan 8.250 nan 0.000 0.443 821 E N 2.169 122.409 120.200 0.066 0.000 2.250 821 E HA 0.296 4.646 4.350 0.000 0.000 0.265 821 E C -0.570 176.062 176.600 0.054 0.000 1.033 821 E CA -0.329 56.114 56.400 0.071 0.000 0.888 821 E CB 0.981 30.703 29.700 0.038 0.000 1.151 821 E HN 0.437 nan 8.360 nan 0.000 0.412 822 E N 0.767 121.001 120.200 0.057 0.000 2.442 822 E HA 0.157 4.508 4.350 0.000 0.000 0.271 822 E C 0.059 176.667 176.600 0.012 0.000 1.002 822 E CA -0.786 55.638 56.400 0.040 0.000 0.864 822 E CB 0.575 30.314 29.700 0.064 0.000 1.573 822 E HN 0.229 nan 8.360 nan 0.000 0.456 823 K N 0.633 121.038 120.400 0.008 0.000 2.057 823 K HA -0.044 4.277 4.320 0.000 0.000 0.206 823 K C 1.454 178.045 176.600 -0.015 0.000 1.050 823 K CA 2.120 58.397 56.287 -0.016 0.000 0.935 823 K CB -0.215 32.281 32.500 -0.007 0.000 0.715 823 K HN 0.663 nan 8.250 nan 0.000 0.439 824 T N -2.729 111.855 114.554 0.050 0.000 3.111 824 T HA 0.200 4.550 4.350 0.000 0.000 0.284 824 T C 0.459 175.332 174.700 0.288 0.000 0.983 824 T CA -0.159 62.017 62.100 0.126 0.000 0.900 824 T CB 0.111 69.034 68.868 0.092 0.000 1.132 824 T HN 0.126 nan 8.240 nan 0.000 0.531 825 S N 0.176 116.036 115.700 0.267 0.000 2.720 825 S HA 0.914 5.384 4.470 0.000 0.000 0.287 825 S C -1.508 173.295 174.600 0.338 0.000 1.168 825 S CA -0.568 57.822 58.200 0.317 0.000 0.832 825 S CB 1.749 65.037 63.200 0.146 0.000 1.166 825 S HN 1.186 nan 8.310 nan 0.000 0.493 826 A N 0.673 123.675 122.820 0.303 0.000 2.532 826 A HA 0.697 5.018 4.320 0.000 0.000 0.296 826 A C -0.693 177.018 177.584 0.212 0.000 1.058 826 A CA -0.632 51.575 52.037 0.283 0.000 0.729 826 A CB 1.236 20.491 19.000 0.424 0.000 1.285 826 A HN 0.840 nan 8.150 nan 0.000 0.396 827 T N 1.216 115.855 114.554 0.142 0.000 2.855 827 T HA 0.704 5.054 4.350 0.000 0.000 0.281 827 T C -0.847 173.920 174.700 0.113 0.000 1.007 827 T CA -0.495 61.655 62.100 0.083 0.000 1.009 827 T CB 1.490 70.381 68.868 0.038 0.000 0.983 827 T HN 1.689 nan 8.240 nan 0.000 0.455 828 V N 3.208 123.185 119.914 0.105 0.000 2.969 828 V HA 0.719 4.839 4.120 0.000 0.000 0.304 828 V C -1.517 174.616 176.094 0.066 0.000 1.192 828 V CA -0.994 61.390 62.300 0.141 0.000 0.962 828 V CB 2.125 34.119 31.823 0.285 0.000 1.045 828 V HN 0.873 nan 8.190 nan 0.000 0.428 829 R N 4.797 125.325 120.500 0.047 0.000 2.439 829 R HA 0.883 5.223 4.340 0.000 0.000 0.310 829 R C -0.849 175.475 176.300 0.039 0.000 0.955 829 R CA 0.154 56.247 56.100 -0.013 0.000 0.853 829 R CB 1.647 31.936 30.300 -0.020 0.000 1.171 829 R HN 1.107 nan 8.270 nan 0.000 0.449 830 A N 3.791 126.631 122.820 0.033 0.000 2.454 830 A HA 0.450 4.770 4.320 0.000 0.000 0.302 830 A C -1.117 176.517 177.584 0.082 0.000 1.079 830 A CA -0.859 51.237 52.037 0.098 0.000 0.731 830 A CB 1.531 20.658 19.000 0.211 0.000 1.299 830 A HN 0.804 nan 8.150 nan 0.000 0.413 831 E N 0.419 120.674 120.200 0.091 0.000 2.301 831 E HA 0.414 4.764 4.350 0.000 0.000 0.275 831 E C -1.274 175.400 176.600 0.124 0.000 1.030 831 E CA -0.443 56.013 56.400 0.094 0.000 0.852 831 E CB 1.449 31.192 29.700 0.072 0.000 1.060 831 E HN 0.391 nan 8.360 nan 0.000 0.401 832 I N 3.495 124.157 120.570 0.155 0.000 2.307 832 I HA 0.136 4.306 4.170 0.000 0.000 0.289 832 I C -0.942 175.251 176.117 0.127 0.000 1.021 832 I CA -0.277 61.116 61.300 0.155 0.000 1.224 832 I CB 0.580 38.697 38.000 0.195 0.000 1.376 832 I HN 0.288 nan 8.210 nan 0.000 0.470 833 L N 6.891 128.169 121.223 0.093 0.000 2.334 833 L HA 0.522 4.862 4.340 0.000 0.000 0.273 833 L C 0.136 177.040 176.870 0.057 0.000 1.013 833 L CA -0.643 54.241 54.840 0.073 0.000 0.816 833 L CB 1.311 43.405 42.059 0.059 0.000 1.278 833 L HN 0.635 nan 8.230 nan 0.000 0.431 834 N N 0.125 118.855 118.700 0.050 0.000 2.448 834 N HA 0.338 5.078 4.740 0.000 0.000 0.274 834 N C 1.012 176.535 175.510 0.021 0.000 1.239 834 N CA -0.198 52.871 53.050 0.031 0.000 0.982 834 N CB 0.131 38.638 38.487 0.034 0.000 1.199 834 N HN 0.588 nan 8.380 nan 0.000 0.576 835 G N -1.282 107.522 108.800 0.007 0.000 2.625 835 G HA2 -0.168 3.792 3.960 0.000 0.000 0.214 835 G HA3 -0.168 3.792 3.960 0.000 0.000 0.214 835 G C 0.835 175.741 174.900 0.010 0.000 1.132 835 G CA 0.327 45.430 45.100 0.005 0.000 0.782 835 G HN 0.435 nan 8.290 nan 0.000 0.538 836 K N -0.197 120.212 120.400 0.015 0.000 2.379 836 K HA 0.174 4.495 4.320 0.000 0.000 0.194 836 K C 1.817 178.430 176.600 0.021 0.000 1.031 836 K CA 0.680 56.977 56.287 0.017 0.000 1.037 836 K CB 0.643 33.155 32.500 0.019 0.000 0.824 836 K HN 0.343 nan 8.250 nan 0.000 0.516 837 G N 1.522 110.337 108.800 0.025 0.000 2.234 837 G HA2 -0.293 3.667 3.960 0.000 0.000 0.235 837 G HA3 -0.293 3.667 3.960 0.000 0.000 0.235 837 G C 0.034 174.954 174.900 0.033 0.000 0.997 837 G CA -0.070 45.047 45.100 0.028 0.000 0.623 837 G HN 0.392 nan 8.290 nan 0.000 0.514 838 Q N 0.540 120.361 119.800 0.034 0.000 2.428 838 Q HA 0.320 4.660 4.340 0.000 0.000 0.276 838 Q C 0.387 176.417 176.000 0.051 0.000 1.059 838 Q CA 0.460 56.287 55.803 0.039 0.000 0.923 838 Q CB 0.603 29.365 28.738 0.041 0.000 1.283 838 Q HN 0.348 nan 8.270 nan 0.000 0.447 839 K N 1.848 122.279 120.400 0.052 0.000 2.273 839 K HA 0.120 4.440 4.320 0.000 0.000 0.287 839 K C 0.321 176.971 176.600 0.084 0.000 1.089 839 K CA -0.225 56.101 56.287 0.065 0.000 0.909 839 K CB 0.527 33.056 32.500 0.049 0.000 1.123 839 K HN 0.489 nan 8.250 nan 0.000 0.473 840 V N 3.048 123.034 119.914 0.120 0.000 2.427 840 V HA -0.015 4.105 4.120 0.000 0.000 0.248 840 V C 1.122 177.347 176.094 0.218 0.000 1.051 840 V CA 1.652 64.053 62.300 0.167 0.000 1.048 840 V CB -0.155 31.781 31.823 0.187 0.000 0.666 840 V HN 0.996 nan 8.190 nan 0.000 0.456 844 D N 0.964 121.027 120.400 -0.561 0.000 2.492 844 D HA 0.669 5.309 4.640 0.000 0.000 0.248 844 D C -1.404 174.512 176.300 -0.641 0.000 1.101 844 D CA 0.371 54.081 54.000 -0.484 0.000 0.840 844 D CB 1.319 41.971 40.800 -0.246 0.000 1.209 844 D HN 0.252 nan 8.370 nan 0.000 0.524 845 F N 0.583 120.414 119.950 -0.198 0.000 2.508 845 F HA 0.476 5.003 4.527 0.000 0.000 0.325 845 F C 0.302 175.818 175.800 -0.473 0.000 1.090 845 F CA -1.027 56.712 58.000 -0.434 0.000 0.945 845 F CB 1.866 40.523 39.000 -0.572 0.000 1.156 845 F HN -0.073 nan 8.300 nan 0.000 0.463 846 V N 3.603 123.293 119.914 -0.374 0.000 2.398 846 V HA 0.280 4.400 4.120 0.000 0.000 0.282 846 V C -1.310 174.578 176.094 -0.344 0.000 1.014 846 V CA -0.981 61.160 62.300 -0.266 0.000 0.838 846 V CB 0.519 32.251 31.823 -0.153 0.000 1.018 846 V HN 0.517 nan 8.190 nan 0.000 0.432 847 Y N 3.004 123.237 120.300 -0.111 0.000 2.404 847 Y HA 0.738 5.288 4.550 0.000 0.000 0.344 847 Y C 0.571 176.293 175.900 -0.298 0.000 0.970 847 Y CA -0.461 57.446 58.100 -0.323 0.000 1.180 847 Y CB 1.451 39.567 38.460 -0.573 0.000 1.138 847 Y HN 0.665 nan 8.280 nan 0.000 0.510 848 A N 3.728 126.473 122.820 -0.125 0.000 2.371 848 A HA 0.704 5.024 4.320 0.000 0.000 0.311 848 A C -1.683 175.863 177.584 -0.064 0.000 1.068 848 A CA -0.755 51.257 52.037 -0.042 0.000 0.744 848 A CB 1.165 20.153 19.000 -0.021 0.000 1.239 848 A HN 0.659 nan 8.150 nan 0.000 0.435 849 L N 2.195 123.449 121.223 0.052 0.000 2.262 849 L HA 0.412 4.753 4.340 0.000 0.000 0.288 849 L C -0.038 176.839 176.870 0.011 0.000 1.035 849 L CA -0.121 54.750 54.840 0.051 0.000 0.820 849 L CB 0.802 42.980 42.059 0.199 0.000 1.204 849 L HN 0.816 nan 8.230 nan 0.000 0.424 850 D N 2.613 122.986 120.400 -0.045 0.000 2.360 850 D HA 0.051 4.691 4.640 0.000 0.000 0.242 850 D C 0.948 177.230 176.300 -0.030 0.000 1.184 850 D CA 0.212 54.184 54.000 -0.047 0.000 0.930 850 D CB 1.075 41.820 40.800 -0.093 0.000 1.161 850 D HN 0.533 nan 8.370 nan 0.000 0.447 851 K N 0.651 121.040 120.400 -0.018 0.000 2.147 851 K HA -0.092 4.228 4.320 0.000 0.000 0.205 851 K C 1.184 177.775 176.600 -0.015 0.000 1.049 851 K CA 0.736 57.017 56.287 -0.011 0.000 0.936 851 K CB -0.074 32.422 32.500 -0.006 0.000 0.722 851 K HN 0.380 nan 8.250 nan 0.000 0.446 852 N N 0.079 118.765 118.700 -0.023 0.000 2.571 852 N HA -0.053 4.687 4.740 0.000 0.000 0.189 852 N C 0.929 176.423 175.510 -0.026 0.000 1.154 852 N CA 1.104 54.145 53.050 -0.014 0.000 0.907 852 N CB 0.765 39.259 38.487 0.012 0.000 0.977 852 N HN 0.445 nan 8.380 nan 0.000 0.449 853 G N -0.224 108.549 108.800 -0.045 0.000 2.176 853 G HA2 -0.261 3.699 3.960 0.000 0.000 0.253 853 G HA3 -0.261 3.699 3.960 0.000 0.000 0.253 853 G C 0.214 175.050 174.900 -0.106 0.000 0.979 853 G CA 0.231 45.306 45.100 -0.043 0.000 0.641 853 G HN 0.591 nan 8.290 nan 0.000 0.530 854 A N -0.209 122.473 122.820 -0.230 0.000 2.354 854 A HA 0.753 5.073 4.320 0.000 0.000 0.269 854 A C 0.042 177.443 177.584 -0.305 0.000 1.109 854 A CA -0.031 51.718 52.037 -0.479 0.000 0.800 854 A CB 1.038 19.391 19.000 -1.078 0.000 1.045 854 A HN 1.477 nan 8.150 nan 0.000 0.489 855 L N 2.319 123.379 121.223 -0.272 0.000 2.262 855 L HA 0.426 4.766 4.340 0.000 0.000 0.288 855 L C 0.153 176.920 176.870 -0.172 0.000 1.035 855 L CA -0.121 54.597 54.840 -0.203 0.000 0.820 855 L CB 0.789 42.727 42.059 -0.202 0.000 1.204 855 L HN 0.679 nan 8.230 nan 0.000 0.424 856 K N 4.486 124.799 120.400 -0.144 0.000 2.201 856 K HA 0.566 4.887 4.320 0.000 0.000 0.278 856 K C -1.547 174.995 176.600 -0.096 0.000 1.027 856 K CA -0.589 55.642 56.287 -0.092 0.000 0.909 856 K CB 1.171 33.626 32.500 -0.075 0.000 1.062 856 K HN 0.527 nan 8.250 nan 0.000 0.465 857 V N 5.769 125.645 119.914 -0.065 0.000 2.380 857 V HA 0.363 4.483 4.120 0.000 0.000 0.286 857 V C -0.397 175.601 176.094 -0.159 0.000 1.015 857 V CA -0.841 61.393 62.300 -0.111 0.000 0.834 857 V CB 1.173 32.993 31.823 -0.005 0.000 1.009 857 V HN 0.779 nan 8.190 nan 0.000 0.428 858 R N 2.453 122.813 120.500 -0.235 0.000 2.368 858 R HA 0.769 5.109 4.340 0.000 0.000 0.302 858 R C -0.466 175.631 176.300 -0.337 0.000 1.002 858 R CA -0.367 55.571 56.100 -0.270 0.000 0.929 858 R CB 1.857 32.036 30.300 -0.202 0.000 1.073 858 R HN 0.651 nan 8.270 nan 0.000 0.464 859 T N 1.096 115.327 114.554 -0.538 0.000 2.893 859 T HA 0.370 4.720 4.350 0.000 0.000 0.293 859 T C -0.705 173.721 174.700 -0.456 0.000 1.027 859 T CA -0.603 61.163 62.100 -0.555 0.000 0.988 859 T CB 2.073 70.446 68.868 -0.826 0.000 1.043 859 T HN 0.396 nan 8.240 nan 0.000 0.461 860 T N 3.137 117.518 114.554 -0.287 0.000 2.906 860 T HA 0.494 4.844 4.350 0.000 0.000 0.302 860 T C -1.409 173.288 174.700 -0.004 0.000 1.002 860 T CA -0.479 61.552 62.100 -0.115 0.000 0.988 860 T CB 0.277 69.068 68.868 -0.129 0.000 0.972 860 T HN 0.449 nan 8.240 nan 0.000 0.447 861 F N 3.551 123.479 119.950 -0.037 0.000 2.458 861 F HA 0.691 5.218 4.527 0.000 0.000 0.336 861 F C -0.261 175.545 175.800 0.010 0.000 1.114 861 F CA -1.151 56.846 58.000 -0.005 0.000 0.987 861 F CB 1.803 40.864 39.000 0.100 0.000 1.130 861 F HN 0.350 nan 8.300 nan 0.000 0.458 862 Q N 8.639 127.996 119.800 -0.740 0.000 2.363 862 Q HA 0.469 4.809 4.340 0.000 0.000 0.265 862 Q C -2.949 172.463 176.000 -0.980 0.000 1.032 862 Q CA -2.412 53.005 55.803 -0.643 0.000 0.746 862 Q CB 1.598 30.155 28.738 -0.303 0.000 1.237 862 Q HN 0.357 nan 8.270 nan 0.000 0.475 863 P HA 0.165 nan 4.420 nan 0.000 0.279 863 P C -0.832 176.336 177.300 -0.220 0.000 1.252 863 P CA -0.353 62.400 63.100 -0.578 0.000 0.811 863 P CB 1.014 32.565 31.700 -0.248 0.000 1.035 864 D N 1.262 121.614 120.400 -0.081 0.000 2.441 864 D HA 0.037 4.677 4.640 0.000 0.000 0.221 864 D C 1.291 177.591 176.300 0.000 0.000 1.156 864 D CA -0.029 53.951 54.000 -0.033 0.000 0.896 864 D CB 0.460 41.262 40.800 0.003 0.000 1.028 864 D HN 0.287 nan 8.370 nan 0.000 0.509 865 T N 0.870 115.418 114.554 -0.011 0.000 2.996 865 T HA -0.134 4.216 4.350 0.000 0.000 0.271 865 T C 1.637 176.351 174.700 0.023 0.000 1.126 865 T CA 0.963 63.070 62.100 0.012 0.000 1.103 865 T CB 0.009 68.879 68.868 0.003 0.000 0.870 865 T HN 0.289 nan 8.240 nan 0.000 0.528 866 A N 0.760 123.591 122.820 0.019 0.000 2.067 866 A HA 0.305 4.625 4.320 0.000 0.000 0.217 866 A C 2.143 179.747 177.584 0.033 0.000 1.156 866 A CA 0.637 52.687 52.037 0.022 0.000 0.683 866 A CB -0.209 18.800 19.000 0.015 0.000 0.808 866 A HN 0.549 nan 8.150 nan 0.000 0.455 867 I N -1.265 119.332 120.570 0.045 0.000 3.971 867 I HA 0.109 4.279 4.170 0.000 0.000 0.303 867 I C 0.205 176.373 176.117 0.085 0.000 1.233 867 I CA 0.702 62.038 61.300 0.060 0.000 1.346 867 I CB -0.318 37.720 38.000 0.063 0.000 1.273 867 I HN -0.077 nan 8.210 nan 0.000 0.448 868 V N 4.380 124.351 119.914 0.096 0.000 2.320 868 V HA 0.215 4.335 4.120 0.000 0.000 0.265 868 V C 1.231 177.399 176.094 0.123 0.000 1.048 868 V CA -0.268 62.113 62.300 0.135 0.000 0.865 868 V CB 0.810 32.733 31.823 0.167 0.000 1.043 868 V HN 0.200 nan 8.190 nan 0.000 0.474 869 K N 1.918 122.396 120.400 0.131 0.000 2.356 869 K HA 0.269 4.589 4.320 0.000 0.000 0.195 869 K C 0.723 177.412 176.600 0.147 0.000 1.037 869 K CA 0.318 56.671 56.287 0.110 0.000 1.014 869 K CB 0.802 33.350 32.500 0.080 0.000 0.815 869 K HN 0.608 nan 8.250 nan 0.000 0.507 873 R N -1.501 118.787 120.500 -0.354 0.000 2.756 873 R HA 0.781 5.121 4.340 0.000 0.000 0.273 873 R C -2.170 174.048 176.300 -0.137 0.000 1.030 873 R CA -0.668 55.318 56.100 -0.190 0.000 0.887 873 R CB 0.701 30.892 30.300 -0.182 0.000 1.274 873 R HN 0.697 nan 8.270 nan 0.000 0.461 874 L N 0.393 121.537 121.223 -0.132 0.000 2.555 874 L HA 0.828 5.168 4.340 0.000 0.000 0.264 874 L C -0.906 175.739 176.870 -0.375 0.000 0.972 