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 2hu5_1_B DATA FIRST_RESID 8 DATA SEQUENCE EFSRIVRDVE RLIAVEKYSL QGVVDGDKLL VVGFSEGSVN AYLYDGGETV DATA SEQUENCE KLNREPINSV LDPHYGVGRV ILVRDVSKGA EQHALFKVNT SRPGEEQRLE DATA SEQUENCE AVKPMRILSG VDTGEAVVFT GATEDRVALY ALDGGGLREL ARLPGFGFVS DATA SEQUENCE DIRGDLIAGL GFFGGGRVSL FTSNLSSGGL RVFDSGEGSF SSASISPGMK DATA SEQUENCE VTAGLETARE ARLVTVDPRD GSVEDLELPS KDFSSYRPTA ITWLGYLPDG DATA SEQUENCE RLAVVARREG RSAVFIDGER VEAPQGNHGR VVLWRGKLVT SHTSLSTPPR DATA SEQUENCE IVSLPSGEPL LEGGLPEDLR RSIAGSRLVW VESFDGSRVP TYVLESGRAP DATA SEQUENCE TPGPTVVLVH GGPFAEDSDS WDTFAASLAA AGFHVVMPNY RGSTGYGEEW DATA SEQUENCE RLKIIGDPCG GELEDVSAAA RWARESGLAS ELYIMGYSYG GYMTLCALTM DATA SEQUENCE KPGLFKAGVA GASVVDWEEM YELSDAAFRN FIEQLTGGSR EIMRSRSPIN DATA SEQUENCE HVDRIKEPLA LIHPQNDSRT PLKPLLRLMG ELLARGKTFE AHIIPDAGHA DATA SEQUENCE INTMEDAVKI LLPAVFFLAT QRERR 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 8 E HA 0.000 nan 4.350 nan 0.000 0.291 8 E C 0.000 176.559 176.600 -0.068 0.000 1.382 8 E CA 0.000 56.361 56.400 -0.066 0.000 0.976 8 E CB 0.000 29.653 29.700 -0.078 0.000 0.812 9 F N 2.086 121.943 119.950 -0.156 0.000 2.202 9 F HA -0.191 4.336 4.527 0.001 0.000 0.301 9 F C 3.033 178.859 175.800 0.044 0.000 1.082 9 F CA 1.405 59.264 58.000 -0.236 0.000 1.313 9 F CB -0.870 37.776 39.000 -0.590 0.000 1.024 9 F HN 0.462 nan 8.300 nan 0.000 0.495 10 S N 0.867 116.580 115.700 0.023 0.000 2.383 10 S HA -0.176 4.294 4.470 0.001 0.000 0.227 10 S C 2.116 176.758 174.600 0.070 0.000 1.026 10 S CA 1.299 59.537 58.200 0.063 0.000 0.981 10 S CB -0.806 62.411 63.200 0.027 0.000 0.818 10 S HN 0.546 nan 8.310 nan 0.000 0.472 11 R N 1.208 121.738 120.500 0.051 0.000 2.115 11 R HA 0.297 4.638 4.340 0.001 0.000 0.230 11 R C 2.274 178.616 176.300 0.071 0.000 1.111 11 R CA 1.504 57.632 56.100 0.047 0.000 0.976 11 R CB -1.528 28.788 30.300 0.027 0.000 0.870 11 R HN 0.718 nan 8.270 nan 0.000 0.445 12 I N 0.318 120.960 120.570 0.120 0.000 2.315 12 I HA -0.193 3.977 4.170 0.001 0.000 0.248 12 I C 2.302 178.484 176.117 0.109 0.000 1.117 12 I CA 1.040 62.431 61.300 0.151 0.000 1.404 12 I CB -0.111 38.066 38.000 0.295 0.000 1.071 12 I HN 0.135 nan 8.210 nan 0.000 0.419 13 V N 0.680 120.683 119.914 0.149 0.000 2.295 13 V HA -0.294 3.826 4.120 0.001 0.000 0.246 13 V C 2.583 178.690 176.094 0.022 0.000 1.049 13 V CA 1.871 64.204 62.300 0.056 0.000 1.024 13 V CB -0.750 31.129 31.823 0.095 0.000 0.648 13 V HN 0.358 nan 8.190 nan 0.000 0.447 14 R N -0.303 120.221 120.500 0.040 0.000 2.096 14 R HA -0.169 4.172 4.340 0.001 0.000 0.235 14 R C 2.100 178.413 176.300 0.021 0.000 1.127 14 R CA 1.832 57.948 56.100 0.026 0.000 0.968 14 R CB -0.305 30.012 30.300 0.029 0.000 0.861 14 R HN 0.552 nan 8.270 nan 0.000 0.440 15 D N -0.479 119.937 120.400 0.026 0.000 2.123 15 D HA -0.096 4.545 4.640 0.001 0.000 0.200 15 D C 1.920 178.225 176.300 0.010 0.000 0.976 15 D CA 0.861 54.877 54.000 0.026 0.000 0.831 15 D CB -0.128 40.692 40.800 0.034 0.000 0.974 15 D HN -0.002 nan 8.370 nan 0.000 0.469 16 V N 1.273 121.174 119.914 -0.021 0.000 2.307 16 V HA -0.203 3.917 4.120 0.001 0.000 0.245 16 V C 2.321 178.381 176.094 -0.057 0.000 1.045 16 V CA 1.546 63.804 62.300 -0.070 0.000 1.024 16 V CB -0.383 31.355 31.823 -0.141 0.000 0.651 16 V HN 0.180 nan 8.190 nan 0.000 0.449 17 E N 0.035 120.211 120.200 -0.041 0.000 2.033 17 E HA -0.273 4.078 4.350 0.001 0.000 0.199 17 E C 2.454 179.057 176.600 0.006 0.000 1.011 17 E CA 1.695 58.084 56.400 -0.018 0.000 0.815 17 E CB -0.226 29.470 29.700 -0.006 0.000 0.755 17 E HN 0.512 nan 8.360 nan 0.000 0.451 18 R N 0.263 120.771 120.500 0.015 0.000 2.148 18 R HA -0.063 4.277 4.340 0.001 0.000 0.227 18 R C 2.441 178.761 176.300 0.034 0.000 1.103 18 R CA 0.643 56.758 56.100 0.024 0.000 0.983 18 R CB -0.161 30.153 30.300 0.023 0.000 0.874 18 R HN 0.198 nan 8.270 nan 0.000 0.451 19 L N 0.136 121.390 121.223 0.051 0.000 2.156 19 L HA -0.097 4.243 4.340 0.001 0.000 0.208 19 L C 2.206 179.128 176.870 0.087 0.000 1.095 19 L CA 0.984 55.896 54.840 0.119 0.000 0.770 19 L CB -0.151 41.998 42.059 0.151 0.000 0.914 19 L HN 0.175 nan 8.230 nan 0.000 0.439 20 I N -0.304 120.271 120.570 0.007 0.000 2.286 20 I HA -0.223 3.947 4.170 0.001 0.000 0.245 20 I C 2.646 178.741 176.117 -0.037 0.000 1.104 20 I CA 1.092 62.345 61.300 -0.079 0.000 1.397 20 I CB -0.265 37.681 38.000 -0.090 0.000 1.072 20 I HN 0.167 nan 8.210 nan 0.000 0.417 21 A N 0.115 122.978 122.820 0.072 0.000 2.066 21 A HA -0.024 4.297 4.320 0.001 0.000 0.218 21 A C 1.393 179.044 177.584 0.112 0.000 1.157 21 A CA 0.306 52.441 52.037 0.164 0.000 0.670 21 A CB -0.544 18.508 19.000 0.087 0.000 0.804 21 A HN 0.181 nan 8.150 nan 0.000 0.453 22 V N 1.499 121.419 119.914 0.011 0.000 2.788 22 V HA 0.021 4.141 4.120 0.001 0.000 0.307 22 V C 0.139 176.178 176.094 -0.091 0.000 1.069 22 V CA -0.258 62.000 62.300 -0.070 0.000 1.173 22 V CB 0.321 32.044 31.823 -0.165 0.000 0.925 22 V HN 0.660 nan 8.190 nan 0.000 0.492 23 E N 5.430 125.545 120.200 -0.141 0.000 2.360 23 E HA 0.334 4.685 4.350 0.001 0.000 0.269 23 E C -0.770 175.537 176.600 -0.488 0.000 1.022 23 E CA 0.007 56.233 56.400 -0.290 0.000 0.887 23 E CB 0.704 30.233 29.700 -0.284 0.000 0.990 23 E HN 0.571 nan 8.360 nan 0.000 0.426 24 K N 2.378 122.388 120.400 -0.649 0.000 2.482 24 K HA 0.399 4.719 4.320 0.001 0.000 0.251 24 K C -1.477 174.748 176.600 -0.626 0.000 0.936 24 K CA -0.577 55.406 56.287 -0.507 0.000 0.791 24 K CB 1.429 33.776 32.500 -0.255 0.000 1.213 24 K HN 0.391 nan 8.250 nan 0.000 0.428 25 Y N 0.141 120.399 120.300 -0.070 0.000 2.499 25 Y HA 0.456 5.006 4.550 0.001 0.000 0.347 25 Y C 0.010 175.868 175.900 -0.070 0.000 0.987 25 Y CA -0.906 57.153 58.100 -0.068 0.000 1.044 25 Y CB 2.539 40.921 38.460 -0.129 0.000 1.245 25 Y HN 0.598 nan 8.280 nan 0.000 0.461 26 S N 2.276 118.044 115.700 0.113 0.000 2.547 26 S HA 0.617 5.088 4.470 0.001 0.000 0.281 26 S C -1.706 172.885 174.600 -0.015 0.000 1.118 26 S CA -0.817 57.395 58.200 0.020 0.000 0.947 26 S CB 1.712 64.915 63.200 0.006 0.000 1.053 26 S HN 0.583 nan 8.310 nan 0.000 0.482 27 L N 2.848 124.022 121.223 -0.081 0.000 2.290 27 L HA 0.524 4.864 4.340 0.001 0.000 0.284 27 L C 0.769 177.555 176.870 -0.141 0.000 1.078 27 L CA 0.311 55.071 54.840 -0.134 0.000 0.815 27 L CB 0.876 42.827 42.059 -0.181 0.000 1.162 27 L HN 0.847 nan 8.230 nan 0.000 0.435 28 Q N 3.828 123.554 119.800 -0.124 0.000 2.431 28 Q HA 0.491 4.831 4.340 0.001 0.000 0.244 28 Q C 0.591 176.509 176.000 -0.136 0.000 0.880 28 Q CA 0.673 56.414 55.803 -0.103 0.000 0.954 28 Q CB 1.246 29.951 28.738 -0.054 0.000 1.105 28 Q HN 0.905 nan 8.270 nan 0.000 0.558 29 G N -0.341 108.351 108.800 -0.180 0.000 2.367 29 G HA2 0.298 4.258 3.960 0.001 0.000 0.272 29 G HA3 0.298 4.258 3.960 0.001 0.000 0.272 29 G C -1.783 172.948 174.900 -0.280 0.000 1.271 29 G CA -0.468 44.470 45.100 -0.269 0.000 0.893 29 G HN -0.093 nan 8.290 nan 0.000 0.485 30 V N 0.769 120.449 119.914 -0.389 0.000 2.540 30 V HA 0.802 4.922 4.120 0.001 0.000 0.302 30 V C 0.512 176.524 176.094 -0.137 0.000 1.035 30 V CA 0.069 62.239 62.300 -0.217 0.000 0.873 30 V CB 0.883 32.647 31.823 -0.099 0.000 0.992 30 V HN 1.682 nan 8.190 nan 0.000 0.428 31 V N 0.646 120.540 119.914 -0.034 0.000 3.069 31 V HA 0.730 4.850 4.120 0.001 0.000 0.312 31 V C 0.319 176.443 176.094 0.050 0.000 1.369 31 V CA -0.548 61.758 62.300 0.010 0.000 1.047 31 V CB 1.356 33.178 31.823 -0.002 0.000 1.098 31 V HN 0.699 nan 8.190 nan 0.000 0.473 32 D N -0.108 120.322 120.400 0.050 0.000 2.782 32 D HA -0.033 4.607 4.640 0.001 0.000 0.231 32 D C 1.172 177.515 176.300 0.072 0.000 1.163 32 D CA 2.643 56.676 54.000 0.056 0.000 0.680 32 D CB -1.189 39.639 40.800 0.047 0.000 1.062 32 D HN 2.123 nan 8.370 nan 0.000 0.425 33 G N 0.113 108.964 108.800 0.085 0.000 5.045 33 G HA2 -0.364 3.596 3.960 0.001 0.000 0.229 33 G HA3 -0.364 3.596 3.960 0.001 0.000 0.229 33 G C 0.437 175.417 174.900 0.133 0.000 1.440 33 G CA 0.465 45.623 45.100 0.097 0.000 0.936 33 G HN 0.607 nan 8.290 nan 0.000 0.690 34 D N 1.189 121.682 120.400 0.154 0.000 3.078 34 D HA 0.376 5.016 4.640 0.001 0.000 0.363 34 D C -0.145 176.388 176.300 0.388 0.000 1.391 34 D CA -0.115 54.035 54.000 0.250 0.000 0.754 34 D CB -0.094 40.799 40.800 0.155 0.000 1.238 34 D HN 0.538 nan 8.370 nan 0.000 0.500 35 K N 0.297 120.845 120.400 0.246 0.000 2.318 35 K HA 0.501 4.822 4.320 0.001 0.000 0.249 35 K C -0.232 176.324 176.600 -0.073 0.000 0.942 35 K CA -0.948 55.426 56.287 0.145 0.000 0.808 35 K CB 2.554 35.098 32.500 0.073 0.000 1.189 35 K HN -0.001 nan 8.250 nan 0.000 0.428 36 L N 2.837 123.864 121.223 -0.327 0.000 2.416 36 L HA 0.193 4.533 4.340 0.001 0.000 0.272 36 L C -0.183 176.594 176.870 -0.154 0.000 1.161 36 L CA -0.639 53.989 54.840 -0.354 0.000 0.845 36 L CB 0.122 41.871 42.059 -0.516 0.000 1.119 36 L HN 0.353 nan 8.230 nan 0.000 0.464 37 L N 4.747 125.889 121.223 -0.135 0.000 2.275 37 L HA 0.570 4.910 4.340 0.001 0.000 0.288 37 L C -0.580 176.251 176.870 -0.066 0.000 1.046 37 L CA 0.027 54.825 54.840 -0.070 0.000 0.805 37 L CB 1.536 43.556 42.059 -0.065 0.000 1.193 37 L HN 0.274 nan 8.230 nan 0.000 0.426 38 V N 5.636 125.552 119.914 0.004 0.000 2.686 38 V HA 0.411 4.532 4.120 0.001 0.000 0.306 38 V C -0.688 175.496 176.094 0.150 0.000 1.065 38 V CA -0.735 61.589 62.300 0.041 0.000 0.894 38 V CB 2.319 34.136 31.823 -0.011 0.000 1.004 38 V HN 0.466 nan 8.190 nan 0.000 0.424 39 V N 4.156 124.147 119.914 0.129 0.000 2.348 39 V HA 0.648 4.769 4.120 0.001 0.000 0.270 39 V C 0.792 177.033 176.094 0.245 0.000 1.037 39 V CA -0.053 62.334 62.300 0.146 0.000 0.872 39 V CB 1.260 33.125 31.823 0.069 0.000 1.002 39 V HN 0.959 nan 8.190 nan 0.000 0.464 40 G N 3.374 112.404 108.800 0.383 0.000 2.416 40 G HA2 0.523 4.484 3.960 0.001 0.000 0.324 40 G HA3 0.523 4.484 3.960 0.001 0.000 0.324 40 G C -0.965 174.027 174.900 0.154 0.000 1.194 40 G CA -0.563 44.716 45.100 0.299 0.000 0.922 40 G HN 0.547 nan 8.290 nan 0.000 0.467 41 F N 3.513 123.383 119.950 -0.132 0.000 2.494 41 F HA 0.528 5.056 4.527 0.001 0.000 0.351 41 F C 0.577 176.277 175.800 -0.166 0.000 1.205 41 F CA -0.049 57.882 58.000 -0.115 0.000 1.125 41 F CB 0.535 39.457 39.000 -0.130 0.000 1.268 41 F HN 0.401 nan 8.300 nan 0.000 0.593 42 S N 4.018 119.496 115.700 -0.370 0.000 2.579 42 S HA 0.363 4.833 4.470 0.001 0.000 0.272 42 S C -0.793 173.650 174.600 -0.262 0.000 1.141 42 S CA -0.741 57.319 58.200 -0.233 0.000 0.843 42 S CB 1.057 64.203 63.200 -0.090 0.000 1.122 42 S HN 0.576 nan 8.310 nan 0.000 0.468 43 E N 1.461 121.559 120.200 -0.169 0.000 2.238 43 E HA -0.241 4.110 4.350 0.001 0.000 0.219 43 E C 0.885 177.348 176.600 -0.229 0.000 1.275 43 E CA 1.233 57.552 56.400 -0.135 0.000 0.714 43 E CB -2.285 27.378 29.700 -0.063 0.000 1.154 43 E HN 1.752 nan 8.360 nan 0.000 0.363 44 G N -0.732 107.851 108.800 -0.361 0.000 2.184 44 G HA2 -0.358 3.603 3.960 0.001 0.000 0.264 44 G HA3 -0.358 3.603 3.960 0.001 0.000 0.264 44 G C 0.271 174.820 174.900 -0.586 0.000 0.975 44 G CA 1.224 46.113 45.100 -0.352 0.000 0.642 44 G HN 1.381 nan 8.290 nan 0.000 0.536 45 S N -2.349 112.823 115.700 -0.880 0.000 2.656 45 S HA 0.691 5.161 4.470 0.001 0.000 0.273 45 S C -0.655 173.622 174.600 -0.538 0.000 1.168 45 S CA -0.338 57.497 58.200 -0.607 0.000 0.817 45 S CB 2.195 65.260 63.200 -0.226 0.000 1.146 45 S HN 1.112 nan 8.310 nan 0.000 0.475 46 V N 2.999 122.833 119.914 -0.134 0.000 2.405 46 V HA 0.394 4.514 4.120 0.001 0.000 0.264 46 V C -0.186 175.859 176.094 -0.081 0.000 1.048 46 V CA -0.219 62.077 62.300 -0.006 0.000 0.966 46 V CB -0.517 31.364 31.823 0.097 0.000 1.015 46 V HN 0.755 nan 8.190 nan 0.000 0.477 47 N N 2.853 121.491 118.700 -0.104 0.000 2.653 47 N HA 0.826 5.566 4.740 0.001 0.000 0.294 47 N C -0.606 174.701 175.510 -0.338 0.000 1.305 47 N CA -0.566 52.318 53.050 -0.275 0.000 0.827 47 N CB 2.446 40.667 38.487 -0.443 0.000 1.415 47 N HN 0.627 nan 8.380 nan 0.000 0.546 48 A N 0.372 122.888 122.820 -0.508 0.000 2.365 48 A HA 0.752 5.073 4.320 0.001 0.000 0.318 48 A C -1.744 175.510 177.584 -0.549 0.000 1.091 48 A CA -0.443 51.389 52.037 -0.342 0.000 0.763 48 A CB 0.679 19.579 19.000 -0.166 0.000 1.248 48 A HN 0.613 nan 8.150 nan 0.000 0.442 49 Y N 0.588 120.888 120.300 0.001 0.000 2.512 49 Y HA 0.561 5.111 4.550 -0.001 0.000 0.348 49 Y C -0.189 175.703 175.900 -0.013 0.000 0.990 49 Y CA -0.761 57.339 58.100 0.000 0.000 1.033 49 Y CB 1.912 40.381 38.460 0.014 0.000 1.259 49 Y HN 0.563 nan 8.280 nan 0.000 0.461 50 L N 2.616 123.933 121.223 0.157 0.000 2.334 50 L HA 0.355 4.695 4.340 0.001 0.000 0.277 50 L C -1.184 175.756 176.870 0.116 0.000 1.075 50 L CA -0.831 54.062 54.840 0.089 0.000 0.804 50 L CB 0.886 42.976 42.059 0.052 0.000 1.174 50 L HN 0.598 nan 8.230 nan 0.000 0.438 51 Y N 1.601 121.839 120.300 -0.102 0.000 2.376 51 Y HA 0.201 4.751 4.550 0.000 0.000 0.326 51 Y C 0.296 176.149 175.900 -0.078 0.000 0.970 51 Y CA -0.681 57.331 58.100 -0.148 0.000 1.248 51 Y CB 1.308 39.590 38.460 -0.298 0.000 1.117 51 Y HN 0.628 nan 8.280 nan 0.000 0.476 52 D N 2.853 123.030 120.400 -0.372 0.000 2.305 52 D HA 0.175 4.815 4.640 0.001 0.000 0.206 52 D C 1.625 177.795 176.300 -0.218 0.000 0.974 52 D CA 1.653 55.554 54.000 -0.166 0.000 0.871 52 D CB 0.392 41.142 40.800 -0.084 0.000 0.947 52 D HN 0.941 nan 8.370 nan 0.000 0.516 53 G N -1.345 106.965 108.800 -0.818 0.000 3.134 53 G HA2 -0.105 3.855 3.960 0.001 0.000 0.195 53 G HA3 -0.105 3.855 3.960 0.001 0.000 0.195 53 G C 0.966 175.650 174.900 -0.359 0.000 1.054 53 G CA 0.229 45.019 45.100 -0.518 0.000 0.828 53 G HN 0.526 nan 8.290 nan 0.000 0.462 54 G N 0.475 109.117 108.800 -0.264 0.000 3.226 54 G HA2 0.585 4.545 3.960 0.001 0.000 0.190 54 G HA3 0.585 4.545 3.960 0.001 0.000 0.190 54 G C 0.506 175.381 174.900 -0.042 0.000 1.988 54 G CA 1.595 46.639 45.100 -0.093 0.000 0.859 54 G HN 1.235 nan 8.290 nan 0.000 0.631 55 E N -0.150 120.032 120.200 -0.029 0.000 2.345 55 E HA 0.531 4.882 4.350 0.001 0.000 0.259 55 E C 0.426 177.036 176.600 0.017 0.000 1.117 55 E CA -0.106 56.298 56.400 0.006 0.000 0.913 55 E CB -0.039 29.663 29.700 0.003 0.000 1.057 55 E HN 0.826 nan 8.360 nan 0.000 0.432 56 T N -1.812 112.759 114.554 0.028 0.000 2.889 56 T HA 0.518 4.869 4.350 0.001 0.000 0.291 56 T C -0.045 174.725 174.700 0.117 0.000 0.995 56 T CA -0.606 61.529 62.100 0.059 0.000 1.092 56 T CB 1.004 69.811 68.868 -0.101 0.000 0.954 56 T HN 0.442 nan 8.240 nan 0.000 0.506 57 V N 3.423 123.432 119.914 0.158 0.000 2.370 57 V HA 0.382 4.503 4.120 0.001 0.000 0.283 57 V C 0.543 176.761 176.094 0.207 0.000 1.023 57 V CA -1.007 61.379 62.300 0.142 0.000 0.857 57 V CB 1.214 33.081 31.823 0.072 0.000 0.985 57 V HN 0.949 nan 8.190 nan 0.000 0.443 58 K N 3.837 124.345 120.400 0.180 0.000 2.349 58 K HA 0.319 4.640 4.320 0.001 0.000 0.288 58 K C 0.446 176.990 176.600 -0.094 0.000 1.058 58 K CA -0.276 55.989 56.287 -0.036 0.000 0.953 58 K CB 0.793 33.279 32.500 -0.023 0.000 0.997 58 K HN 0.635 nan 8.250 nan 0.000 0.477 59 L N 3.130 124.251 121.223 -0.170 0.000 2.202 59 L HA -0.061 4.280 4.340 0.001 0.000 0.205 59 L C 1.192 177.992 176.870 -0.117 0.000 1.083 59 L CA 0.284 55.060 54.840 -0.107 0.000 0.790 59 L CB -0.281 41.721 42.059 -0.095 0.000 0.942 59 L HN 0.719 nan 8.230 nan 0.000 0.452 60 N N -0.632 117.962 118.700 -0.177 0.000 2.458 60 N HA 0.180 4.921 4.740 0.001 0.000 0.271 60 N C 0.298 175.715 175.510 -0.156 0.000 1.210 60 N CA -0.522 52.428 53.050 -0.168 0.000 0.978 60 N CB 1.553 39.920 38.487 -0.199 0.000 1.206 60 N HN -0.026 nan 8.380 nan 0.000 0.536 61 R N -0.321 120.084 120.500 -0.158 0.000 1.950 61 R HA 0.175 4.516 4.340 0.001 0.000 0.200 61 R C 0.218 176.433 176.300 -0.141 0.000 1.476 61 R CA 0.083 56.104 56.100 -0.131 0.000 1.145 61 R CB -0.363 29.864 30.300 -0.122 0.000 0.942 61 R HN 0.652 nan 8.270 nan 0.000 0.484 62 E N 1.465 121.565 120.200 -0.166 0.000 2.369 62 E HA 0.219 4.570 4.350 0.001 0.000 0.255 62 E C -2.245 174.262 176.600 -0.155 0.000 1.172 62 E CA -1.883 54.429 56.400 -0.147 0.000 0.932 62 E CB 0.006 29.616 29.700 -0.149 0.000 1.040 62 E HN 0.035 nan 8.360 nan 0.000 0.454 63 P HA 0.010 nan 4.420 nan 0.000 0.266 63 P C -0.399 176.845 177.300 -0.093 0.000 1.193 63 P CA 0.568 63.608 63.100 -0.101 0.000 0.770 63 P CB 0.264 31.927 31.700 -0.062 0.000 0.836 64 I N -1.088 119.438 120.570 -0.073 0.000 3.023 64 I HA 0.465 4.635 4.170 0.001 0.000 0.312 64 I C 0.936 177.062 176.117 0.016 0.000 1.056 64 I CA -0.879 60.395 61.300 -0.043 0.000 1.033 64 I CB 2.124 40.084 38.000 -0.067 0.000 1.233 64 I HN 0.205 nan 8.210 nan 0.000 0.462 65 N N 1.092 119.819 118.700 0.046 0.000 2.305 65 N HA -0.004 4.736 4.740 0.001 0.000 0.179 65 N C 0.263 175.792 175.510 0.032 0.000 1.019 65 N CA 1.191 54.281 53.050 0.066 0.000 0.869 65 N CB 0.498 39.044 38.487 0.099 0.000 1.000 65 N HN 0.907 nan 8.380 nan 0.000 0.431 66 S N -0.855 114.846 115.700 0.002 0.000 2.724 66 S HA 0.500 4.971 4.470 0.001 0.000 0.278 66 S C -0.868 173.728 174.600 -0.006 0.000 1.190 66 S CA -0.579 57.621 58.200 0.001 0.000 0.860 66 S CB 1.487 64.688 63.200 0.002 0.000 1.206 66 S HN 0.133 nan 8.310 nan 0.000 0.507 67 V N -1.163 118.753 119.914 0.004 0.000 3.040 67 V HA 0.729 4.849 4.120 0.001 