874 L CA 0.619 55.350 54.840 -0.180 0.000 0.876 874 L CB 1.756 43.738 42.059 -0.128 0.000 1.216 874 L HN 1.061 nan 8.230 nan 0.000 0.415 875 G N 3.662 112.311 108.800 -0.252 0.000 2.348 875 G HA2 0.423 4.383 3.960 0.000 0.000 0.296 875 G HA3 0.423 4.383 3.960 0.000 0.000 0.296 875 G C -2.047 172.970 174.900 0.194 0.000 1.258 875 G CA -0.781 44.215 45.100 -0.172 0.000 0.868 875 G HN 0.538 nan 8.290 nan 0.000 0.488 876 L N -0.142 121.203 121.223 0.204 0.000 2.330 876 L HA 0.850 5.191 4.340 0.000 0.000 0.271 876 L C 0.067 176.959 176.870 0.037 0.000 1.013 876 L CA -0.836 54.113 54.840 0.182 0.000 0.816 876 L CB 2.280 44.476 42.059 0.228 0.000 1.287 876 L HN 0.661 nan 8.230 nan 0.000 0.435 877 T N 1.087 115.656 114.554 0.025 0.000 2.923 877 T HA 0.788 5.138 4.350 0.000 0.000 0.311 877 T C -1.284 173.443 174.700 0.046 0.000 1.183 877 T CA -0.355 61.632 62.100 -0.188 0.000 1.020 877 T CB 1.271 69.848 68.868 -0.486 0.000 1.165 877 T HN 0.512 nan 8.240 nan 0.000 0.482 878 F N 0.564 120.388 119.950 -0.210 0.000 3.122 878 F HA 0.814 5.341 4.527 0.000 0.000 0.325 878 F C -1.109 174.622 175.800 -0.114 0.000 1.162 878 F CA -1.423 56.495 58.000 -0.137 0.000 0.876 878 F CB 0.976 39.904 39.000 -0.120 0.000 1.429 878 F HN 0.594 nan 8.300 nan 0.000 0.484 882 D N 0.831 121.265 120.400 0.057 0.000 2.378 882 D HA 0.144 4.785 4.640 0.000 0.000 0.227 882 D C 1.347 177.647 176.300 -0.001 0.000 1.012 882 D CA 1.291 55.303 54.000 0.021 0.000 0.905 882 D CB -0.077 40.704 40.800 -0.031 0.000 0.895 882 D HN 0.752 nan 8.370 nan 0.000 0.532 883 A N -0.154 122.633 122.820 -0.055 0.000 1.969 883 A HA -0.085 4.235 4.320 0.000 0.000 0.218 883 A C 0.488 177.969 177.584 -0.171 0.000 1.169 883 A CA 0.357 52.297 52.037 -0.162 0.000 0.635 883 A CB -0.951 17.875 19.000 -0.289 0.000 0.810 883 A HN 0.307 nan 8.150 nan 0.000 0.445 884 Y N 1.824 122.131 120.300 0.011 0.000 2.530 884 Y HA 0.084 4.634 4.550 0.000 0.000 0.340 884 Y C 1.335 177.254 175.900 0.032 0.000 1.247 884 Y CA -0.072 58.046 58.100 0.030 0.000 1.727 884 Y CB -0.206 38.281 38.460 0.047 0.000 1.613 884 Y HN 0.579 nan 8.280 nan 0.000 0.464 885 N N -0.424 118.349 118.700 0.121 0.000 2.197 885 N HA -0.020 4.720 4.740 0.000 0.000 0.201 885 N C -0.231 175.349 175.510 0.117 0.000 1.148 885 N CA 0.063 53.172 53.050 0.097 0.000 0.883 885 N CB 0.396 38.911 38.487 0.048 0.000 1.012 885 N HN 0.320 nan 8.380 nan 0.000 0.507 886 Q N 1.474 121.354 119.800 0.134 0.000 2.307 886 Q HA 0.318 4.659 4.340 0.000 0.000 0.259 886 Q C -0.595 175.513 176.000 0.180 0.000 0.998 886 Q CA -0.255 55.635 55.803 0.145 0.000 0.923 886 Q CB 2.174 30.994 28.738 0.137 0.000 1.196 886 Q HN 0.019 nan 8.270 nan 0.000 0.416 887 V N 1.653 121.684 119.914 0.195 0.000 2.555 887 V HA 0.597 4.717 4.120 0.000 0.000 0.302 887 V C -0.075 176.185 176.094 0.277 0.000 1.038 887 V CA -0.570 61.881 62.300 0.252 0.000 0.887 887 V CB 1.991 33.993 31.823 0.297 0.000 0.991 887 V HN 0.728 nan 8.190 nan 0.000 0.434 888 S N 3.657 119.547 115.700 0.316 0.000 2.541 888 S HA 0.906 5.376 4.470 0.000 0.000 0.280 888 S C -1.555 173.229 174.600 0.306 0.000 1.112 888 S CA -0.501 57.862 58.200 0.272 0.000 0.925 888 S CB 1.532 64.932 63.200 0.333 0.000 1.067 888 S HN 0.923 nan 8.310 nan 0.000 0.479 889 Y N 1.575 121.816 120.300 -0.098 0.000 2.604 889 Y HA 0.731 5.281 4.550 0.000 0.000 0.331 889 Y C -1.944 173.476 175.900 -0.800 0.000 1.158 889 Y CA -1.406 56.373 58.100 -0.534 0.000 1.056 889 Y CB 0.731 39.089 38.460 -0.170 0.000 1.330 889 Y HN 0.535 nan 8.280 nan 0.000 0.457 890 L N 3.141 123.672 121.223 -1.153 0.000 2.295 890 L HA 0.993 5.333 4.340 0.000 0.000 0.281 890 L C -0.124 176.528 176.870 -0.362 0.000 1.018 890 L CA 0.406 54.755 54.840 -0.819 0.000 0.841 890 L CB 0.713 42.107 42.059 -1.108 0.000 1.218 890 L HN 1.219 nan 8.230 nan 0.000 0.424 891 G N 3.797 112.546 108.800 -0.085 0.000 2.325 891 G HA2 0.171 4.131 3.960 0.000 0.000 0.295 891 G HA3 0.171 4.131 3.960 0.000 0.000 0.295 891 G C -1.537 173.377 174.900 0.023 0.000 1.274 891 G CA -1.136 43.927 45.100 -0.061 0.000 0.857 891 G HN 0.620 nan 8.290 nan 0.000 0.499 892 R N 0.485 120.928 120.500 -0.095 0.000 2.484 892 R HA 0.467 4.807 4.340 0.000 0.000 0.293 892 R C 1.208 177.374 176.300 -0.222 0.000 1.023 892 R CA 1.136 57.147 56.100 -0.149 0.000 1.037 892 R CB -0.259 29.906 30.300 -0.224 0.000 0.951 892 R HN 2.070 nan 8.270 nan 0.000 0.418 893 G N 3.313 111.940 108.800 -0.287 0.000 2.680 893 G HA2 -0.357 3.604 3.960 0.000 0.000 0.652 893 G HA3 -0.357 3.604 3.960 0.000 0.000 0.652 893 G C 0.184 174.423 174.900 -1.102 0.000 1.344 893 G CA 0.323 45.040 45.100 -0.639 0.000 0.923 893 G HN 0.847 nan 8.290 nan 0.000 0.547 894 D N -0.357 119.562 120.400 -0.801 0.000 2.355 894 D HA 0.044 4.684 4.640 0.000 0.000 0.218 894 D C 1.176 177.362 176.300 -0.190 0.000 1.004 894 D CA 1.342 55.029 54.000 -0.520 0.000 0.880 894 D CB -0.017 40.663 40.800 -0.199 0.000 0.911 894 D HN 0.671 nan 8.370 nan 0.000 0.528 895 H N -1.837 117.063 119.070 -0.283 0.000 2.941 895 H HA 0.375 4.931 4.556 0.000 0.000 0.344 895 H C -0.595 174.571 175.328 -0.270 0.000 1.235 895 H CA -0.907 55.008 56.048 -0.222 0.000 1.149 895 H CB 0.184 29.843 29.762 -0.171 0.000 1.885 895 H HN -0.109 nan 8.280 nan 0.000 0.558 896 E N 1.133 121.223 120.200 -0.183 0.000 2.417 896 E HA 0.200 4.550 4.350 0.000 0.000 0.261 896 E C -0.686 175.724 176.600 -0.317 0.000 1.000 896 E CA 0.240 56.455 56.400 -0.308 0.000 0.919 896 E CB 0.463 30.047 29.700 -0.192 0.000 0.955 896 E HN 0.736 nan 8.360 nan 0.000 0.455 897 T N 1.229 115.456 114.554 -0.545 0.000 2.864 897 T HA 0.523 4.873 4.350 0.000 0.000 0.299 897 T C -1.112 173.124 174.700 -0.773 0.000 1.166 897 T CA -0.771 61.061 62.100 -0.447 0.000 1.007 897 T CB 0.799 69.439 68.868 -0.380 0.000 1.219 897 T HN 0.377 nan 8.240 nan 0.000 0.506 898 Y N -0.438 119.757 120.300 -0.174 0.000 2.638 898 Y HA 0.490 5.040 4.550 0.000 0.000 0.339 898 Y C 1.690 177.478 175.900 -0.187 0.000 1.084 898 Y CA -1.505 56.491 58.100 -0.174 0.000 1.068 898 Y CB 1.461 39.824 38.460 -0.162 0.000 1.294 898 Y HN 0.767 nan 8.280 nan 0.000 0.480 899 I N -1.387 119.170 120.570 -0.021 0.000 2.335 899 I HA -0.161 4.009 4.170 0.000 0.000 0.251 899 I C 0.985 176.861 176.117 -0.401 0.000 1.129 899 I CA 2.112 63.347 61.300 -0.107 0.000 1.402 899 I CB -0.165 37.855 38.000 0.034 0.000 1.069 899 I HN 0.610 nan 8.210 nan 0.000 0.424 900 D N 1.245 121.300 120.400 -0.575 0.000 2.358 900 D HA 0.022 4.662 4.640 0.000 0.000 0.224 900 D C 0.899 177.002 176.300 -0.328 0.000 1.123 900 D CA -0.133 53.329 54.000 -0.897 0.000 0.833 900 D CB -0.044 40.175 40.800 -0.968 0.000 0.946 900 D HN 0.484 nan 8.370 nan 0.000 0.505 901 R N 1.005 