0.000 0.312 67 V C -0.708 175.402 176.094 0.026 0.000 1.115 67 V CA -1.231 61.074 62.300 0.008 0.000 0.998 67 V CB 1.252 33.074 31.823 -0.001 0.000 1.042 67 V HN 0.989 nan 8.190 nan 0.000 0.433 68 L N 1.791 123.035 121.223 0.035 0.000 2.397 68 L HA 0.385 4.725 4.340 0.001 0.000 0.271 68 L C -0.064 176.846 176.870 0.066 0.000 1.148 68 L CA -0.410 54.469 54.840 0.066 0.000 0.825 68 L CB 0.430 42.535 42.059 0.077 0.000 1.117 68 L HN 0.685 nan 8.230 nan 0.000 0.456 69 D N 3.929 124.383 120.400 0.091 0.000 2.451 69 D HA 0.085 4.725 4.640 0.001 0.000 0.254 69 D C -2.151 174.199 176.300 0.083 0.000 1.204 69 D CA -0.632 53.419 54.000 0.084 0.000 0.896 69 D CB 0.318 41.196 40.800 0.129 0.000 1.136 69 D HN 0.228 nan 8.370 nan 0.000 0.499 70 P HA 0.130 nan 4.420 nan 0.000 0.288 70 P C -0.400 176.945 177.300 0.074 0.000 1.267 70 P CA -0.509 62.623 63.100 0.054 0.000 0.815 70 P CB 0.773 32.473 31.700 0.000 0.000 0.989 71 H N 2.364 121.467 119.070 0.055 0.000 2.871 71 H HA 0.044 4.601 4.556 0.001 0.000 0.355 71 H C -0.366 175.017 175.328 0.092 0.000 1.092 71 H CA 0.471 56.584 56.048 0.107 0.000 1.420 71 H CB -0.178 29.655 29.762 0.119 0.000 1.400 71 H HN 0.274 nan 8.280 nan 0.000 0.604 72 Y N 3.261 123.330 120.300 -0.384 0.000 2.865 72 Y HA 0.004 4.555 4.550 0.001 0.000 0.338 72 Y C 1.807 177.642 175.900 -0.108 0.000 1.269 72 Y CA 1.809 59.780 58.100 -0.215 0.000 1.585 72 Y CB 0.120 38.441 38.460 -0.233 0.000 1.224 72 Y HN 0.995 nan 8.280 nan 0.000 0.554 73 G N 1.417 110.274 108.800 0.094 0.000 2.199 73 G HA2 -0.293 3.668 3.960 0.001 0.000 0.254 73 G HA3 -0.293 3.668 3.960 0.001 0.000 0.254 73 G C 0.040 175.007 174.900 0.112 0.000 0.982 73 G CA -0.093 45.079 45.100 0.120 0.000 0.632 73 G HN 1.114 nan 8.290 nan 0.000 0.529 74 V N -0.581 119.409 119.914 0.126 0.000 2.788 74 V HA 0.542 4.662 4.120 0.001 0.000 0.307 74 V C 1.420 177.562 176.094 0.080 0.000 1.069 74 V CA 0.795 63.168 62.300 0.123 0.000 1.173 74 V CB 1.254 33.159 31.823 0.137 0.000 0.925 74 V HN 1.297 nan 8.190 nan 0.000 0.492 75 G N 5.226 114.069 108.800 0.071 0.000 3.424 75 G HA2 0.432 4.393 3.960 0.001 0.000 0.263 75 G HA3 0.432 4.393 3.960 0.001 0.000 0.263 75 G C 0.417 175.345 174.900 0.045 0.000 1.310 75 G CA -0.122 45.010 45.100 0.054 0.000 1.089 75 G HN 1.157 nan 8.290 nan 0.000 0.534 76 R N -2.337 118.191 120.500 0.046 0.000 2.747 76 R HA 0.700 5.040 4.340 0.001 0.000 0.272 76 R C -2.227 174.094 176.300 0.035 0.000 1.032 76 R CA -0.730 55.393 56.100 0.038 0.000 0.896 76 R CB 1.253 31.578 30.300 0.041 0.000 1.253 76 R HN -0.106 nan 8.270 nan 0.000 0.461 77 V N 1.632 121.563 119.914 0.028 0.000 2.789 77 V HA 0.478 4.599 4.120 0.001 0.000 0.311 77 V C -0.742 175.370 176.094 0.030 0.000 1.073 77 V CA -1.005 61.309 62.300 0.023 0.000 0.921 77 V CB 2.164 33.990 31.823 0.005 0.000 1.009 77 V HN 0.553 nan 8.190 nan 0.000 0.426 78 I N 5.115 125.704 120.570 0.032 0.000 2.328 78 I HA 0.422 4.592 4.170 0.001 0.000 0.287 78 I C -0.082 176.054 176.117 0.033 0.000 1.012 78 I CA -0.433 60.887 61.300 0.033 0.000 1.195 78 I CB 1.083 39.095 38.000 0.020 0.000 1.350 78 I HN 0.398 nan 8.210 nan 0.000 0.464 79 L N 6.289 127.551 121.223 0.064 0.000 2.371 79 L HA 0.511 4.851 4.340 0.001 0.000 0.272 79 L C -0.006 176.926 176.870 0.103 0.000 1.124 79 L CA -0.794 54.083 54.840 0.062 0.000 0.816 79 L CB 1.039 43.123 42.059 0.040 0.000 1.129 79 L HN 0.189 nan 8.230 nan 0.000 0.448 80 V N 3.186 123.129 119.914 0.047 0.000 2.384 80 V HA 0.525 4.646 4.120 0.001 0.000 0.287 80 V C -0.071 176.078 176.094 0.090 0.000 1.020 80 V CA -0.561 61.755 62.300 0.027 0.000 0.850 80 V CB 1.390 33.139 31.823 -0.123 0.000 0.987 80 V HN 0.750 nan 8.190 nan 0.000 0.436 81 R N 2.788 123.428 120.500 0.232 0.000 2.574 81 R HA 0.327 4.668 4.340 0.001 0.000 0.288 81 R C -1.154 175.345 176.300 0.332 0.000 1.004 81 R CA -0.679 55.556 56.100 0.226 0.000 0.895 81 R CB 1.686 32.026 30.300 0.066 0.000 1.191 81 R HN 0.735 nan 8.270 nan 0.000 0.444 82 D N 4.151 124.731 120.400 0.301 0.000 2.363 82 D HA 0.008 4.649 4.640 0.001 0.000 0.263 82 D C 0.826 177.185 176.300 0.098 0.000 1.258 82 D CA 0.118 54.204 54.000 0.143 0.000 0.907 82 D CB 1.347 42.199 40.800 0.085 0.000 1.107 82 D HN 0.402 nan 8.370 nan 0.000 0.495 83 V N 1.859 121.826 119.914 0.088 0.000 3.249 83 V HA 0.192 4.312 4.120 0.001 0.000 0.338 83 V C 0.799 176.914 176.094 0.036 0.000 1.363 83 V CA 0.386 62.737 62.300 0.085 0.000 1.205 83 V CB -0.440 31.460 31.823 0.129 0.000 1.164 83 V HN 0.472 nan 8.190 nan 0.000 0.458 84 S N -0.850 114.855 115.700 0.009 0.000 2.809 84 S HA 0.344 4.815 4.470 0.001 0.000 0.248 84 S C 0.443 175.044 174.600 0.000 0.000 1.071 84 S CA -0.451 57.746 58.200 -0.004 0.000 1.059 84 S CB -0.340 62.843 63.200 -0.029 0.000 0.923 84 S HN 0.563 nan 8.310 nan 0.000 0.516 85 K N 0.746 121.153 120.400 0.012 0.000 3.012 85 K HA -0.231 4.090 4.320 0.001 0.000 0.259 85 K C 1.007 177.620 176.600 0.022 0.000 0.989 85 K CA 0.676 56.974 56.287 0.018 0.000 0.728 85 K CB -2.001 30.509 32.500 0.016 0.000 1.260 85 K HN 1.216 nan 8.250 nan 0.000 0.480 86 G N -1.692 107.121 108.800 0.021 0.000 2.231 86 G HA2 -0.252 3.708 3.960 0.001 0.000 0.206 86 G HA3 -0.252 3.708 3.960 0.001 0.000 0.206 86 G C 0.715 175.628 174.900 0.021 0.000 0.996 86 G CA 0.256 45.378 45.100 0.036 0.000 0.645 86 G HN 0.626 nan 8.290 nan 0.000 0.498 87 A N 0.682 123.496 122.820 -0.010 0.000 2.235 87 A HA 0.480 4.801 4.320 0.001 0.000 0.208 87 A C 1.253 178.792 177.584 -0.075 0.000 1.172 87 A CA 1.758 53.778 52.037 -0.029 0.000 0.786 87 A CB -0.552 18.431 19.000 -0.029 0.000 0.804 87 A HN 1.309 nan 8.150 nan 0.000 0.479 88 E N -0.551 119.560 120.200 -0.148 0.000 2.476 88 E HA -0.166 4.184 4.350 0.001 0.000 0.251 88 E C -0.919 175.384 176.600 -0.495 0.000 1.130 88 E CA 0.395 56.542 56.400 -0.422 0.000 0.736 88 E CB -1.409 28.204 29.700 -0.145 0.000 1.298 88 E HN 0.650 nan 8.360 nan 0.000 0.400 89 Q N 0.863 120.487 119.800 -0.293 0.000 2.389 89 Q HA 0.230 4.571 4.340 0.001 0.000 0.244 89 Q C -0.320 175.574 176.000 -0.176 0.000 1.056 89 Q CA 0.330 56.028 55.803 -0.174 0.000 0.908 89 Q CB 0.325 29.021 28.738 -0.069 0.000 1.273 89 Q HN 0.346 nan 8.270 nan 0.000 0.471 90 H N 0.098 119.196 119.070 0.046 0.000 2.481 90 H HA 0.634 5.190 4.556 0.000 0.000 0.339 90 H C -0.237 175.087 175.328 -0.007 0.000 1.131 90 H CA -0.488 55.588 56.048 0.046 0.000 1.301 90 H CB 1.342 31.132 29.762 0.047 0.000 1.476 90 H HN 0.669 nan 8.280 nan 0.000 0.529 91 A N 2.689 125.605 122.820 0.160 0.000 2.330 91 A HA 0.617 4.937 4.320 0.001 0.000 0.329 91 A C -0.856 176.679 177.584 -0.083 0.000 1.135 91 A CA -0.796 51.203 52.037 -0.064 0.000 0.817 91 A CB 0.818 19.698 19.000 -0.200 0.000 1.269 91 A HN 0.608 nan 8.150 nan 0.000 0.469 92 L N 0.475 121.505 121.223 -0.322 0.000 2.322 92 L HA 0.624 4.965 4.340 0.001 0.000 0.279 92 L C -1.362 175.256 176.870 -0.419 0.000 1.036 92 L CA -0.211 54.486 54.840 -0.238 0.000 0.807 92 L CB 1.204 43.076 42.059 -0.311 0.000 1.226 92 L HN 0.624 nan 8.230 nan 0.000 0.433 93 F N 1.347 121.255 119.950 -0.069 0.000 2.539 93 F HA 0.395 4.923 4.527 0.003 0.000 0.318 93 F C -0.149 175.626 175.800 -0.041 0.000 1.135 93 F CA -0.942 57.030 58.000 -0.047 0.000 0.915 93 F CB 1.838 40.815 39.000 -0.039 0.000 1.176 93 F HN 0.328 nan 8.300 nan 0.000 0.440 94 K N 2.099 122.564 120.400 0.108 0.000 2.156 94 K HA 0.823 5.143 4.320 0.001 0.000 0.271 94 K C -1.437 175.206 176.600 0.072 0.000 0.995 94 K CA -0.710 55.618 56.287 0.068 0.000 0.890 94 K CB 2.006 34.526 32.500 0.034 0.000 1.073 94 K HN 0.413 nan 8.250 nan 0.000 0.454 95 V N 2.601 122.545 119.914 0.049 0.000 2.487 95 V HA 0.126 4.247 4.120 0.001 0.000 0.298 95 V C -0.407 175.703 176.094 0.026 0.000 1.028 95 V CA -1.114 61.205 62.300 0.032 0.000 0.860 95 V CB 1.354 33.184 31.823 0.011 0.000 0.991 95 V HN 0.885 nan 8.190 nan 0.000 0.427 96 N N 3.130 121.845 118.700 0.025 0.000 2.468 96 N HA 0.013 4.753 4.740 0.001 0.000 0.265 96 N C 1.434 176.956 175.510 0.020 0.000 1.199 96 N CA 0.722 53.787 53.050 0.025 0.000 0.928 96 N CB 1.734 40.235 38.487 0.024 0.000 1.059 96 N HN 0.850 nan 8.380 nan 0.000 0.467 97 T N 0.202 114.770 114.554 0.023 0.000 2.881 97 T HA -0.100 4.251 4.350 0.001 0.000 0.270 97 T C 1.540 176.253 174.700 0.021 0.000 1.068 97 T CA 1.249 63.361 62.100 0.021 0.000 1.131 97 T CB -0.248 68.636 68.868 0.026 0.000 0.871 97 T HN 0.393 nan 8.240 nan 0.000 0.479 98 S N 1.242 116.956 115.700 0.022 0.000 2.481 98 S HA 0.110 4.580 4.470 0.001 0.000 0.231 98 S C 1.096 175.706 174.600 0.016 0.000 0.996 98 S CA 0.318 58.530 58.200 0.020 0.000 0.942 98 S CB -0.105 63.108 63.200 0.021 0.000 0.768 98 S HN 0.495 nan 8.310 nan 0.000 0.520 99 R N 1.534 122.043 120.500 0.015 0.000 2.564 99 R HA 0.279 4.619 4.340 0.001 0.000 0.282 99 R C -3.158 173.146 176.300 0.006 0.000 1.573 99 R CA -1.681 54.426 56.100 0.011 0.000 1.588 99 R CB 1.005 31.313 30.300 0.012 0.000 1.154 99 R HN 0.167 nan 8.270 nan 0.000 0.606 100 P HA 0.064 nan 4.420 nan 0.000 0.271 100 P C 0.784 178.076 177.300 -0.013 0.000 1.216 100 P CA 0.554 63.651 63.100 -0.006 0.000 0.776 100 P CB 0.906 32.606 31.700 0.000 0.000 0.881 101 G N 1.068 109.851 108.800 -0.028 0.000 2.159 101 G HA2 -0.249 3.712 3.960 0.001 0.000 0.256 101 G HA3 -0.249 3.712 3.960 0.001 0.000 0.256 101 G C -0.118 174.767 174.900 -0.025 0.000 0.977 101 G CA -0.219 44.860 45.100 -0.036 0.000 0.652 101 G HN 0.582 nan 8.290 nan 0.000 0.531 102 E N 0.737 120.931 120.200 -0.010 0.000 2.141 102 E HA 0.422 4.773 4.350 0.001 0.000 0.259 102 E C -0.341 176.272 176.600 0.021 0.000 0.883 102 E CA -0.356 56.047 56.400 0.005 0.000 0.744 102 E CB 0.952 30.658 29.700 0.010 0.000 1.150 102 E HN 0.536 nan 8.360 nan 0.000 0.420 103 E N 2.308 122.530 120.200 0.035 0.000 2.204 103 E HA 0.220 4.570 4.350 0.001 0.000 0.276 103 E C -0.683 175.997 176.600 0.135 0.000 0.974 103 E CA -0.596 55.859 56.400 0.092 0.000 0.815 103 E CB 1.902 31.650 29.700 0.079 0.000 1.119 103 E HN 0.265 nan 8.360 nan 0.000 0.393 104 Q N 2.981 122.869 119.800 0.145 0.000 2.363 104 Q HA 0.209 4.550 4.340 0.001 0.000 0.265 104 Q C -0.920 175.111 176.000 0.053 0.000 1.032 104 Q CA -0.692 55.165 55.803 0.090 0.000 0.746 104 Q CB 1.095 29.858 28.738 0.042 0.000 1.237 104 Q HN 0.370 nan 8.270 nan 0.000 0.475 105 R N 3.982 124.478 120.500 -0.007 0.000 2.484 105 R HA 0.079 4.420 4.340 0.001 0.000 0.293 105 R C -0.642 175.494 176.300 -0.272 0.000 1.023 105 R CA 0.063 55.931 56.100 -0.387 0.000 1.037 105 R CB 0.351 30.420 30.300 -0.385 0.000 0.951 105 R HN 0.640 nan 8.270 nan 0.000 0.418 106 L N 6.199 127.221 121.223 -0.334 0.000 2.401 106 L HA 0.074 4.414 4.340 0.001 0.000 0.283 106 L C 1.054 177.805 176.870 -0.198 0.000 1.151 106 L CA -0.180 54.537 54.840 -0.204 0.000 0.942 106 L CB 0.719 42.668 42.059 -0.184 0.000 1.283 106 L HN 0.740 nan 8.230 nan 0.000 0.442 107 E N 2.137 122.252 120.200 -0.140 0.000 2.268 107 E HA -0.153 4.197 4.350 0.001 0.000 0.195 107 E C 2.014 178.564 176.600 -0.082 0.000 0.995 107 E CA 1.041 57.372 56.400 -0.114 0.000 0.836 107 E CB 0.246 29.901 29.700 -0.075 0.000 0.763 107 E HN 0.771 nan 8.360 nan 0.000 0.491 108 A N 1.377 124.161 122.820 -0.061 0.000 2.070 108 A HA -0.046 4.274 4.320 0.001 0.000 0.220 108 A C 1.422 178.985 177.584 -0.035 0.000 1.159 108 A CA 0.541 52.560 52.037 -0.031 0.000 0.656 108 A CB -0.007 18.991 19.000 -0.003 0.000 0.800 108 A HN 0.047 nan 8.150 nan 0.000 0.453 109 V N 2.709 122.578 119.914 -0.075 0.000 2.318 109 V HA 0.156 4.276 4.120 0.001 0.000 0.271 109 V C 0.389 176.410 176.094 -0.123 0.000 1.030 109 V CA -0.996 61.245 62.300 -0.099 0.000 0.844 109 V CB 0.557 32.274 31.823 -0.176 0.000 1.015 109 V HN 0.603 nan 8.190 nan 0.000 0.460 110 K N 5.000 125.346 120.400 -0.090 0.000 2.380 110 K HA 0.246 4.566 4.320 0.001 0.000 0.267 110 K C -2.601 173.955 176.600 -0.073 0.000 0.990 110 K CA -1.301 54.944 56.287 -0.071 0.000 0.946 110 K CB -0.092 32.382 32.500 -0.043 0.000 0.937 110 K HN 0.282 nan 8.250 nan 0.000 0.491 111 P HA -0.064 nan 4.420 nan 0.000 0.262 111 P C -0.634 176.660 177.300 -0.010 0.000 1.182 111 P CA 0.501 63.583 63.100 -0.030 0.000 0.761 111 P CB 0.403 32.091 31.700 -0.020 0.000 0.795 112 M N 0.109 119.722 119.600 0.021 0.000 2.773 112 M HA 0.450 4.931 4.480 0.001 0.000 0.270 112 M C -0.855 175.527 176.300 0.136 0.000 1.238 112 M CA -1.230 54.105 55.300 0.059 0.000 0.832 112 M CB 2.251 34.893 32.600 0.069 0.000 1.672 112 M HN -0.088 nan 8.290 nan 0.000 0.480 113 R N 2.114 122.709 120.500 0.158 0.000 2.357 113 R HA 0.310 4.651 4.340 0.001 0.000 0.330 113 R C -0.905 175.612 176.300 0.361 0.000 1.102 113 R CA -0.291 55.984 56.100 0.292 0.000 0.974 113 R CB 0.065 30.509 30.300 0.240 0.000 1.002 113 R HN 0.621 nan 8.270 nan 0.000 0.463 114 I N 7.162 128.024 120.570 0.486 0.000 2.452 114 I HA -0.070 4.100 4.170 0.001 0.000 0.287 114 I C 1.305 177.559 176.117 0.229 0.000 1.079 114 I CA 0.263 61.711 61.300 0.246 0.000 1.387 114 I CB 1.118 39.128 38.000 0.017 0.000 1.404 114 I HN 0.767 nan 8.210 nan 0.000 0.522 115 L N 4.908 126.295 121.223 0.272 0.000 2.298 115 L HA 0.067 4.408 4.340 0.001 0.000 0.209 115 L C 0.736 177.851 176.870 0.409 0.000 1.084 115 L CA 0.447 55.485 54.840 0.329 0.000 0.816 115 L CB -0.075 42.084 42.059 0.167 0.000 0.967 115 L HN 0.826 nan 8.230 nan 0.000 0.460 116 S N -1.605 114.301 115.700 0.343 0.000 2.627 116 S HA 0.729 5.199 4.470 0.001 0.000 0.268 116 S C -0.729 174.062 174.600 0.318 0.000 1.130 116 S CA -0.191 58.221 58.200 0.352 0.000 0.819 116 S CB 1.649 65.134 63.200 0.475 0.000 1.100 116 S HN 0.156 nan 8.310 nan 0.000 0.465 117 G N -0.443 108.520 108.800 0.272 0.000 2.489 117 G HA2 0.575 4.536 3.960 0.001 0.000 0.291 117 G HA3 0.575 4.536 3.960 0.001 0.000 0.291 117 G C -2.052 172.977 174.900 0.215 0.000 1.487 117 G CA -0.188 45.082 45.100 0.283 0.000 0.795 117 G HN 1.356 nan 8.290 nan 0.000 0.513 118 V N 0.162 120.204 119.914 0.214 0.000 2.962 118 V HA 0.703 4.824 4.120 0.001 0.000 0.313 118 V C -1.352 174.840 176.094 0.164 0.000 1.099 118 V CA -0.644 61.760 62.300 0.174 0.000 0.971 118 V CB 2.298 34.223 31.823 0.169 0.000 1.028 118 V HN 0.848 nan 8.190 nan 0.000 0.430 119 D N 1.126 121.610 120.400 0.140 0.000 2.471 119 D HA 0.325 4.966 4.640 0.001 0.000 0.245 119 D C 1.006 177.383 176.300 0.129 0.000 1.116 119 D CA 0.132 54.207 54.000 0.124 0.000 0.853 119 D CB 2.044 42.906 40.800 0.102 0.000 1.123 119 D HN 0.675 nan 8.370 nan 0.000 0.540 120 T N 0.826 115.434 114.554 0.090 0.000 3.035 120 T HA 0.234 4.584 4.350 0.001 0.000 0.268 120 T C 1.532 176.238 174.700 0.011 0.000 1.109 120 T CA 0.994 63.103 62.100 0.016 0.000 1.119 120 T CB 0.028 68.868 68.868 -0.048 0.000 0.900 120 T HN 0.676 nan 8.240 nan 0.000 0.503 121 G N 1.184 110.020 108.800 0.060 0.000 2.345 121 G HA2 -0.241 3.719 3.960 0.001 0.000 0.218 121 G HA3 -0.241 3.719 3.960 0.001 0.000 0.218 121 G C 0.966 175.891 174.900 0.041 0.000 1.058 121 G CA 0.301 45.437 45.100 0.061 0.000 0.632 121 G HN 0.528 nan 8.290 nan 0.000 0.508 122 E N 0.390 120.603 120.200 0.022 0.000 2.340 122 E HA 0.508 4.858 4.350 0.001 0.000 0.198 122 E C 1.062 177.684 176.600 0.037 0.000 0.961 122 E CA 0.921 57.335 56.400 0.023 0.000 0.905 122 E CB 0.949 30.653 29.700 0.007 0.000 0.884 122 E HN 1.035 nan 8.360 nan 0.000 0.491 123 A N 1.269 124.117 122.820 0.047 0.000 2.393 123 A HA 0.527 4.847 4.320 0.001 0.000 0.306 123 A C -0.710 176.938 177.584 0.106 0.000 1.050 123 A CA -0.575 51.505 52.037 0.072 0.000 0.724 123 A CB 1.866 20.902 19.000 0.061 0.000 1.248 123 A HN -0.037 nan 8.150 nan 0.000 0.424 124 V N 2.856 122.859 119.914 0.149 0.000 2.333 124 V HA 0.391 4.512 4.120 0.001 0.000 0.274 124 V C -0.373 175.922 176.094 0.335 0.000 1.028 124 V CA -0.339 62.089 62.300 0.212 0.000 0.851 124 V CB 1.108 33.041 31.823 0.183 0.000 1.000 124 V HN 0.615 nan 8.190 nan 0.000 0.456 125 V N 7.305 127.399 119.914 0.301 0.000 2.384 125 V HA 0.661 4.781 4.120 0.001 0.000 0.287 125 V C -0.424 175.879 176.094 0.349 0.000 1.020 125 V CA -0.482 61.964 62.300 0.242 0.000 0.850 125 V CB 1.024 32.938 31.823 0.152 0.000 0.987 125 V HN 0.790 nan 8.190 nan 0.000 0.436 126 F N 1.648 121.710 119.950 0.185 0.000 2.645 126 F HA 0.868 5.396 4.527 0.002 0.000 0.310 126 F C -0.123 175.831 175.800 0.257 0.000 1.102 126 F CA -0.894 57.224 58.000 0.198 0.000 0.952 126 F CB 1.706 40.795 39.000 0.149 0.000 1.326 126 F HN 0.402 nan 8.300 nan 0.000 0.456 127 T N -0.684 114.081 114.554 0.351 0.000 2.859 127 T HA 0.872 5.223 4.350 0.001 0.000 0.281 127 T C -0.257 174.669 174.700 0.377 0.000 1.005 127 T CA -0.368 61.880 62.100 0.246 0.000 1.025 127 T CB 1.377 70.323 68.868 0.130 0.000 0.977 127 T HN 1.327 nan 8.240 nan 0.000 0.458 128 G N -0.044 108.982 108.800 0.376 0.000 2.690 128 G HA2 0.716 4.677 3.960 0.001 0.000 0.291 128 G HA3 0.716 4.677 3.960 0.001 0.000 0.291 128 G C -1.494 173.525 174.900 0.199 0.000 1.403 128 G CA -0.852 44.449 45.100 0.334 0.000 0.864 128 G HN 1.068 nan 8.290 nan 0.000 0.480 129 A N 0.397 123.289 122.820 0.120 0.000 2.318 129 A HA 0.895 5.215 4.320 0.001 0.000 0.324 129 A C 0.446 178.066 177.584 0.060 0.000 1.170 129 A CA 0.075 52.124 52.037 0.020 0.000 0.810 129 A CB 1.116 20.064 19.000 -0.087 0.000 1.198 129 A HN 1.528 nan 8.150 