121.405 120.500 -0.167 0.000 2.672 901 R HA 0.092 4.432 4.340 0.000 0.000 0.228 901 R C -0.848 175.425 176.300 -0.044 0.000 1.501 901 R CA -0.102 55.967 56.100 -0.052 0.000 1.514 901 R CB -0.319 29.996 30.300 0.024 0.000 1.489 901 R HN 0.059 nan 8.270 nan 0.000 0.747 902 N N 0.100 118.760 118.700 -0.067 0.000 2.390 902 N HA -0.022 4.718 4.740 0.000 0.000 0.259 902 N C 0.199 175.681 175.510 -0.045 0.000 1.395 902 N CA -0.394 52.608 53.050 -0.079 0.000 0.852 902 N CB 0.669 39.078 38.487 -0.129 0.000 1.371 902 N HN 0.163 nan 8.380 nan 0.000 0.491 903 Q N 0.454 120.243 119.800 -0.017 0.000 2.230 903 Q HA 0.028 4.368 4.340 0.000 0.000 0.202 903 Q C 0.796 176.807 176.000 0.018 0.000 0.963 903 Q CA 0.644 56.440 55.803 -0.012 0.000 0.866 903 Q CB -0.090 28.637 28.738 -0.018 0.000 0.931 903 Q HN 0.644 nan 8.270 nan 0.000 0.452 904 S N -0.815 114.926 115.700 0.069 0.000 2.624 904 S HA 0.557 5.027 4.470 0.000 0.000 0.263 904 S C 0.735 175.457 174.600 0.203 0.000 1.287 904 S CA 0.061 58.393 58.200 0.220 0.000 0.990 904 S CB 1.410 64.788 63.200 0.296 0.000 0.950 904 S HN 0.538 nan 8.310 nan 0.000 0.561 905 G N 0.640 109.641 108.800 0.335 0.000 2.760 905 G HA2 -0.019 3.941 3.960 0.000 0.000 0.246 905 G HA3 -0.019 3.941 3.960 0.000 0.000 0.246 905 G C -0.837 174.062 174.900 -0.002 0.000 1.359 905 G CA -0.478 44.650 45.100 0.047 0.000 0.861 905 G HN 0.944 nan 8.290 nan 0.000 0.541 906 R N -1.274 119.181 120.500 -0.074 0.000 2.626 906 R HA 0.507 4.848 4.340 0.000 0.000 0.274 906 R C -0.003 176.275 176.300 -0.037 0.000 1.031 906 R CA -0.958 55.110 56.100 -0.053 0.000 0.898 906 R CB 1.580 31.851 30.300 -0.048 0.000 1.222 906 R HN 0.567 nan 8.270 nan 0.000 0.455 907 I N 2.109 122.551 120.570 -0.213 0.000 2.556 907 I HA 0.463 4.633 4.170 0.000 0.000 0.284 907 I C 0.876 176.722 176.117 -0.452 0.000 1.114 907 I CA 0.599 61.681 61.300 -0.364 0.000 1.418 907 I CB 1.008 38.592 38.000 -0.693 0.000 1.394 907 I HN 0.831 nan 8.210 nan 0.000 0.552 908 G N 5.625 114.235 108.800 -0.317 0.000 2.320 908 G HA2 0.334 4.294 3.960 0.000 0.000 0.296 908 G HA3 0.334 4.294 3.960 0.000 0.000 0.296 908 G C -1.470 173.061 174.900 -0.616 0.000 1.306 908 G CA -1.029 43.807 45.100 -0.439 0.000 0.836 908 G HN 0.380 nan 8.290 nan 0.000 0.517 909 L N 0.417 121.258 121.223 -0.637 0.000 2.305 909 L HA 0.579 4.919 4.340 0.000 0.000 0.281 909 L C -0.883 175.446 176.870 -0.901 0.000 1.085 909 L CA -0.482 54.009 54.840 -0.581 0.000 0.813 909 L CB 0.727 42.634 42.059 -0.253 0.000 1.157 909 L HN 0.496 nan 8.230 nan 0.000 0.436 910 Y N 0.910 120.860 120.300 -0.583 0.000 2.477 910 Y HA 0.417 4.968 4.550 0.000 0.000 0.347 910 Y C -0.415 175.211 175.900 -0.458 0.000 0.981 910 Y CA -1.109 56.634 58.100 -0.596 0.000 1.033 910 Y CB 1.999 39.897 38.460 -0.938 0.000 1.245 910 Y HN 0.465 nan 8.280 nan 0.000 0.455 911 D N 1.163 121.534 120.400 -0.049 0.000 2.498 911 D HA 0.572 5.213 4.640 0.000 0.000 0.247 911 D C -0.452 175.899 176.300 0.085 0.000 1.070 911 D CA -0.103 53.915 54.000 0.030 0.000 0.842 911 D CB 2.676 43.495 40.800 0.032 0.000 1.361 911 D HN 0.583 nan 8.370 nan 0.000 0.484 912 T N -0.509 114.126 114.554 0.135 0.000 2.661 912 T HA 0.506 4.856 4.350 0.000 0.000 0.305 912 T C -1.425 173.366 174.700 0.152 0.000 1.535 912 T CA -0.316 61.870 62.100 0.143 0.000 1.000 912 T CB 1.141 70.111 68.868 0.171 0.000 1.811 912 T HN 0.470 nan 8.240 nan 0.000 0.471 913 T N -0.918 113.719 114.554 0.138 0.000 2.916 913 T HA 0.617 4.967 4.350 0.000 0.000 0.292 913 T C 1.265 176.037 174.700 0.121 0.000 1.064 913 T CA -0.159 62.016 62.100 0.125 0.000 1.011 913 T CB 1.080 70.008 68.868 0.099 0.000 1.152 913 T HN 0.341 nan 8.240 nan 0.000 0.510 914 V N 1.162 121.137 119.914 0.102 0.000 2.295 914 V HA -0.122 3.998 4.120 0.000 0.000 0.246 914 V C 2.805 178.946 176.094 0.078 0.000 1.049 914 V CA 1.801 64.151 62.300 0.083 0.000 1.024 914 V CB -0.836 31.013 31.823 0.044 0.000 0.648 914 V HN 0.864 nan 8.190 nan 0.000 0.447 915 E N 0.097 120.335 120.200 0.063 0.000 2.153 915 E HA -0.114 4.236 4.350 0.000 0.000 0.194 915 E C 1.532 178.228 176.600 0.160 0.000 0.988 915 E CA 0.612 57.065 56.400 0.089 0.000 0.811 915 E CB -0.164 29.581 29.700 0.076 0.000 0.746 915 E HN 0.559 nan 8.360 nan 0.000 0.466 919 H N 4.756 123.356 119.070 -0.783 0.000 2.489 919 H HA 0.419 4.975 4.556 0.000 0.000 0.322 919 H C -1.228 173.654 175.328 -0.743 0.000 1.091 919 H CA -0.172 55.512 56.048 -0.607 0.000 1.291 919 H CB 0.802 30.155 29.762 -0.682 0.000 1.436 919 H HN 0.492 nan 8.280 nan 0.000 0.480 920 Y N 5.274 125.258 120.300 -0.526 0.000 2.636 920 Y HA 0.074 4.624 4.550 0.000 0.000 0.334 920 Y C -0.425 175.439 175.900 -0.061 0.000 1.286 920 Y CA -0.255 57.788 58.100 -0.096 0.000 1.688 920 Y CB -0.929 37.634 38.460 0.171 0.000 1.662 920 Y HN 0.588 nan 8.280 nan 0.000 0.465 921 Y N 0.143 120.510 120.300 0.111 0.000 2.497 921 Y HA 0.123 4.673 4.550 0.000 0.000 0.334 921 Y C 1.646 177.692 175.900 0.245 0.000 1.199 921 Y CA 0.230 58.408 58.100 0.131 0.000 1.425 921 Y CB 0.755 39.202 38.460 -0.022 0.000 1.291 921 Y HN 0.607 nan 8.280 nan 0.000 0.562 922 A N 2.045 125.117 122.820 0.420 0.000 1.940 922 A HA -0.189 4.131 4.320 0.000 0.000 0.221 922 A C 1.066 178.862 177.584 0.354 0.000 1.190 922 A CA 2.046 54.366 52.037 0.470 0.000 0.647 922 A CB -0.964 18.219 19.000 0.304 0.000 0.821 922 A HN 0.679 nan 8.150 nan 0.000 0.457 923 T N 1.698 116.365 114.554 0.188 0.000 2.770 923 T HA 0.479 4.829 4.350 0.000 0.000 0.297 923 T C -2.775 172.002 174.700 0.128 0.000 0.997 923 T CA -1.142 61.019 62.100 0.102 0.000 0.949 923 T CB 1.358 70.164 68.868 -0.104 0.000 0.941 923 T HN 0.035 nan 8.240 nan 0.000 0.457 924 P HA 0.039 nan 4.420 nan 0.000 0.261 924 P C -0.207 177.159 177.300 0.110 0.000 1.183 924 P CA 0.226 63.423 63.100 0.163 0.000 0.761 924 P CB 0.316 32.079 31.700 0.105 0.000 0.785 925 Q N 0.603 120.459 119.800 0.094 0.000 2.737 925 Q HA 0.471 4.811 4.340 0.000 0.000 0.307 925 Q C -1.002 174.990 176.000 -0.014 0.000 0.905 925 Q CA -1.087 54.716 55.803 0.000 0.000 0.753 925 Q CB 0.481 29.143 28.738 -0.128 0.000 1.463 925 Q HN 0.067 nan 8.270 nan 0.000 0.455 926 S N 0.466 116.116 115.700 -0.084 0.000 2.558 926 S HA 0.330 4.800 4.470 0.000 0.000 0.291 926 S C -0.229 174.340 174.600 -0.051 0.000 1.306 926 S CA 0.867 59.016 58.200 -0.086 0.000 1.056 926 S CB 0.493 63.599 63.200 -0.156 0.000 0.836 926 S HN 0.573 nan 8.310 nan 0.000 0.504 927 T N -0.005 114.525 114.554 -0.040 0.000 2.677 927 T HA 0.510 4.860 4.350 0.000 0.000 0.305 927 T C -0.380 174.247 174.700 -0.122 0.000 1.569 927 T CA 0.561 62.639 62.100 -0.037 0.000 0.984 927 T CB 0.307 69.026 68.868 -0.248 0.000 1.629 927 T HN 1.664 nan 8.240 nan 0.000 0.494 928 A N 1.213 123.925 122.820 -0.179 0.000 2.952 928 A HA -0.145 4.175 4.320 0.000 0.000 0.252 928 A C 0.368 177.710 177.584 -0.402 0.000 1.323 928 A CA 1.294 53.185 52.037 -0.243 0.000 0.957 928 A CB -2.745 16.167 19.000 -0.147 0.000 1.130 928 A HN 0.987 nan 8.150 nan 0.000 0.799 929 N N 0.053 118.476 118.700 -0.462 0.000 2.508 929 N HA 0.345 5.085 4.740 0.000 0.000 0.264 929 N C -0.276 174.747 175.510 -0.811 0.000 1.216 929 N CA -0.025 52.621 53.050 -0.673 0.000 0.943 929 N CB 0.213 38.193 38.487 -0.845 0.000 1.113 929 N HN 0.377 nan 8.380 nan 0.000 0.447 930 R N 1.271 121.235 120.500 -0.892 0.000 2.575 930 R HA 0.308 4.648 4.340 0.000 0.000 0.293 930 R C -0.423 175.525 176.300 -0.585 0.000 0.983 930 R CA -0.564 55.032 56.100 -0.840 0.000 0.887 930 R CB 1.548 31.115 30.300 -1.223 0.000 1.184 930 R HN 0.739 nan 8.270 nan 0.000 0.445 931 T N -2.370 111.915 114.554 -0.449 0.000 2.938 931 T HA 0.321 4.672 4.350 0.000 0.000 0.285 931 T C -0.108 174.442 174.700 -0.251 0.000 1.028 931 T CA -0.549 61.368 62.100 -0.304 0.000 1.005 931 T CB 1.062 69.781 68.868 -0.248 0.000 1.157 931 T HN 0.534 nan 8.240 nan 0.000 0.550 932 D N -0.438 119.852 120.400 -0.183 0.000 2.751 932 D HA -0.117 4.523 4.640 0.000 0.000 0.233 932 D C -0.280 175.892 176.300 -0.213 0.000 1.149 932 D CA 0.400 54.310 54.000 -0.150 0.000 0.682 932 D CB -1.749 38.977 40.800 -0.124 0.000 1.068 932 D HN 0.513 nan 8.370 nan 0.000 0.429 933 V N 0.880 120.578 119.914 -0.360 0.000 2.530 933 V HA 0.157 4.277 4.120 0.000 0.000 0.282 933 V C 1.680 177.455 176.094 -0.531 0.000 1.048 933 V CA -0.265 61.721 62.300 -0.524 0.000 0.997 933 V CB 1.806 33.154 31.823 -0.792 0.000 0.987 933 V HN 0.050 nan 8.190 nan 0.000 0.477 934 R N 3.500 123.833 120.500 -0.279 0.000 2.087 934 R HA 0.173 4.513 4.340 0.000 0.000 0.216 934 R C 0.254 176.710 176.300 0.259 0.000 1.114 934 R CA 0.776 56.874 56.100 -0.003 0.000 1.002 934 R CB 0.206 30.498 30.300 -0.012 0.000 0.903 934 R HN 0.868 nan 8.270 nan 0.000 0.445 935 W N -1.320 119.989 121.300 0.014 0.000 3.248 935 W HA 0.753 5.413 4.660 0.000 0.000 0.311 935 W C -1.798 174.622 176.519 -0.165 0.000 1.258 935 W CA -1.425 55.888 57.345 -0.052 0.000 1.191 935 W CB 1.077 30.394 29.460 -0.238 0.000 1.389 935 W HN -0.023 nan 8.180 nan 0.000 0.561 936 A N 2.401 125.295 122.820 0.123 0.000 2.454 936 A HA 0.831 5.151 4.320 0.000 0.000 0.302 936 A C -1.546 176.073 177.584 0.060 0.000 1.079 936 A CA -0.988 50.988 52.037 -0.102 0.000 0.731 936 A CB 2.450 20.904 19.000 -0.910 0.000 1.299 936 A HN 0.615 nan 8.150 nan 0.000 0.413 937 K N 0.855 121.373 120.400 0.197 0.000 2.525 937 K HA 0.654 4.974 4.320 0.000 0.000 0.254 937 K C -2.357 174.359 176.600 0.193 0.000 0.934 937 K CA -0.562 55.853 56.287 0.214 0.000 0.802 937 K CB 1.843 34.558 32.500 0.359 0.000 1.295 937 K HN 0.602 nan 8.250 nan 0.000 0.433 938 L N 3.216 124.534 121.223 0.159 0.000 2.381 938 L HA 0.638 4.978 4.340 0.000 0.000 0.274 938 L C -1.267 175.732 176.870 0.214 0.000 0.988 938 L CA 0.210 55.152 54.840 0.170 0.000 0.824 938 L CB 1.965 44.094 42.059 0.117 0.000 1.263 938 L HN 0.882 nan 8.230 nan 0.000 0.410 939 T N -0.011 114.698 114.554 0.258 0.000 2.864 939 T HA 0.749 5.099 4.350 0.000 0.000 0.299 939 T C -0.769 174.078 174.700 0.244 0.000 1.166 939 T CA -0.775 61.506 62.100 0.302 0.000 1.007 939 T CB 1.671 70.664 68.868 0.208 0.000 1.219 939 T HN 0.577 nan 8.240 nan 0.000 0.506 940 D N -0.222 120.262 120.400 0.140 0.000 2.529 940 D HA 0.247 4.887 4.640 0.000 0.000 0.273 940 D C 1.367 177.622 176.300 -0.075 0.000 1.197 940 D CA -0.846 53.105 54.000 -0.081 0.000 1.070 940 D CB 0.472 41.060 40.800 -0.353 0.000 1.134 940 D HN 0.641 nan 8.370 nan 0.000 0.590 941 Q N -0.862 118.842 119.800 -0.159 0.000 2.135 941 Q HA -0.207 4.133 4.340 0.000 0.000 0.204 941 Q C 1.726 177.498 176.000 -0.380 0.000 0.981 941 Q CA 1.733 57.386 55.803 -0.249 0.000 0.856 941 Q CB -0.372 28.176 28.738 -0.317 0.000 0.902 941 Q HN 0.623 nan 8.270 nan 0.000 0.425 942 A N -0.742 121.903 122.820 -0.292 0.000 2.235 942 A HA 0.199 4.519 4.320 0.000 0.000 0.208 942 A C 1.481 179.041 177.584 -0.040 0.000 1.172 942 A CA 0.981 52.895 52.037 -0.206 0.000 0.786 942 A CB -0.406 18.516 19.000 -0.131 0.000 0.804 942 A HN 0.624 nan 8.150 nan 0.000 0.479 943 G N -0.999 107.807 108.800 0.009 0.000 2.176 943 G HA2 -0.229 3.732 3.960 0.000 0.000 0.253 943 G HA3 -0.229 3.732 3.960 0.000 0.000 0.253 943 G C -0.061 174.908 174.900 0.116 0.000 0.979 943 G CA 0.336 45.495 45.100 0.098 0.000 0.641 943 G HN 0.607 nan 8.290 nan 0.000 0.530 944 E N -0.062 120.205 120.200 0.113 0.000 2.313 944 E HA 0.583 4.934 4.350 0.000 0.000 0.272 944 E C 0.820 177.608 176.600 0.313 0.000 1.038 944 E CA 0.380 56.886 56.400 0.176 0.000 0.863 944 E CB 1.421 31.216 29.700 0.159 0.000 1.060 944 E HN 0.777 nan 8.360 nan 0.000 0.402 945 G N 0.562 109.519 108.800 0.260 0.000 2.552 945 G HA2 0.286 4.247 3.960 0.000 0.000 0.137 945 G HA3 0.286 4.247 3.960 0.000 0.000 0.137 945 G C -1.590 173.358 174.900 0.081 0.000 1.135 945 G CA -0.023 45.193 45.100 0.193 0.000 1.047 945 G HN 0.552 nan 8.290 nan 0.000 0.501 946 V N 0.147 120.116 119.914 0.092 0.000 3.000 946 V HA 0.722 4.842 4.120 0.000 0.000 0.300 946 V C -1.499 174.718 176.094 0.205 0.000 1.251 946 V CA -0.789 61.588 62.300 0.129 0.000 0.972 946 V CB 1.623 33.480 31.823 0.055 0.000 1.065 946 V HN 1.196 nan 8.190 nan 0.000 0.431 950 S N -0.719 115.079 115.700 0.163 0.000 2.998 950 S HA 0.414 4.884 4.470 0.000 0.000 0.307 950 S C -0.517 174.137 174.600 0.090 0.000 1.063 950 S CA 0.013 58.174 58.200 -0.065 0.000 0.895 950 S CB 0.831 63.822 63.200 -0.349 0.000 1.362 950 S HN 0.702 nan 8.310 nan 0.000 0.657 951 N N 0.935 119.648 118.700 0.022 0.000 2.235 951 N HA 0.223 4.964 4.740 0.000 0.000 0.231 951 N C -0.216 175.350 175.510 0.094 0.000 1.177 951 N CA -0.400 52.697 53.050 0.078 0.000 0.874 951 N CB -0.136 38.374 38.487 0.038 0.000 1.097 951 N HN 0.706 nan 8.380 nan 0.000 0.518 952 R N -1.963 118.615 120.500 0.129 0.000 2.765 952 R HA 0.450 4.790 4.340 0.000 0.000 0.277 952 R C -3.425 173.014 176.300 0.232 0.000 1.028 952 R CA -1.148 55.037 56.100 0.142 0.000 0.860 952 R CB -0.192 30.167 30.300 0.098 0.000 1.270 952 R HN -0.244 nan 8.270 nan 0.000 0.484 953 P HA 0.076 nan 4.420 nan 0.000 0.265 953 P C -1.137 176.302 177.300 0.232 0.000 1.193 953 P CA 0.198 63.386 63.100 0.146 0.000 0.765 953 P CB 0.108 31.841 31.700 0.056 0.000 0.823 954 F N 0.108 120.129 119.950 0.119 0.000 2.814 954 F HA 0.680 5.207 4.527 0.000 0.000 0.353 954 F C -0.676 175.204 175.800 0.133 0.000 1.177 954 F CA -1.208 56.890 58.000 0.163 0.000 1.036 954 F CB 1.093 40.299 39.000 0.343 0.000 1.455 954 F