nan 0.000 0.484 130 T N -1.237 113.341 114.554 0.041 0.000 2.804 130 T HA 0.448 4.799 4.350 0.001 0.000 0.272 130 T C 0.787 175.491 174.700 0.006 0.000 0.986 130 T CA -0.335 61.787 62.100 0.036 0.000 0.999 130 T CB 0.851 69.750 68.868 0.052 0.000 1.307 130 T HN 0.488 nan 8.240 nan 0.000 0.586 131 E N 0.873 121.074 120.200 0.003 0.000 2.085 131 E HA -0.183 4.168 4.350 0.001 0.000 0.194 131 E C 1.426 178.011 176.600 -0.025 0.000 0.994 131 E CA 2.024 58.416 56.400 -0.013 0.000 0.801 131 E CB -0.120 29.574 29.700 -0.010 0.000 0.743 131 E HN 0.818 nan 8.360 nan 0.000 0.453 132 D N -0.866 119.523 120.400 -0.019 0.000 2.379 132 D HA -0.030 4.611 4.640 0.001 0.000 0.208 132 D C 0.663 176.938 176.300 -0.042 0.000 1.065 132 D CA 0.046 54.029 54.000 -0.027 0.000 0.848 132 D CB 0.166 40.955 40.800 -0.018 0.000 0.949 132 D HN 0.109 nan 8.370 nan 0.000 0.509 133 R N -1.426 119.048 120.500 -0.044 0.000 2.709 133 R HA 0.533 4.873 4.340 0.001 0.000 0.270 133 R C -2.055 174.195 176.300 -0.083 0.000 1.038 133 R CA -0.960 55.096 56.100 -0.073 0.000 0.872 133 R CB 0.837 31.091 30.300 -0.076 0.000 1.259 133 R HN -0.170 nan 8.270 nan 0.000 0.473 134 V N 1.023 120.856 119.914 -0.134 0.000 2.398 134 V HA 0.789 4.909 4.120 0.001 0.000 0.286 134 V C -0.088 175.895 176.094 -0.186 0.000 1.026 134 V CA -0.253 61.958 62.300 -0.148 0.000 0.868 134 V CB 0.967 32.667 31.823 -0.204 0.000 0.982 134 V HN 0.931 nan 8.190 nan 0.000 0.443 135 A N 4.574 127.281 122.820 -0.189 0.000 2.469 135 A HA 0.920 5.240 4.320 0.001 0.000 0.299 135 A C -1.320 175.967 177.584 -0.495 0.000 1.098 135 A CA -0.700 51.070 52.037 -0.445 0.000 0.737 135 A CB 1.747 20.308 19.000 -0.733 0.000 1.312 135 A HN 0.809 nan 8.150 nan 0.000 0.414 136 L N 1.117 122.001 121.223 -0.564 0.000 2.282 136 L HA 0.730 5.070 4.340 0.001 0.000 0.288 136 L C -1.572 174.926 176.870 -0.620 0.000 1.033 136 L CA -0.074 54.518 54.840 -0.413 0.000 0.807 136 L CB 0.393 42.308 42.059 -0.240 0.000 1.209 136 L HN 0.609 nan 8.230 nan 0.000 0.423 137 Y N 3.471 123.486 120.300 -0.474 0.000 2.524 137 Y HA 0.820 5.371 4.550 0.001 0.000 0.344 137 Y C 0.020 175.630 175.900 -0.483 0.000 1.012 137 Y CA -0.742 56.997 58.100 -0.601 0.000 1.068 137 Y CB 2.190 39.934 38.460 -1.194 0.000 1.249 137 Y HN 0.706 nan 8.280 nan 0.000 0.468 138 A N 2.487 125.261 122.820 -0.075 0.000 2.359 138 A HA 0.692 5.012 4.320 0.001 0.000 0.303 138 A C -2.157 175.485 177.584 0.096 0.000 1.066 138 A CA -0.566 51.484 52.037 0.021 0.000 0.730 138 A CB 1.086 20.099 19.000 0.021 0.000 1.211 138 A HN 0.630 nan 8.150 nan 0.000 0.439 139 L N 3.471 124.800 121.223 0.175 0.000 2.316 139 L HA 0.709 5.050 4.340 0.001 0.000 0.280 139 L C -0.722 176.216 176.870 0.113 0.000 1.006 139 L CA -0.231 54.710 54.840 0.167 0.000 0.836 139 L CB 1.008 43.214 42.059 0.245 0.000 1.221 139 L HN 0.848 nan 8.230 nan 0.000 0.418 140 D N 2.406 122.852 120.400 0.076 0.000 2.712 140 D HA 0.455 5.095 4.640 0.001 0.000 0.252 140 D C 0.986 177.312 176.300 0.043 0.000 1.123 140 D CA -0.093 53.941 54.000 0.055 0.000 1.109 140 D CB 0.357 41.182 40.800 0.043 0.000 1.313 140 D HN 0.366 nan 8.370 nan 0.000 0.629 141 G N -1.436 107.384 108.800 0.032 0.000 2.509 141 G HA2 0.047 4.007 3.960 0.001 0.000 0.218 141 G HA3 0.047 4.007 3.960 0.001 0.000 0.218 141 G C 1.244 176.157 174.900 0.022 0.000 1.124 141 G CA 0.508 45.623 45.100 0.025 0.000 0.776 141 G HN 0.583 nan 8.290 nan 0.000 0.547 142 G N -0.523 108.291 108.800 0.024 0.000 2.650 142 G HA2 0.430 4.390 3.960 0.001 0.000 0.214 142 G HA3 0.430 4.390 3.960 0.001 0.000 0.214 142 G C 0.874 175.789 174.900 0.024 0.000 1.136 142 G CA 0.642 45.755 45.100 0.021 0.000 0.789 142 G HN 1.257 nan 8.290 nan 0.000 0.536 143 G N -1.065 107.754 108.800 0.032 0.000 2.362 143 G HA2 0.154 4.114 3.960 0.001 0.000 0.517 143 G HA3 0.154 4.114 3.960 0.001 0.000 0.517 143 G C -1.177 173.755 174.900 0.054 0.000 1.256 143 G CA -0.376 44.745 45.100 0.036 0.000 1.027 143 G HN 0.759 nan 8.290 nan 0.000 0.491 144 L N 0.594 121.854 121.223 0.061 0.000 2.312 144 L HA 0.872 5.213 4.340 0.001 0.000 0.281 144 L C 0.533 177.453 176.870 0.083 0.000 1.070 144 L CA -0.329 54.565 54.840 0.091 0.000 0.805 144 L CB 0.995 43.112 42.059 0.097 0.000 1.174 144 L HN 0.660 nan 8.230 nan 0.000 0.434 145 R N 3.415 123.969 120.500 0.090 0.000 2.575 145 R HA 0.318 4.659 4.340 0.001 0.000 0.293 145 R C -1.165 175.167 176.300 0.052 0.000 0.983 145 R CA -0.722 55.411 56.100 0.055 0.000 0.887 145 R CB 1.839 32.150 30.300 0.019 0.000 1.184 145 R HN 0.630 nan 8.270 nan 0.000 0.445 146 E N 4.167 124.368 120.200 0.001 0.000 2.180 146 E HA 0.062 4.413 4.350 0.001 0.000 0.283 146 E C 0.471 176.951 176.600 -0.199 0.000 1.061 146 E CA -0.145 56.134 56.400 -0.202 0.000 0.861 146 E CB 0.705 30.270 29.700 -0.225 0.000 1.056 146 E HN 0.552 nan 8.360 nan 0.000 0.407 147 L N 3.143 124.221 121.223 -0.242 0.000 2.095 147 L HA 0.184 4.524 4.340 0.001 0.000 0.204 147 L C 0.821 177.578 176.870 -0.188 0.000 1.080 147 L CA 0.696 55.435 54.840 -0.167 0.000 0.759 147 L CB -0.168 41.813 42.059 -0.130 0.000 0.914 147 L HN 0.545 nan 8.230 nan 0.000 0.439 148 A N -0.463 122.192 122.820 -0.274 0.000 2.594 148 A HA 0.499 4.819 4.320 0.001 0.000 0.296 148 A C -0.956 176.420 177.584 -0.347 0.000 1.061 148 A CA -0.615 51.258 52.037 -0.273 0.000 0.689 148 A CB 1.254 20.099 19.000 -0.258 0.000 1.280 148 A HN 0.081 nan 8.150 nan 0.000 0.406 149 R N 1.570 121.887 120.500 -0.305 0.000 2.308 149 R HA 0.629 4.969 4.340 0.001 0.000 0.305 149 R C -1.122 174.950 176.300 -0.379 0.000 1.053 149 R CA -0.420 55.492 56.100 -0.312 0.000 0.957 149 R CB 0.399 30.555 30.300 -0.239 0.000 1.022 149 R HN 0.677 nan 8.270 nan 0.000 0.461 150 L N 6.722 127.704 121.223 -0.402 0.000 2.325 150 L HA 0.362 4.703 4.340 0.001 0.000 0.279 150 L C -1.544 175.017 176.870 -0.515 0.000 1.054 150 L CA -2.289 52.217 54.840 -0.557 0.000 0.804 150 L CB 1.679 43.524 42.059 -0.357 0.000 1.200 150 L HN 0.536 nan 8.230 nan 0.000 0.436 151 P HA -0.088 nan 4.420 nan 0.000 0.218 151 P C 0.534 177.778 177.300 -0.093 0.000 1.148 151 P CA 0.732 63.570 63.100 -0.436 0.000 0.822 151 P CB 0.342 31.718 31.700 -0.540 0.000 0.784 152 G N -2.917 105.967 108.800 0.139 0.000 2.846 152 G HA2 0.400 4.361 3.960 0.001 0.000 0.299 152 G HA3 0.400 4.361 3.960 0.001 0.000 0.299 152 G C -1.353 173.713 174.900 0.276 0.000 1.242 152 G CA -0.794 44.471 45.100 0.275 0.000 0.800 152 G HN -0.137 nan 8.290 nan 0.000 0.538 153 F N 1.243 121.289 119.950 0.161 0.000 2.604 153 F HA 0.359 4.886 4.527 0.000 0.000 0.393 153 F C 1.286 177.076 175.800 -0.016 0.000 1.043 153 F CA 1.733 59.699 58.000 -0.058 0.000 1.227 153 F CB 0.516 39.457 39.000 -0.097 0.000 1.016 153 F HN 0.510 nan 8.300 nan 0.000 0.556 154 G N 3.453 112.164 108.800 -0.148 0.000 2.612 154 G HA2 0.706 4.667 3.960 0.001 0.000 0.298 154 G HA3 0.706 4.667 3.960 0.001 0.000 0.298 154 G C -1.988 172.673 174.900 -0.398 0.000 1.336 154 G CA -0.696 44.380 45.100 -0.039 0.000 0.953 154 G HN 0.363 nan 8.290 nan 0.000 0.482 155 F N 0.260 120.505 119.950 0.491 0.000 2.561 155 F HA 0.430 4.957 4.527 0.000 0.000 0.313 155 F C 0.185 176.140 175.800 0.257 0.000 1.126 155 F CA -1.015 57.185 58.000 0.334 0.000 0.918 155 F CB 2.502 41.649 39.000 0.246 0.000 1.199 155 F HN 0.271 nan 8.300 nan 0.000 0.444 156 V N 2.542 122.686 119.914 0.384 0.000 2.508 156 V HA 0.104 4.225 4.120 0.001 0.000 0.281 156 V C 0.412 176.607 176.094 0.169 0.000 1.041 156 V CA 0.346 62.784 62.300 0.229 0.000 1.016 156 V CB 0.892 32.858 31.823 0.238 0.000 0.984 156 V HN 0.998 nan 8.190 nan 0.000 0.478 157 S N 2.445 118.172 115.700 0.045 0.000 2.460 157 S HA 0.121 4.591 4.470 0.001 0.000 0.226 157 S C 0.331 174.968 174.600 0.062 0.000 1.057 157 S CA 0.352 58.576 58.200 0.041 0.000 0.948 157 S CB 0.124 63.289 63.200 -0.057 0.000 0.822 157 S HN 0.926 nan 8.310 nan 0.000 0.512 158 D N -1.184 119.237 120.400 0.036 0.000 2.648 158 D HA 0.489 5.130 4.640 0.001 0.000 0.244 158 D C -1.874 174.461 176.300 0.059 0.000 1.244 158 D CA -0.448 53.593 54.000 0.069 0.000 0.772 158 D CB 1.157 41.987 40.800 0.050 0.000 1.379 158 D HN 0.004 nan 8.370 nan 0.000 0.428 159 I N 1.344 121.967 120.570 0.087 0.000 2.619 159 I HA 0.514 4.685 4.170 0.001 0.000 0.292 159 I C -0.692 175.464 176.117 0.065 0.000 1.100 159 I CA -0.819 60.520 61.300 0.065 0.000 1.043 159 I CB 2.455 40.497 38.000 0.069 0.000 1.239 159 I HN 0.218 nan 8.210 nan 0.000 0.420 160 R N 3.828 124.346 120.500 0.029 0.000 2.510 160 R HA 0.557 4.898 4.340 0.001 0.000 0.287 160 R C 0.303 176.599 176.300 -0.006 0.000 1.084 160 R CA 0.357 56.467 56.100 0.018 0.000 0.934 