HN 0.149 nan 8.300 nan 0.000 0.520 955 Q N 0.614 120.603 119.800 0.314 0.000 2.387 955 Q HA 0.660 5.000 4.340 0.000 0.000 0.273 955 Q C -1.695 174.496 176.000 0.318 0.000 1.089 955 Q CA -0.935 54.921 55.803 0.088 0.000 0.824 955 Q CB 3.224 31.965 28.738 0.004 0.000 1.367 955 Q HN 0.696 nan 8.270 nan 0.000 0.443 956 F N -1.555 118.346 119.950 -0.081 0.000 2.693 956 F HA 0.770 5.297 4.527 0.000 0.000 0.309 956 F C -1.477 174.239 175.800 -0.140 0.000 1.129 956 F CA -0.792 57.187 58.000 -0.035 0.000 0.948 956 F CB 1.568 40.602 39.000 0.056 0.000 1.315 956 F HN 0.488 nan 8.300 nan 0.000 0.447 957 S N 2.228 117.873 115.700 -0.091 0.000 2.543 957 S HA 0.813 5.283 4.470 0.000 0.000 0.271 957 S C -1.551 173.078 174.600 0.048 0.000 1.148 957 S CA -0.690 57.386 58.200 -0.206 0.000 0.914 957 S CB 1.406 64.493 63.200 -0.188 0.000 1.096 957 S HN 0.849 nan 8.310 nan 0.000 0.471 958 I N 3.738 124.330 120.570 0.038 0.000 2.439 958 I HA 0.528 4.698 4.170 0.000 0.000 0.285 958 I C -0.520 175.645 176.117 0.080 0.000 1.021 958 I CA -0.869 60.480 61.300 0.083 0.000 1.091 958 I CB 1.585 39.664 38.000 0.131 0.000 1.242 958 I HN 0.841 nan 8.210 nan 0.000 0.439 959 I N 4.356 124.981 120.570 0.092 0.000 2.846 959 I HA 0.610 4.780 4.170 0.000 0.000 0.307 959 I C -2.329 173.745 176.117 -0.072 0.000 1.053 959 I CA -2.212 59.166 61.300 0.129 0.000 1.050 959 I CB 2.603 40.803 38.000 0.333 0.000 1.239 959 I HN 0.232 nan 8.210 nan 0.000 0.439 960 P HA 0.223 nan 4.420 nan 0.000 0.257 960 P C -0.673 176.095 177.300 -0.887 0.000 1.325 960 P CA 0.446 63.162 63.100 -0.639 0.000 0.850 960 P CB -0.206 31.007 31.700 -0.812 0.000 1.324 961 F N -0.076 119.814 119.950 -0.099 0.000 2.640 961 F HA 0.397 4.925 4.527 0.000 0.000 0.324 961 F C 0.973 176.774 175.800 0.001 0.000 1.077 961 F CA -1.081 56.876 58.000 -0.072 0.000 0.965 961 F CB 0.830 39.759 39.000 -0.119 0.000 1.351 961 F HN -0.305 nan 8.300 nan 0.000 0.487 962 S N -0.452 115.382 115.700 0.224 0.000 2.586 962 S HA 0.235 4.705 4.470 0.000 0.000 0.274 962 S C 0.221 174.927 174.600 0.176 0.000 1.281 962 S CA -0.626 57.664 58.200 0.150 0.000 1.035 962 S CB 1.208 64.471 63.200 0.105 0.000 0.962 962 S HN 0.548 nan 8.310 nan 0.000 0.512 963 D N 1.573 122.081 120.400 0.179 0.000 2.149 963 D HA -0.095 4.545 4.640 0.000 0.000 0.198 963 D C 1.941 178.348 176.300 0.178 0.000 0.990 963 D CA 0.848 54.971 54.000 0.204 0.000 0.839 963 D CB -0.491 40.462 40.800 0.255 0.000 0.948 963 D HN 0.393 nan 8.370 nan 0.000 0.460 964 V N 0.915 120.910 119.914 0.135 0.000 2.233 964 V HA -0.244 3.876 4.120 0.000 0.000 0.247 964 V C 2.458 178.597 176.094 0.074 0.000 1.050 964 V CA 1.473 63.830 62.300 0.095 0.000 1.010 964 V CB -0.620 31.239 31.823 0.060 0.000 0.637 964 V HN 0.187 nan 8.190 nan 0.000 0.444 965 L N -0.308 120.953 121.223 0.063 0.000 2.046 965 L HA -0.116 4.224 4.340 0.000 0.000 0.208 965 L C 2.168 179.039 176.870 0.001 0.000 1.077 965 L CA 1.833 56.684 54.840 0.018 0.000 0.747 965 L CB -0.839 41.231 42.059 0.018 0.000 0.896 965 L HN 0.290 nan 8.230 nan 0.000 0.432 966 L N -0.099 121.156 121.223 0.054 0.000 2.046 966 L HA -0.192 4.148 4.340 0.000 0.000 0.208 966 L C 2.521 179.440 176.870 0.082 0.000 1.077 966 L CA 2.183 57.060 54.840 0.063 0.000 0.747 966 L CB -0.845 41.312 42.059 0.163 0.000 0.896 966 L HN 0.527 nan 8.230 nan 0.000 0.432 967 E N 0.005 120.278 120.200 0.121 0.000 2.072 967 E HA -0.273 4.078 4.350 0.000 0.000 0.191 967 E C 2.284 178.942 176.600 0.097 0.000 0.985 967 E CA 1.836 58.332 56.400 0.160 0.000 0.801 967 E CB -0.308 29.555 29.700 0.273 0.000 0.750 967 E HN 0.498 nan 8.360 nan 0.000 0.452 968 K N -0.069 120.345 120.400 0.024 0.000 2.097 968 K HA 0.061 4.381 4.320 0.000 0.000 0.205 968 K C 0.342 176.804 176.600 -0.230 0.000 1.050 968 K CA 0.753 56.987 56.287 -0.089 0.000 0.938 968 K CB -0.251 32.208 32.500 -0.068 0.000 0.718 968 K HN 0.175 nan 8.250 nan 0.000 0.442 969 A N 1.204 123.954 122.820 -0.118 0.000 2.477 969 A HA 0.027 4.348 4.320 0.000 0.000 0.246 969 A C -0.242 177.368 177.584 0.043 0.000 1.078 969 A CA -0.071 51.908 52.037 -0.096 0.000 0.770 969 A CB 0.087 19.043 19.000 -0.075 0.000 1.011 969 A HN 0.450 nan 8.150 nan 0.000 0.494 970 H N 0.498 119.616 119.070 0.080 0.000 3.046 970 H HA 0.209 4.765 4.556 0.000 0.000 0.262 970 H C -0.492 174.849 175.328 0.022 0.000 1.044 970 H CA 0.338 56.439 56.048 0.089 0.000 1.209 970 H CB 0.222 30.080 29.762 0.160 0.000 1.507 970 H HN 0.831 nan 8.280 nan 0.000 0.507 971 H N -0.581 118.593 119.070 0.173 0.000 2.717 971 H HA 0.193 4.750 4.556 0.000 0.000 0.366 971 H C 1.115 176.441 175.328 -0.004 0.000 1.132 971 H CA -0.674 55.437 56.048 0.106 0.000 1.180 971 H CB 1.807 31.538 29.762 -0.052 0.000 1.678 971 H HN -0.197 nan 8.280 nan 0.000 0.537 972 I N 1.296 121.942 120.570 0.126 0.000 2.145 972 I HA -0.325 3.845 4.170 0.000 0.000 0.244 972 I C 1.998 177.987 176.117 -0.214 0.000 1.075 972 I CA 1.465 62.721 61.300 -0.074 0.000 1.332 972 I CB -0.744 37.055 38.000 -0.334 0.000 1.033 972 I HN 0.751 nan 8.210 nan 0.000 0.410 973 N N 1.339 119.905 118.700 -0.222 0.000 2.519 973 N HA -0.212 4.529 4.740 0.000 0.000 0.186 973 N C 1.290 176.660 175.510 -0.233 0.000 1.062 973 N CA 0.931 53.815 53.050 -0.277 0.000 0.910 973 N CB -0.563 37.721 38.487 -0.339 0.000 0.958 973 N HN 0.536 nan 8.380 nan 0.000 0.445 974 E N 0.111 120.195 120.200 -0.194 0.000 2.371 974 E HA 0.147 4.497 4.350 0.000 0.000 0.194 974 E C 0.121 176.605 176.600 -0.192 0.000 1.012 974 E CA -0.174 56.125 56.400 -0.167 0.000 0.860 974 E CB 0.200 29.826 29.700 -0.123 0.000 0.811 974 E HN 0.363 nan 8.360 nan 0.000 0.502 975 L N 2.006 123.063 121.223 -0.276 0.000 2.462 975 L HA 0.104 4.445 4.340 0.000 0.000 0.272 975 L C 0.081 176.817 176.870 -0.223 0.000 1.166 975 L CA 0.381 54.934 54.840 -0.478 0.000 0.880 975 L CB 0.318 41.833 42.059 -0.907 0.000 1.142 975 L HN 0.024 nan 8.230 nan 0.000 0.473 976 E N 3.253 123.414 120.200 -0.065 0.000 2.308 976 E HA 0.374 4.724 4.350 0.000 0.000 0.275 976 E C -1.043 175.717 176.600 0.267 0.000 0.890 976 E CA -0.781 55.686 56.400 0.112 0.000 0.754 976 E CB 1.455 31.168 29.700 0.022 0.000 1.207 976 E HN 0.404 nan 8.360 nan 0.000 0.426 977 R N 1.853 122.484 120.500 0.217 0.000 2.582 977 R HA 0.198 4.538 4.340 0.000 0.000 0.271 977 R C -0.169 176.160 176.300 0.050 0.000 1.078 977 R CA 0.017 56.170 56.100 0.088 0.000 1.127 977 R CB 0.484 30.756 30.300 -0.046 0.000 1.038 977 R HN 0.609 nan 8.270 nan 0.000 0.500 978 D N -0.078 120.336 120.400 0.025 0.000 2.503 978 D HA 0.177 4.818 4.640 0.000 0.000 0.218 978 D C 0.567 176.869 176.300 0.004 0.000 1.183 978 D CA 0.007 54.019 54.000 0.020 0.000 0.827 978 D CB 0.721 41.540 40.800 0.032 0.000 