160 R CB 1.753 32.056 30.300 0.006 0.000 1.201 160 R HN 0.911 nan 8.270 nan 0.000 0.431 161 G N 3.559 112.348 108.800 -0.018 0.000 2.622 161 G HA2 -0.384 3.576 3.960 0.001 0.000 0.307 161 G HA3 -0.384 3.576 3.960 0.001 0.000 0.307 161 G C 0.177 175.070 174.900 -0.011 0.000 1.226 161 G CA 0.751 45.839 45.100 -0.019 0.000 0.997 161 G HN 0.679 nan 8.290 nan 0.000 0.551 162 D N 0.211 120.608 120.400 -0.004 0.000 2.349 162 D HA 0.328 4.969 4.640 0.001 0.000 0.214 162 D C 0.638 176.946 176.300 0.014 0.000 1.063 162 D CA -0.082 53.921 54.000 0.005 0.000 0.847 162 D CB 0.227 41.029 40.800 0.004 0.000 0.933 162 D HN 0.286 nan 8.370 nan 0.000 0.513 163 L N 1.361 122.589 121.223 0.010 0.000 2.260 163 L HA 0.382 4.722 4.340 0.001 0.000 0.289 163 L C -0.639 176.245 176.870 0.023 0.000 1.057 163 L CA -0.282 54.567 54.840 0.015 0.000 0.811 163 L CB 0.546 42.603 42.059 -0.004 0.000 1.184 163 L HN -0.156 nan 8.230 nan 0.000 0.429 164 I N 5.139 125.736 120.570 0.045 0.000 2.359 164 I HA 0.632 4.803 4.170 0.001 0.000 0.294 164 I C 0.102 176.228 176.117 0.014 0.000 0.987 164 I CA -0.341 60.990 61.300 0.053 0.000 1.225 164 I CB 1.610 39.674 38.000 0.107 0.000 1.366 164 I HN 0.759 nan 8.210 nan 0.000 0.466 165 A N 4.402 127.182 122.820 -0.066 0.000 2.350 165 A HA 0.959 5.279 4.320 0.001 0.000 0.324 165 A C -0.196 177.152 177.584 -0.394 0.000 1.118 165 A CA -0.423 51.487 52.037 -0.210 0.000 0.783 165 A CB 1.515 20.413 19.000 -0.170 0.000 1.236 165 A HN 0.841 nan 8.150 nan 0.000 0.457 166 G N -0.204 108.061 108.800 -0.892 0.000 2.687 166 G HA2 0.595 4.556 3.960 0.001 0.000 0.291 166 G HA3 0.595 4.556 3.960 0.001 0.000 0.291 166 G C -1.669 172.654 174.900 -0.962 0.000 1.420 166 G CA -0.668 43.756 45.100 -1.126 0.000 0.796 166 G HN 0.729 nan 8.290 nan 0.000 0.485 167 L N -0.012 121.006 121.223 -0.341 0.000 2.365 167 L HA 0.786 5.127 4.340 0.001 0.000 0.273 167 L C 0.333 177.312 176.870 0.183 0.000 1.000 167 L CA -0.845 53.965 54.840 -0.051 0.000 0.819 167 L CB 2.495 44.575 42.059 0.034 0.000 1.284 167 L HN 0.763 nan 8.230 nan 0.000 0.418 168 G N 1.188 109.867 108.800 -0.202 0.000 2.643 168 G HA2 0.573 4.534 3.960 0.001 0.000 0.305 168 G HA3 0.573 4.534 3.960 0.001 0.000 0.305 168 G C -1.182 173.210 174.900 -0.845 0.000 1.387 168 G CA -0.343 44.202 45.100 -0.925 0.000 0.982 168 G HN 0.311 nan 8.290 nan 0.000 0.501 169 F N 2.810 122.629 119.950 -0.217 0.000 2.652 169 F HA 0.306 4.834 4.527 0.001 0.000 0.352 169 F C 0.810 176.784 175.800 0.290 0.000 1.259 169 F CA -0.471 57.603 58.000 0.123 0.000 1.249 169 F CB -0.057 39.184 39.000 0.402 0.000 1.628 169 F HN 0.495 nan 8.300 nan 0.000 0.654 170 F N 0.662 120.773 119.950 0.269 0.000 2.664 170 F HA 0.421 4.948 4.527 0.001 0.000 0.303 170 F C 1.196 177.088 175.800 0.153 0.000 1.092 170 F CA -0.352 57.756 58.000 0.181 0.000 1.305 170 F CB 0.483 39.550 39.000 0.111 0.000 1.054 170 F HN 0.378 nan 8.300 nan 0.000 0.565 171 G N -1.116 107.885 108.800 0.335 0.000 2.378 171 G HA2 0.352 4.313 3.960 0.001 0.000 0.302 171 G HA3 0.352 4.313 3.960 0.001 0.000 0.302 171 G C 0.178 175.186 174.900 0.180 0.000 1.669 171 G CA -0.265 44.972 45.100 0.229 0.000 0.920 171 G HN 0.314 nan 8.290 nan 0.000 0.697 172 G N -0.526 108.362 108.800 0.146 0.000 2.168 172 G HA2 0.267 4.228 3.960 0.001 0.000 0.257 172 G HA3 0.267 4.228 3.960 0.001 0.000 0.257 172 G C 2.073 177.055 174.900 0.137 0.000 0.997 172 G CA 1.419 46.584 45.100 0.108 0.000 0.708 172 G HN 2.905 nan 8.290 nan 0.000 0.520 173 G N -1.438 107.502 108.800 0.235 0.000 2.175 173 G HA2 -0.333 3.628 3.960 0.001 0.000 0.265 173 G HA3 -0.333 3.628 3.960 0.001 0.000 0.265 173 G C 0.553 175.516 174.900 0.105 0.000 0.979 173 G CA 1.264 46.561 45.100 0.329 0.000 0.663 173 G HN 1.048 nan 8.290 nan 0.000 0.533 174 R N -0.640 119.893 120.500 0.056 0.000 2.531 174 R HA 0.523 4.863 4.340 0.001 0.000 0.273 174 R C -0.042 176.136 176.300 -0.203 0.000 1.070 174 R CA -0.441 55.616 56.100 -0.072 0.000 1.112 174 R CB 1.388 31.680 30.300 -0.013 0.000 1.049 174 R HN 0.084 nan 8.270 nan 0.000 0.508 175 V N 2.000 121.721 119.914 -0.321 0.000 2.370 175 V HA 0.206 4.327 4.120 0.001 0.000 0.283 175 V C -0.085 175.961 176.094 -0.080 0.000 1.023 175 V CA -0.548 61.486 62.300 -0.444 0.000 0.857 175 V CB 1.570 33.045 31.823 -0.581 0.000 0.985 175 V HN 0.772 nan 8.190 nan 0.000 0.443 176 S N 4.433 120.092 115.700 -0.067 0.000 2.646 176 S HA 0.659 5.129 4.470 0.001 0.000 0.276 176 S C -0.352 174.315 174.600 0.111 0.000 1.222 176 S CA -0.477 57.825 58.200 0.169 0.000 1.014 176 S CB 1.631 64.930 63.200 0.164 0.000 0.991 176 S HN 0.570 nan 8.310 nan 0.000 0.533 177 L N 2.969 124.204 121.223 0.020 0.000 2.350 177 L HA 0.657 4.997 4.340 0.001 0.000 0.275 177 L C -0.871 176.104 176.870 0.174 0.000 1.099 177 L CA -0.149 54.568 54.840 -0.206 0.000 0.808 177 L CB 0.191 41.796 42.059 -0.757 0.000 1.149 177 L HN 0.623 nan 8.230 nan 0.000 0.442 178 F N 1.133 121.150 119.950 0.112 0.000 2.588 178 F HA 0.897 5.425 4.527 0.001 0.000 0.314 178 F C -0.549 175.357 175.800 0.177 0.000 1.069 178 F CA -0.563 57.553 58.000 0.194 0.000 0.931 178 F CB 1.328 40.475 39.000 0.244 0.000 1.260 178 F HN 0.567 nan 8.300 nan 0.000 0.465 179 T N -0.696 114.132 114.554 0.456 0.000 2.907 179 T HA 0.762 5.113 4.350 0.001 0.000 0.292 179 T C -0.880 174.013 174.700 0.323 0.000 1.043 179 T CA -0.663 61.620 62.100 0.304 0.000 1.003 179 T CB 1.597 70.615 68.868 0.251 0.000 1.084 179 T HN 1.000 nan 8.240 nan 0.000 0.483 180 S N 0.551 116.389 115.700 0.230 0.000 2.720 180 S HA 0.564 5.035 4.470 0.001 0.000 0.287 180 S C -1.607 173.045 174.600 0.087 0.000 1.168 180 S CA -0.890 57.395 58.200 0.141 0.000 0.832 180 S CB 1.639 64.917 63.200 0.131 0.000 1.166 180 S HN 0.874 nan 8.310 nan 0.000 0.493 181 N N 2.118 120.847 118.700 0.049 0.000 2.446 181 N HA 0.219 4.959 4.740 0.001 0.000 0.265 181 N C 0.745 176.269 175.510 0.022 0.000 0.975 181 N CA -0.383 52.687 53.050 0.032 0.000 0.928 181 N CB 1.411 39.910 38.487 0.020 0.000 1.160 181 N HN 0.595 nan 8.380 nan 0.000 0.495 182 L N 3.917 125.155 121.223 0.026 0.000 2.089 182 L HA -0.170 4.171 4.340 0.001 0.000 0.213 182 L C 1.729 178.606 176.870 0.012 0.000 1.079 182 L CA 1.995 56.848 54.840 0.022 0.000 0.758 182 L CB -0.452 41.621 42.059 0.022 0.000 0.891 182 L HN 0.537 nan 8.230 nan 0.000 0.433 183 S N -1.564 114.141 115.700 0.009 0.000 2.425 183 S HA -0.001 4.470 4.470 0.001 0.000 0.225 183 S C 1.551 176.150 174.600 -0.000 0.000 1.024 183 S CA 0.917 59.120 58.200 0.005 0.000 0.951 183 S CB -0.020 63.183 63.200 0.004 0.000 0.796 183 S HN 0.734 nan 8.310 nan 0.000 0.498 184 S N -0.184 115.514 115.700 -0.003 0.000 2.733 184 S HA 0.568 5.038 4.470 0.001 0.000 0.247 184 S C 1.000 175.588 174.600 -0.020 0.000 1.043 184 S CA 0.201 58.395 58.200 -0.010 0.000 1.066 184 S CB 0.324 63.520 63.200 -0.007 0.000 1.045 184 S HN 0.687 nan 8.310 nan 0.000 0.586 185 G N 1.258 110.046 108.800 -0.020 0.000 2.552 185 G HA2 0.277 4.238 3.960 0.001 0.000 0.265 185 G HA3 0.277 4.238 3.960 0.001 0.000 0.265 185 G C 0.519 175.400 174.900 -0.032 0.000 1.234 185 G CA -0.085 44.992 45.100 -0.038 0.000 0.944 185 G HN 2.144 nan 8.290 nan 0.000 0.568 186 G N -2.505 106.261 108.800 -0.057 0.000 2.710 186 G HA2 0.455 4.416 3.960 0.001 0.000 0.668 186 G HA3 0.455 4.416 3.960 0.001 0.000 0.668 186 G C -0.853 174.012 174.900 -0.058 0.000 1.320 186 G CA 0.295 45.362 45.100 -0.056 0.000 0.860 186 G HN 2.331 nan 8.290 nan 0.000 0.538 187 L N -0.660 120.526 121.223 -0.062 0.000 2.565 187 L HA 0.904 5.244 4.340 0.001 0.000 0.261 187 L C 0.095 176.926 176.870 -0.064 0.000 0.932 187 L CA 0.555 55.361 54.840 -0.057 0.000 0.878 187 L CB 1.582 43.550 42.059 -0.152 0.000 1.333 187 L HN 1.941 nan 8.230 nan 0.000 0.409 188 R N 3.383 123.865 120.500 -0.031 0.000 2.562 188 R HA 0.928 5.268 4.340 0.001 0.000 0.298 188 R C -1.618 174.503 176.300 -0.298 0.000 0.961 188 R CA -0.324 55.650 56.100 -0.210 0.000 0.881 188 R CB 1.654 31.846 30.300 -0.181 0.000 1.159 188 R HN 0.473 nan 8.270 nan 0.000 0.450 189 V N 2.875 122.512 119.914 -0.461 0.000 2.495 189 V HA 0.694 4.814 4.120 0.001 0.000 0.298 189 V C -1.072 174.695 176.094 -0.545 0.000 1.031 189 V CA -0.863 61.290 62.300 -0.245 0.000 0.871 189 V CB 1.412 33.245 31.823 0.016 0.000 0.988 189 V HN 0.765 nan 8.190 nan 0.000 0.432 190 F N 2.373 122.386 119.950 0.106 0.000 2.427 190 F HA 0.541 5.068 4.527 0.001 0.000 0.348 190 F C 0.160 176.092 175.800 0.220 0.000 1.125 190 F CA -0.623 57.426 58.000 0.082 0.000 0.989 190 F CB 1.491 40.449 39.000 -0.070 0.000 1.165 190 F HN 0.381 nan 8.300 nan 0.000 0.442 191 D N 1.509 122.130 120.400 0.368 0.000 2.256 191 D HA 0.212 4.852 4.640 0.001 0.000 0.246 191 D C -0.741 175.739 176.300 0.301 0.000 1.042 191 D CA -0.225 53.974 54.000 0.333 0.000 0.841 191 D CB 2.337 43.249 40.800 0.186 0.000 1.223 191 D HN 0.366 nan 8.370 nan 0.000 0.470 192 S N 0.445 116.256 115.700 0.186 0.000 2.462 192 S HA 0.468 4.939 4.470 0.001 0.000 0.294 192 S C 1.201 175.785 174.600 -0.027 0.000 1.144 192 S CA -0.614 57.589 58.200 0.004 0.000 1.088 192 S CB 1.237 64.252 63.200 -0.308 0.000 1.009 192 S HN 0.483 nan 8.310 nan 0.000 0.484 193 G N 2.855 111.654 108.800 -0.001 0.000 2.744 193 G HA2 0.024 3.984 3.960 0.001 0.000 0.211 193 G HA3 0.024 3.984 3.960 0.001 0.000 0.211 193 G C 0.887 175.768 174.900 -0.032 0.000 1.143 193 G CA 0.103 45.199 45.100 -0.007 0.000 0.788 193 G HN 0.816 nan 8.290 nan 0.000 0.534 194 E N -0.528 119.635 120.200 -0.062 0.000 2.385 194 E HA 0.332 4.682 4.350 0.001 0.000 0.194 194 E C 1.361 177.900 176.600 -0.103 0.000 1.013 194 E CA 0.321 56.678 56.400 -0.072 0.000 0.866 194 E CB 0.576 30.230 29.700 -0.076 0.000 0.832 194 E HN 0.388 nan 8.360 nan 0.000 0.500 195 G N 0.168 108.874 108.800 -0.158 0.000 2.399 195 G HA2 0.130 4.090 3.960 0.001 0.000 0.256 195 G HA3 0.130 4.090 3.960 0.001 0.000 0.256 195 G C -1.240 173.491 174.900 -0.282 0.000 1.236 195 G CA -0.690 44.301 45.100 -0.182 0.000 0.914 195 G HN -0.007 nan 8.290 nan 0.000 0.482 196 S N -0.454 115.070 115.700 -0.294 0.000 2.503 196 S HA 0.734 5.204 4.470 0.001 0.000 0.301 196 S C -0.969 173.420 174.600 -0.350 0.000 1.087 196 S CA -0.386 57.632 58.200 -0.304 0.000 1.042 196 S CB 1.103 64.169 63.200 -0.223 0.000 1.043 196 S HN 0.413 nan 8.310 nan 0.000 0.489 197 F N 1.878 121.759 119.950 -0.114 0.000 2.412 197 F HA 0.298 4.825 4.527 0.001 0.000 0.348 197 F C 1.675 177.399 175.800 -0.128 0.000 1.102 197 F CA -0.063 57.876 58.000 -0.102 0.000 1.196 197 F CB 1.269 40.215 39.000 -0.091 0.000 1.144 197 F HN 0.690 nan 8.300 nan 0.000 0.541 198 S N 0.607 116.351 115.700 0.074 0.000 2.670 198 S HA 0.460 4.930 4.470 0.001 0.000 0.241 198 S C 0.379 174.985 174.600 0.011 0.000 1.077 198 S CA 0.468 58.675 58.200 0.011 0.000 0.899 198 S CB -0.226 62.977 63.200 0.006 0.000 0.835 198 S HN 0.788 nan 8.310 nan 0.000 0.481 199 S N -0.104 115.595 115.700 -0.002 0.000 2.579 199 S HA 0.903 5.373 4.470 0.001 0.000 0.272 199 S C -0.698 173.839 174.600 -0.106 0.000 1.141 199 S CA -0.480 57.679 58.200 -0.068 0.000 0.843 199 S CB 1.525 nan 63.200 nan 0.000 1.122 199 S HN 1.329 nan 8.310 nan 0.000 0.468 200 A N 0.527 123.251 122.820 -0.159 0.000 2.520 200 A HA 0.951 5.272 4.320 0.001 0.000 0.298 200 A C -0.576 176.906 177.584 -0.169 0.000 1.051 200 A CA -0.409 51.530 52.037 -0.162 0.000 0.690 200 A CB 1.309 20.206 19.000 -0.171 0.000 1.281 200 A HN 1.737 nan 8.150 nan 0.000 0.402 201 S N 1.029 116.659 115.700 -0.117 0.000 2.566 201 S HA 0.573 5.043 4.470 0.001 0.000 0.273 201 S C -1.211 173.457 174.600 0.113 0.000 1.157 201 S CA -0.477 57.717 58.200 -0.010 0.000 0.938 201 S CB 0.568 63.730 63.200 -0.064 0.000 1.087 201 S HN 0.637 nan 8.310 nan 0.000 0.474 202 I N 4.489 125.096 120.570 0.061 0.000 2.379 202 I HA 0.219 4.389 4.170 0.001 0.000 0.290 202 I C 1.024 177.003 176.117 -0.230 0.000 1.063 202 I CA -0.181 61.092 61.300 -0.045 0.000 1.351 202 I CB 1.204 39.174 38.000 -0.050 0.000 1.410 202 I HN 0.711 nan 8.210 nan 0.000 0.505 203 S N 6.903 122.317 115.700 -0.476 0.000 2.589 203 S HA 0.234 4.704 4.470 0.001 0.000 0.265 203 S C -1.736 172.546 174.600 -0.530 0.000 1.342 203 S CA -0.982 56.589 58.200 -1.050 0.000 1.005 203 S CB 0.729 63.500 63.200 -0.715 0.000 0.909 203 S HN 0.402 nan 8.310 nan 0.000 0.555 204 P HA 0.067 nan 4.420 nan 0.000 0.219 204 P C 1.301 178.499 177.300 -0.170 0.000 1.146 204 P CA 1.320 64.277 63.100 -0.237 0.000 0.808 204 P CB -0.426 31.162 31.700 -0.186 0.000 0.779 205 G N -1.102 107.588 108.800 -0.185 0.000 2.956 205 G HA2 -0.038 3.923 3.960 0.001 0.000 0.207 205 G HA3 -0.038 3.923 3.960 0.001 0.000 0.207 205 G C 0.566 175.398 174.900 -0.113 0.000 1.162 205 G CA -0.070 44.955 45.100 -0.124 0.000 0.796 205 G HN 0.026 nan 8.290 nan 0.000 0.527 206 M N -0.712 118.808 119.600 -0.133 0.000 2.537 206 M HA -0.132 4.348 4.480 0.001 0.000 0.205 206 M C -0.199 176.037 176.300 -0.107 0.000 0.450 206 M CA 1.087 56.324 55.300 -0.105 0.000 0.553 206 M CB -2.175 30.382 32.600 -0.071 0.000 2.046 206 M HN 0.297 nan 8.290 nan 0.000 0.797 207 K N -0.160 120.161 120.400 -0.130 0.000 2.208 207 K HA 0.720 5.040 4.320 0.001 0.000 0.247 207 K C 0.032 176.554 176.600 -0.130 0.000 0.953 207 K CA -0.835 55.376 56.287 -0.128 0.000 0.837 207 K CB 2.587 35.022 32.500 -0.109 0.000 1.131 207 K HN -0.006 nan 8.250 nan 0.000 0.431 208 V N 2.565 122.385 119.914 -0.157 0.000 2.368 208 V HA 0.084 4.205 4.120 0.001 0.000 0.266 208 V C 0.121 176.150 176.094 -0.109 0.000 1.045 208 V CA -0.400 61.810 62.300 -0.150 0.000 0.899 208 V CB 0.794 32.472 31.823 -0.241 0.000 1.006 208 V HN 0.721 nan 8.190 nan 0.000 0.470 209 T N 4.959 119.506 114.554 -0.011 0.000 2.884 209 T HA 0.624 4.974 4.350 0.001 0.000 0.298 209 T C 0.194 174.852 174.700 -0.070 0.000 0.998 209 T CA 0.048 62.146 62.100 -0.003 0.000 1.124 209 T CB 1.111 70.036 68.868 0.094 0.000 0.931 209 T HN 0.982 nan 8.240 nan 0.000 0.531 210 A N 2.234 125.025 122.820 -0.048 0.000 2.517 210 A HA 0.747 5.067 4.320 0.001 0.000 0.297 210 A C 0.166 177.783 177.584 0.054 0.000 1.050 210 A CA -0.754 51.281 52.037 -0.003 0.000 0.694 210 A CB 1.298 20.326 19.000 0.047 0.000 1.277 210 A HN 0.975 nan 8.150 nan 0.000 0.400 211 G N 0.197 109.015 108.800 0.030 0.000 2.378 211 G HA2 0.519 4.480 3.960 0.001 0.000 0.255 211 G HA3 0.519 4.480 3.960 0.001 0.000 0.255 211 G C -0.656 174.291 174.900 0.078 0.000 1.270 211 G CA 0.020 45.148 45.100 0.047 0.000 0.876 211 G HN 1.216 nan 8.290 nan 0.000 0.521 212 L N 1.592 122.823 121.223 0.014 0.000 2.343 212 L HA 0.487 4.828 4.340 0.001 0.000 0.278 212 L C -0.219 176.589 176.870 -0.102 0.000 0.996 212 L CA -0.543 54.215 54.840 -0.136 0.000 0.831 212 L CB 1.670 43.615 42.059 -0.190 0.000 1.232 212 L HN 0.571 nan 8.230 nan 0.000 0.413 213 E N 3.746 123.870 120.200 -0.127 0.000 2.081 213 E HA 0.378 4.729 4.350 0.001 0.000 0.276 213 E C -0.235 176.309 176.600 -0.094 0.000 0.950 213 E CA -0.358 55.996 56.400 -0.077 0.000 0.776 213 E CB 0.984 30.651 29.700 -0.055 0.000 1.094 213 E HN 0.759 nan 8.360 nan 0.000 0.402 214 T N -0.742 113.772 114.554 -0.067 0.000 2.888 214 T HA 0.457 4.808 4.350 0.001 0.000 0.283 214 T C 1.507 176.196 174.700 -0.019 0.000 1.013 214 T CA -0.147 61.919 62.100 -0.057 0.000 0.938 214 T CB 1.051 69.886 68.868 -0.054 0.000 1.298 214 T HN 0.315 nan 8.240 nan 0.000 0.580 215 A N 0.819 123.636 122.820 -0.005 0.000 1.896 215 A HA -0.147 4.173 4.320 0.001 0.000 0.220 215 A C 2.161 179.777 177.584 0.052 0.000 1.206 215 A CA 1.866 53.920 52.037 0.028 0.000 0.647 215 A CB -0.720 18.294 19.000 0.023 0.000 0.828 215 A HN 0.824 nan 8.150 nan 0.000 0.455 216 R N -1.057 119.459 120.500 0.027 0.000 2.569 216 R HA 0.169 4.510 4.340 0.001 0.000 0.422 216 R C -0.788 175.510 176.300 -0.003 0.000 0.980 216 R CA 0.313 56.432 56.100 0.031 0.000 1.164 216 R CB 0.815 31.124 30.300 0.015 0.000 1.520 216 R HN 0.704 nan 8.270 nan 0.000 0.567 217 E N -0.058 120.132 120.200 -0.017 0.000 2.447 217 E HA 0.674 5.025 4.350 0.001 0.000 0.279 217 E C -1.631 174.947 176.600 -0.037 0.000 1.053 217 E CA -1.150 55.224 56.400 -0.043 0.000 0.840 217 E CB 1.355 31.018 29.700 -0.062 0.000 1.409 217 E HN -0.046 nan 8.360 nan 0.000 0.461 218 A N 0.838 123.633 122.820 -0.042 0.000 2.455 218 A HA 0.789 5.109 4.320 0.001 0.000 0.300 218 A C -0.607 176.990 177.584 0.022 0.000 1.040 218 A CA -0.675 51.360 52.037 -0.004 0.000 0.697 218 A CB 1.393 20.411 19.000 0.030 0.000 1.265 218 A HN 0.752 nan 8.150 nan 0.000 0.407 219 R N 1.211 121.753 120.500 0.069 0.000 2.869 219 R HA 0.860 5.201 4.340 0.001 0.000 0.263 219 R C -1.601 174.798 176.300 0.164 0.000 1.066 219 R CA -0.935 55.258 56.100 0.156 0.000 0.960 219 R CB 0.979 31.323 30.300 0.074 0.000 1.221 219 R HN 0.466 nan 8.270 nan 0.000 0.474 220 L N 1.456 122.780 121.223 0.170 0.000 2.322 220 L HA 0.693 5.033 4.340 0.001 0.000 0.279 220 L C -0.214 176.677 176.870 0.034 0.000 1.036 220 L CA -1.195 53.666 54.840 0.035 0.000 0.807 220 L CB 1.798 43.789 42.059 -0.112 0.000 1.226 220 L HN 0.590 nan 8.230 nan 0.000 0.433 221 V N -1.223 118.712 119.914 0.036 0.000 3.007 221 V HA 0.631 4.751 4.120 0.001 0.000 0.311 221 V C -0.322 175.785 176.094 0.021 0.000 1.120 221 V CA -0.489 61.839 62.300 0.045 0.000 0.980 221 V CB 