1.034 978 D HN 0.732 nan 8.370 nan 0.000 0.510 982 T N 5.109 119.626 114.554 -0.061 0.000 2.770 982 T HA 0.641 4.991 4.350 0.000 0.000 0.283 982 T C -0.270 174.335 174.700 -0.158 0.000 0.988 982 T CA -0.387 61.654 62.100 -0.100 0.000 0.957 982 T CB 1.142 70.024 68.868 0.023 0.000 0.930 982 T HN 0.314 nan 8.240 nan 0.000 0.443 983 I N 3.524 123.829 120.570 -0.442 0.000 2.377 983 I HA 0.396 4.566 4.170 0.000 0.000 0.293 983 I C -0.190 175.600 176.117 -0.546 0.000 0.987 983 I CA -0.681 60.303 61.300 -0.527 0.000 1.185 983 I CB 1.235 38.577 38.000 -1.097 0.000 1.341 983 I HN 0.685 nan 8.210 nan 0.000 0.455 984 H N 5.614 124.566 119.070 -0.197 0.000 2.658 984 H HA 0.559 5.115 4.556 0.000 0.000 0.337 984 H C -0.831 174.444 175.328 -0.090 0.000 1.009 984 H CA -0.370 55.603 56.048 -0.125 0.000 1.231 984 H CB 1.986 31.701 29.762 -0.078 0.000 1.508 984 H HN 0.387 nan 8.280 nan 0.000 0.517 985 L N 4.050 125.208 121.223 -0.109 0.000 2.294 985 L HA 0.348 4.689 4.340 0.000 0.000 0.283 985 L C -0.673 176.077 176.870 -0.202 0.000 1.015 985 L CA -0.647 53.965 54.840 -0.382 0.000 0.831 985 L CB 0.953 42.310 42.059 -1.170 0.000 1.217 985 L HN 0.598 nan 8.230 nan 0.000 0.420 986 D N 2.513 122.993 120.400 0.133 0.000 2.256 986 D HA 0.334 4.974 4.640 0.000 0.000 0.240 986 D C 0.523 177.025 176.300 0.338 0.000 1.062 986 D CA -0.293 53.812 54.000 0.175 0.000 0.832 986 D CB 2.534 43.389 40.800 0.091 0.000 1.135 986 D HN 0.529 nan 8.370 nan 0.000 0.484 987 A N 2.437 125.309 122.820 0.086 0.000 2.095 987 A HA 0.045 4.365 4.320 0.000 0.000 0.212 987 A C 0.563 178.151 177.584 0.007 0.000 1.162 987 A CA 0.706 52.749 52.037 0.010 0.000 0.753 987 A CB 0.366 19.174 19.000 -0.319 0.000 0.840 987 A HN 0.391 nan 8.150 nan 0.000 0.468 988 E N -0.828 119.349 120.200 -0.037 0.000 2.352 988 E HA 0.483 4.833 4.350 0.000 0.000 0.280 988 E C -1.391 175.199 176.600 -0.016 0.000 0.930 988 E CA -0.363 56.033 56.400 -0.006 0.000 0.765 988 E CB 1.481 31.172 29.700 -0.016 0.000 1.219 988 E HN 0.357 nan 8.360 nan 0.000 0.434 989 Q N 0.854 120.661 119.800 0.011 0.000 2.364 989 Q HA 0.570 4.910 4.340 0.000 0.000 0.257 989 Q C -1.338 174.685 176.000 0.038 0.000 0.956 989 Q CA -0.494 55.304 55.803 -0.009 0.000 0.924 989 Q CB 2.080 30.815 28.738 -0.005 0.000 1.413 989 Q HN 0.706 nan 8.270 nan 0.000 0.418 990 A N 1.957 124.792 122.820 0.026 0.000 2.475 990 A HA 0.552 4.872 4.320 0.000 0.000 0.239 990 A C 0.572 178.191 177.584 0.059 0.000 1.087 990 A CA 0.745 52.830 52.037 0.081 0.000 0.779 990 A CB 0.025 19.104 19.000 0.132 0.000 1.036 990 A HN 0.791 nan 8.150 nan 0.000 0.506 991 G N -1.764 107.072 108.800 0.060 0.000 2.563 991 G HA2 0.433 4.393 3.960 0.000 0.000 0.283 991 G HA3 0.433 4.393 3.960 0.000 0.000 0.283 991 G C 0.845 175.669 174.900 -0.127 0.000 1.309 991 G CA 0.251 45.327 45.100 -0.040 0.000 1.022 991 G HN 1.617 nan 8.290 nan 0.000 0.501 992 V N -2.770 117.019 119.914 -0.208 0.000 3.621 992 V HA 0.510 4.631 4.120 0.000 0.000 0.263 992 V C 1.606 177.614 176.094 -0.143 0.000 1.272 992 V CA 0.969 63.113 62.300 -0.259 0.000 1.080 992 V CB -1.078 30.487 31.823 -0.431 0.000 0.816 992 V HN 1.953 nan 8.190 nan 0.000 0.451 993 G N 1.910 110.661 108.800 -0.081 0.000 2.578 993 G HA2 -0.239 3.721 3.960 0.000 0.000 0.275 993 G HA3 -0.239 3.721 3.960 0.000 0.000 0.275 993 G C 0.396 175.284 174.900 -0.020 0.000 1.271 993 G CA 1.310 46.397 45.100 -0.022 0.000 0.941 993 G HN 1.790 nan 8.290 nan 0.000 0.564 994 T N -4.592 109.971 114.554 0.015 0.000 4.047 994 T HA 0.690 5.040 4.350 0.000 0.000 0.286 994 T C 1.288 176.005 174.700 0.027 0.000 0.945 994 T CA 1.001 63.126 62.100 0.042 0.000 1.079 994 T CB 0.416 69.353 68.868 0.115 0.000 1.094 994 T HN 2.062 nan 8.240 nan 0.000 0.492 995 A N 1.803 124.611 122.820 -0.021 0.000 2.125 995 A HA 0.017 4.337 4.320 0.000 0.000 0.219 995 A C 2.460 180.008 177.584 -0.061 0.000 1.156 995 A CA 1.817 53.826 52.037 -0.047 0.000 0.671 995 A CB -1.232 17.726 19.000 -0.070 0.000 0.794 995 A HN 0.815 nan 8.150 nan 0.000 0.459 996 T N -4.191 110.343 114.554 -0.033 0.000 2.849 996 T HA -0.104 4.246 4.350 0.000 0.000 0.270 996 T C 0.713 175.318 174.700 -0.157 0.000 1.066 996 T CA 1.101 63.209 62.100 0.014 0.000 1.130 996 T CB -0.776 68.148 68.868 0.094 0.000 0.864 996 T HN 0.813 nan 8.240 nan 0.000 0.481 997 C N 0.837 119.927 119.300 -0.349 0.000 3.130 997 C HA 0.612 5.072 4.460 0.000 0.000 0.386 997 C C 0.328 175.043 174.990 -0.458 0.000 1.064 997 C CA 0.234 58.872 59.018 -0.633 0.000 1.298 997 C CB -0.002 26.951 27.740 -1.312 0.000 1.675 997 C HN 1.230 nan 8.230 nan 0.000 0.527 998 G N 5.942 114.610 108.800 -0.220 0.000 2.331 998 G HA2 0.176 4.136 3.960 0.000 0.000 0.479 998 G HA3 0.176 4.136 3.960 0.000 0.000 0.479 998 G C -3.219 171.710 174.900 0.049 0.000 1.262 998 G CA -0.295 44.817 45.100 0.020 0.000 1.029 998 G HN 0.630 nan 8.290 nan 0.000 0.487 999 P HA 0.416 nan 4.420 nan 0.000 0.268 999 P C 0.807 178.137 177.300 0.049 0.000 1.205 999 P CA 0.949 64.093 63.100 0.074 0.000 0.771 999 P CB 0.839 32.593 31.700 0.089 0.000 0.858 1000 G N 1.544 110.354 108.800 0.017 0.000 2.510 1000 G HA2 0.328 4.289 3.960 0.000 0.000 0.280 1000 G HA3 0.328 4.289 3.960 0.000 0.000 0.280 1000 G C -0.395 174.520 174.900 0.026 0.000 1.386 1000 G CA -0.709 44.391 45.100 -0.000 0.000 1.047 1000 G HN 0.378 nan 8.290 nan 0.000 0.527 1001 V N 0.603 120.533 119.914 0.027 0.000 2.617 1001 V HA 0.026 4.146 4.120 0.000 0.000 0.304 1001 V C 0.852 177.005 176.094 0.100 0.000 1.040 1001 V CA 0.108 62.455 62.300 0.079 0.000 1.149 1001 V CB 0.330 32.206 31.823 0.088 0.000 0.914 1001 V HN 0.382 nan 8.190 nan 0.000 0.487 1002 L N 7.415 128.735 121.223 0.161 0.000 2.467 1002 L HA 0.128 4.469 4.340 0.000 0.000 0.270 1002 L C -1.007 175.882 176.870 0.033 0.000 1.205 1002 L CA -1.155 53.739 54.840 0.089 0.000 0.828 1002 L CB 0.177 42.296 42.059 0.101 0.000 1.101 1002 L HN 0.459 nan 8.230 nan 0.000 0.479 1003 P HA -0.277 nan 4.420 nan 0.000 0.217 1003 P C 1.166 178.412 177.300 -0.090 0.000 1.162 1003 P CA 1.280 64.354 63.100 -0.043 0.000 0.901 1003 P CB -0.053 31.614 31.700 -0.054 0.000 0.793 1004 Q N -1.504 118.158 119.800 -0.230 0.000 2.561 1004 Q HA -0.167 4.173 4.340 0.000 0.000 0.217 1004 Q C 0.417 176.182 176.000 -0.392 0.000 0.980 1004 Q CA 1.545 57.139 55.803 -0.349 0.000 0.927 1004 Q CB -0.808 27.634 28.738 -0.494 0.000 0.980 1004 Q HN 0.376 nan 8.270 nan 0.000 0.525 1005 Y N 0.059 120.372 120.300 0.022 0.000 2.557 1005 Y HA 0.417 4.967 4.550 0.000 0.000 0.247 1005 Y C 0.458 176.382 175.900 0.041 0.000 1.164 1005 Y CA -0.781 57.337 58.100 0.030 0.000 1.218 1005 Y CB 0.614 39.090 38.460 0.027 0.000 1.210 1005 Y HN -0.065 nan 8.280 nan 0.000 0.529 1006 L N 0.396 121.703 121.223 0.140 0.000 2.375 1006 L HA 0.335 4.675 4.340 0.000 0.000 0.271 1006 L C 0.059 176.995 176.870 0.110 0.000 1.107 1006 L CA -0.936 53.982 54.840 0.129 0.000 0.806 1006 L CB 1.167 43.286 42.059 0.100 0.000 1.146 1006 L HN -0.244 nan 8.230 nan 0.000 0.447 1007 V N 3.737 123.722 119.914 0.117 0.000 2.521 1007 V HA 0.084 4.205 4.120 0.000 0.000 0.286 1007 V C -1.878 174.271 176.094 0.091 0.000 1.034 1007 V CA -1.112 61.240 62.300 0.088 0.000 1.045 1007 V CB 0.522 32.381 31.823 0.060 0.000 0.974 1007 V HN 0.634 nan 8.190 nan 0.000 0.480 1008 P HA 0.129 nan 4.420 nan 0.000 0.267 1008 P C -0.544 176.808 177.300 0.087 0.000 1.205 1008 P CA -0.056 63.086 63.100 0.071 0.000 0.765 1008 P CB 0.500 32.234 31.700 0.058 0.000 0.828 1009 V N 5.202 125.164 119.914 0.080 0.000 2.218 1009 V HA 0.273 4.393 4.120 0.000 0.000 0.261 1009 V C 0.448 176.566 176.094 0.040 0.000 1.142 1009 V CA 0.091 62.441 62.300 0.084 0.000 0.965 1009 V CB -1.165 30.713 31.823 0.091 0.000 1.190 1009 V HN 0.657 nan 8.190 nan 0.000 0.478 1010 K N 1.710 122.127 120.400 0.029 0.000 2.615 1010 K HA 0.500 4.820 4.320 0.000 0.000 0.291 1010 K C -0.882 175.704 176.600 -0.022 0.000 1.017 1010 K CA -1.217 55.064 56.287 -0.010 0.000 0.882 1010 K CB 1.776 34.279 32.500 0.006 0.000 1.522 1010 K HN 0.050 nan 8.250 nan 0.000 0.412 1011 K N 1.488 121.857 120.400 -0.052 0.000 2.472 1011 K HA -0.024 4.296 4.320 0.000 0.000 0.280 1011 K C -0.851 175.763 176.600 0.022 0.000 1.028 1011 K CA 0.871 57.127 56.287 -0.051 0.000 1.045 1011 K CB 0.406 32.871 32.500 -0.059 0.000 0.902 1011 K HN 0.460 nan 8.250 nan 0.000 0.478 1012 Q N 1.517 121.366 119.800 0.082 0.000 2.421 1012 Q HA 0.361 4.701 4.340 0.000 0.000 0.280 1012 Q C -1.369 174.740 176.000 0.182 0.000 1.085 1012 Q CA -0.926 54.964 55.803 0.144 0.000 0.807 1012 Q CB 2.579 31.437 28.738 0.200 0.000 1.405 1012 Q HN 0.478 nan 8.270 nan 0.000 0.419 1013 S N 1.257 117.055 115.700 0.162 0.000 2.542 1013 S HA 0.877 5.347 4.470 0.000 0.000 0.293 1013 S C -1.357 173.359 174.600 0.194 0.000 1.089 1013 S CA -0.627 57.630 58.200 0.095 0.000 0.961 1013 S CB 0.906 64.105 63.200 -0.001 0.000 1.062 1013 S HN 0.516 nan 8.310 nan 0.000 0.483 1014 F N -0.091 119.841 119.950 -0.030 0.000 2.703 1014 F HA 0.779 5.306 4.527 0.000 0.000 0.308 1014 F C -1.146 174.563 175.800 -0.152 0.000 1.126 1014 F CA -1.044 56.894 58.000 -0.104 0.000 0.959 1014 F CB 0.975 39.922 39.000 -0.088 0.000 1.297 1014 F HN 0.597 nan 8.300 nan 0.000 0.441 1015 E N 1.232 121.326 120.200 -0.177 0.000 2.393 1015 E HA 0.799 5.150 4.350 0.000 0.000 0.273 1015 E C -2.226 174.104 176.600 -0.450 0.000 0.918 1015 E CA -0.923 55.332 56.400 -0.242 0.000 0.773 1015 E CB 3.127 32.733 29.700 -0.157 0.000 1.275 1015 E HN 0.518 nan 8.360 nan 0.000 0.451 1016 F N 0.055 120.011 119.950 0.010 0.000 2.596 1016 F HA 0.419 4.946 4.527 0.000 0.000 0.311 1016 F C -0.703 175.087 175.800 -0.017 0.000 1.116 1016 F CA -0.514 57.468 58.000 -0.031 0.000 0.957 1016 F CB 2.956 41.930 39.000 -0.044 0.000 1.250 1016 F HN 0.397 nan 8.300 nan 0.000 0.444 1017 T N 4.463 119.152 114.554 0.226 0.000 2.807 1017 T HA 0.680 5.030 4.350 0.000 0.000 0.279 1017 T C -0.595 174.229 174.700 0.206 0.000 0.993 1017 T CA -0.587 61.598 62.100 0.141 0.000 0.970 1017 T CB 0.972 69.933 68.868 0.156 0.000 0.950 1017 T HN 0.305 nan 8.240 nan 0.000 0.441 1018 L N 3.454 124.708 121.223 0.051 0.000 2.307 1018 L HA 0.544 4.884 4.340 0.000 0.000 0.284 1018 L C -1.069 175.844 176.870 0.070 0.000 1.023 1018 L CA -1.027 53.880 54.840 0.112 0.000 0.810 1018 L CB 0.966 43.007 42.059 -0.030 0.000 1.231 1018 L HN 0.678 nan 8.230 nan 0.000 0.423 1019 Y N 2.829 123.213 120.300 0.140 0.000 2.345 1019 Y HA 0.363 4.913 4.550 0.000 0.000 0.331 1019 Y C -2.224 173.726 175.900 0.084 0.000 0.959 1019 Y CA -2.428 55.740 58.100 0.113 0.000 1.204 1019 Y CB 1.681 40.228 38.460 0.144 0.000 1.135 1019 Y HN 0.389 nan 8.280 nan 0.000 0.477 1020 P HA 0.118 nan 4.420 nan 0.000 0.272 1020 P C -1.059 176.313 177.300 0.120 0.000 1.223 1020 P CA -0.174 62.989 63.100 0.106 0.000 0.784 1020 P CB 0.928 32.662 31.700 0.056 0.000 0.923 1021 V N -0.898 119.081 119.914 0.109 0.000 3.049 1021 V HA 0.642 4.763 4.120 0.000 0.000 0.309 1021 V C -1.104 175.044 176.094 0.089 0.000 1.148 1021 V CA -0.938 61.416 62.300 0.089 0.000 0.990 1021 V CB 2.613 34.492 31.823 0.093 0.000 1.039 1021 V HN 0.299 nan 8.190 nan 0.000 0.430 1022 K N 2.358 122.799 120.400 0.069 0.000 2.675 1022 K HA 0.444 4.765 4.320 0.000 0.000 0.224 1022 K C -0.200 176.442 176.600 0.070 0.000 1.003 1022 K CA -0.185 56.144 56.287 0.070 0.000 1.034 1022 K CB 1.789 34.320 32.500 0.052 0.000 1.218 1022 K HN 0.855 nan 8.250 nan 0.000 0.507 1023 E N 1.294 121.553 120.200 0.099 0.000 2.479 1023 E HA 0.076 4.427 4.350 0.000 0.000 0.193 1023 E C 0.679 177.371 176.600 0.152 0.000 1.049 1023 E CA -0.103 56.382 56.400 0.142 0.000 0.870 1023 E CB 0.435 30.241 29.700 0.177 0.000 0.944 1023 E HN 0.806 nan 8.360 nan 0.000 0.492 1024 G N 1.734 110.578 108.800 0.073 0.000 2.814 1024 G HA2 -0.307 3.654 3.960 0.000 0.000 0.677 1024 G HA3 -0.307 3.654 3.960 0.000 0.000 0.677 1024 G C -0.932 173.961 174.900 -0.012 0.000 1.429 1024 G CA -0.433 44.660 45.100 -0.011 0.000 0.868 1024 G HN 0.500 nan 8.290 nan 0.000 0.553 1025 H N 0.923 119.886 119.070 -0.179 0.000 2.690 1025 H HA 0.398 4.954 4.556 0.000 0.000 0.289 1025 H C 0.073 175.218 175.328 -0.306 0.000 1.089 1025 H CA -0.844 55.090 56.048 -0.190 0.000 1.299 1025 H CB 0.155 29.830 29.762 -0.144 0.000 1.405 1025 H HN 0.495 nan 8.280 nan 0.000 0.463 1026 H N 5.008 124.124 119.070 0.078 0.000 2.652 1026 H HA 0.079 4.635 4.556 0.000 0.000 0.298 1026 H C -0.294 174.854 175.328 -0.300 0.000 1.076 1026 H CA -0.457 55.591 56.048 0.001 0.000 1.360 1026 H CB 0.560 30.424 29.762 0.170 0.000 1.421 1026 H HN 0.730 nan 8.280 nan 0.000 0.464 1027 H N 2.709 121.676 119.070 -0.172 0.000 2.502 1027 H HA 0.284 4.841 4.556 0.000 0.000 0.327 1027 H C 0.044 175.271 175.328 -0.169 0.000 1.099 1027 H CA -0.116 55.741 56.048 -0.319 0.000 1.323 1027 H CB 0.707 30.294 29.762 -0.292 0.000 1.450 1027 H HN 0.791 nan 8.280 nan 0.000 0.502 1028 H N -1.330 117.783 119.070 0.073 0.000 2.935 1028 H HA 0.266 4.822 4.556 0.000 0.000 0.297 1028 H C -1.007 174.331 175.328 0.018 0.000 1.423 1028 H CA -0.941 55.147 56.048 0.065 0.000 1.161 1028 H CB 0.387 30.206 29.762 0.095 0.000 1.841 1028 H HN 0.550 nan 8.280 nan 0.000 0.506 1029 H N 0.000 119.230 119.070 0.266 0.000 2.539 1029 H HA 0.000 4.556 4.556 0.000 0.000 0.296 1029 H CA 0.000 56.156 56.048 0.180 0.000 1.023 1029 H CB 0.000 29.826 29.762 0.107 0.000 1.292 1029 H HN 0.000 nan 8.280 nan 0.000 0.496