1.900 33.780 31.823 0.095 0.000 1.033 221 V HN 0.690 nan 8.190 nan 0.000 0.429 222 T N 2.860 117.414 114.554 0.001 0.000 2.795 222 T HA 0.671 5.021 4.350 0.001 0.000 0.282 222 T C -0.298 174.360 174.700 -0.069 0.000 0.980 222 T CA -0.336 61.743 62.100 -0.034 0.000 1.012 222 T CB 1.356 70.206 68.868 -0.030 0.000 0.936 222 T HN 0.761 nan 8.240 nan 0.000 0.457 223 V N 3.334 123.157 119.914 -0.151 0.000 2.417 223 V HA 0.326 4.446 4.120 0.001 0.000 0.291 223 V C 0.017 175.938 176.094 -0.289 0.000 1.024 223 V CA -0.961 61.178 62.300 -0.268 0.000 0.861 223 V CB 1.789 33.320 31.823 -0.486 0.000 0.985 223 V HN 0.815 nan 8.190 nan 0.000 0.436 224 D N 7.053 127.306 120.400 -0.245 0.000 2.316 224 D HA 0.267 4.908 4.640 0.001 0.000 0.245 224 D C -1.494 174.645 176.300 -0.268 0.000 1.171 224 D CA -1.811 52.073 54.000 -0.194 0.000 0.856 224 D CB 2.395 43.136 40.800 -0.098 0.000 1.090 224 D HN 0.261 nan 8.370 nan 0.000 0.476 225 P HA -0.078 nan 4.420 nan 0.000 0.229 225 P C 1.208 178.595 177.300 0.146 0.000 1.160 225 P CA 0.678 63.714 63.100 -0.107 0.000 0.777 225 P CB 0.301 31.983 31.700 -0.030 0.000 0.814 226 R N 1.474 122.008 120.500 0.057 0.000 2.073 226 R HA -0.086 4.254 4.340 0.001 0.000 0.229 226 R C 1.430 177.790 176.300 0.100 0.000 1.120 226 R CA 2.035 58.180 56.100 0.075 0.000 0.967 226 R CB -1.853 28.464 30.300 0.030 0.000 0.862 226 R HN 0.457 nan 8.270 nan 0.000 0.436 227 D N -4.279 116.175 120.400 0.089 0.000 2.540 227 D HA 0.218 4.859 4.640 0.001 0.000 0.229 227 D C 1.017 177.399 176.300 0.136 0.000 1.250 227 D CA 0.419 54.477 54.000 0.095 0.000 0.817 227 D CB -0.067 40.763 40.800 0.049 0.000 1.060 227 D HN 0.538 nan 8.370 nan 0.000 0.508 228 G N 1.038 109.966 108.800 0.212 0.000 2.200 228 G HA2 -0.338 3.622 3.960 0.001 0.000 0.268 228 G HA3 -0.338 3.622 3.960 0.001 0.000 0.268 228 G C 0.498 175.441 174.900 0.072 0.000 0.986 228 G CA 0.738 45.984 45.100 0.244 0.000 0.677 228 G HN 0.942 nan 8.290 nan 0.000 0.532 229 S N -0.994 114.716 115.700 0.017 0.000 2.537 229 S HA 0.501 4.972 4.470 0.001 0.000 0.286 229 S C 0.054 174.641 174.600 -0.022 0.000 1.299 229 S CA -0.009 58.195 58.200 0.007 0.000 1.067 229 S CB 2.233 65.432 63.200 -0.002 0.000 0.864 229 S HN 1.085 nan 8.310 nan 0.000 0.494 230 V N 4.302 124.224 119.914 0.013 0.000 2.444 230 V HA 0.572 4.692 4.120 0.001 0.000 0.294 230 V C -0.002 176.104 176.094 0.021 0.000 1.022 230 V CA -0.703 61.610 62.300 0.021 0.000 0.850 230 V CB 1.072 32.943 31.823 0.079 0.000 0.992 230 V HN 1.072 nan 8.190 nan 0.000 0.426 231 E N 2.066 122.273 120.200 0.010 0.000 2.359 231 E HA 0.624 4.974 4.350 0.001 0.000 0.266 231 E C -1.589 175.020 176.600 0.015 0.000 0.920 231 E CA -1.076 55.331 56.400 0.011 0.000 0.788 231 E CB 2.003 31.704 29.700 0.002 0.000 1.279 231 E HN 0.429 nan 8.360 nan 0.000 0.438 232 D N 0.946 121.355 120.400 0.015 0.000 2.304 232 D HA 0.199 4.839 4.640 0.001 0.000 0.250 232 D C -0.757 175.551 176.300 0.012 0.000 1.107 232 D CA -0.356 53.655 54.000 0.018 0.000 0.885 232 D CB 1.040 41.851 40.800 0.019 0.000 1.192 232 D HN 0.262 nan 8.370 nan 0.000 0.436 233 L N 1.815 123.044 121.223 0.010 0.000 2.290 233 L HA 0.227 4.567 4.340 0.001 0.000 0.284 233 L C -0.172 176.699 176.870 0.001 0.000 1.078 233 L CA -0.007 54.830 54.840 -0.004 0.000 0.815 233 L CB 1.193 43.235 42.059 -0.027 0.000 1.162 233 L HN 0.089 nan 8.230 nan 0.000 0.435 234 E N 5.119 125.320 120.200 0.002 0.000 2.145 234 E HA 0.507 4.857 4.350 0.001 0.000 0.270 234 E C -0.441 176.158 176.600 -0.001 0.000 0.906 234 E CA -0.513 55.894 56.400 0.010 0.000 0.761 234 E CB 1.417 31.125 29.700 0.013 0.000 1.116 234 E HN 0.634 nan 8.360 nan 0.000 0.408 235 L N 4.321 125.541 121.223 -0.005 0.000 2.416 235 L HA 0.416 4.756 4.340 0.001 0.000 0.262 235 L C -1.248 175.626 176.870 0.008 0.000 1.093 235 L CA -1.935 52.895 54.840 -0.016 0.000 0.801 235 L CB 0.854 42.881 42.059 -0.053 0.000 1.191 235 L HN 0.443 nan 8.230 nan 0.000 0.459 236 P HA -0.103 nan 4.420 nan 0.000 0.215 236 P C 0.324 177.641 177.300 0.028 0.000 1.157 236 P CA 0.888 63.998 63.100 0.018 0.000 0.868 236 P CB 0.208 31.918 31.700 0.017 0.000 0.788 237 S N -0.479 115.245 115.700 0.039 0.000 2.554 237 S HA 0.207 4.677 4.470 0.001 0.000 0.278 237 S C 0.825 175.466 174.600 0.069 0.000 1.242 237 S CA -0.582 57.653 58.200 0.059 0.000 1.051 237 S CB 0.215 63.463 63.200 0.081 0.000 0.986 237 S HN -0.153 nan 8.310 nan 0.000 0.502 238 K N 2.771 123.213 120.400 0.068 0.000 2.410 238 K HA 0.136 4.457 4.320 0.001 0.000 0.200 238 K C 0.332 176.978 176.600 0.076 0.000 1.023 238 K CA 0.034 56.359 56.287 0.063 0.000 1.149 238 K CB -0.083 32.442 32.500 0.042 0.000 0.859 238 K HN 0.567 nan 8.250 nan 0.000 0.514 239 D N 0.557 121.034 120.400 0.128 0.000 2.182 239 D HA -0.173 4.468 4.640 0.001 0.000 0.201 239 D C 1.478 177.847 176.300 0.115 0.000 0.986 239 D CA 0.837 54.961 54.000 0.206 0.000 0.847 239 D CB -0.119 40.889 40.800 0.347 0.000 0.942 239 D HN 0.197 nan 8.370 nan 0.000 0.467 240 F N 1.169 120.929 119.950 -0.317 0.000 2.098 240 F HA -0.106 4.421 4.527 0.001 0.000 0.294 240 F C 2.494 178.100 175.800 -0.323 0.000 1.107 240 F CA 1.127 58.614 58.000 -0.855 0.000 1.234 240 F CB -0.427 38.062 39.000 -0.852 0.000 1.002 240 F HN -0.201 nan 8.300 nan 0.000 0.472 241 S N -0.161 115.400 115.700 -0.231 0.000 2.359 241 S HA -0.230 4.240 4.470 0.001 0.000 0.223 241 S C 2.214 176.698 174.600 -0.194 0.000 1.039 241 S CA 1.860 59.927 58.200 -0.221 0.000 1.042 241 S CB -0.651 62.524 63.200 -0.041 0.000 0.915 241 S HN 0.511 nan 8.310 nan 0.000 0.439 242 S N -0.311 115.340 115.700 -0.081 0.000 2.423 242 S HA -0.055 4.416 4.470 0.001 0.000 0.231 242 S C 1.501 176.102 174.600 0.002 0.000 1.014 242 S CA 0.820 59.005 58.200 -0.024 0.000 0.965 242 S CB -0.423 62.797 63.200 0.034 0.000 0.785 242 S HN 0.681 nan 8.310 nan 0.000 0.495 243 Y N 2.378 122.598 120.300 -0.134 0.000 2.256 243 Y HA -0.086 4.464 4.550 0.001 0.000 0.288 243 Y C 0.725 176.545 175.900 -0.134 0.000 1.155 243 Y CA 1.209 59.269 58.100 -0.066 0.000 1.203 243 Y CB -0.204 38.270 38.460 0.022 0.000 0.980 243 Y HN 0.066 nan 8.280 nan 0.000 0.530 244 R N -0.244 120.090 120.500 -0.277 0.000 3.201 244 R HA -0.144 4.197 4.340 0.001 0.000 0.254 244 R C -2.679 173.402 176.300 -0.366 0.000 0.978 244 R CA 0.322 56.234 56.100 -0.312 0.000 0.661 244 R CB -2.108 28.048 30.300 -0.239 0.000 1.170 244 R HN 0.324 nan 8.270 nan 0.000 0.430 245 P HA -0.033 nan 4.420 nan 0.000 0.269 245 P C 0.868 178.102 177.300 -0.110 0.000 1.209 245 P CA 0.340 63.370 63.100 -0.116 0.000 0.776 245 P CB 0.889 32.646 31.700 0.095 0.000 0.876 246 T N -1.032 113.474 114.554 -0.080 0.000 3.057 246 T HA 0.429 4.780 4.350 0.001 0.000 0.254 246 T C 0.684 175.366 174.700 -0.029 0.000 1.094 246 T CA 0.177 62.238 62.100 -0.065 0.000 1.088 246 T CB 0.089 68.899 68.868 -0.096 0.000 0.934 246 T HN 0.625 nan 8.240 nan 0.000 0.497 247 A N 0.361 123.188 122.820 0.012 0.000 2.587 247 A HA 0.746 5.067 4.320 0.001 0.000 0.293 247 A C -1.779 175.875 177.584 0.117 0.000 1.087 247 A CA -0.941 51.120 52.037 0.040 0.000 0.692 247 A CB 1.199 20.200 19.000 0.000 0.000 1.291 247 A HN 0.242 nan 8.150 nan 0.000 0.407 248 I N 1.314 121.951 120.570 0.112 0.000 2.354 248 I HA 0.329 4.500 4.170 0.001 0.000 0.286 248 I C 1.274 177.469 176.117 0.131 0.000 1.007 248 I CA 0.111 61.502 61.300 0.151 0.000 1.167 248 I CB 1.789 39.863 38.000 0.122 0.000 1.320 248 I HN 0.764 nan 8.210 nan 0.000 0.458 249 T N 4.253 118.911 114.554 0.175 0.000 2.701 249 T HA -0.119 4.231 4.350 0.001 0.000 0.263 249 T C -0.141 174.723 174.700 0.272 0.000 1.040 249 T CA 1.422 63.634 62.100 0.188 0.000 1.147 249 T CB -0.034 68.956 68.868 0.203 0.000 0.865 249 T HN 0.634 nan 8.240 nan 0.000 0.426 250 W N 0.797 122.124 121.300 0.045 0.000 3.419 250 W HA 0.462 5.123 4.660 0.001 0.000 0.298 250 W C -2.542 173.980 176.519 0.005 0.000 1.260 250 W CA -1.335 56.024 57.345 0.023 0.000 1.199 250 W CB 0.878 30.353 29.460 0.025 0.000 1.349 250 W HN 0.104 nan 8.180 nan 0.000 0.557 251 L N 3.032 123.634 121.223 -1.035 0.000 2.359 251 L HA 1.144 5.484 4.340 0.001 0.000 0.256 251 L C -0.338 175.345 176.870 -1.979 0.000 1.026 251 L CA -0.925 53.148 54.840 -1.278 0.000 0.828 251 L CB 1.690 43.364 42.059 -0.641 0.000 1.406 251 L HN 0.814 nan 8.230 nan 0.000 0.413 252 G N -0.646 107.312 108.800 -1.404 0.000 2.633 252 G HA2 0.454 4.414 3.960 0.001 0.000 0.299 252 G HA3 0.454 4.414 3.960 0.001 0.000 0.299 252 G C -2.170 172.527 174.900 -0.338 0.000 1.501 252 G CA -0.652 44.011 45.100 -0.729 0.000 0.887 252 G HN 0.513 nan 8.290 nan 0.000 0.561 253 Y N 1.106 121.363 120.300 -0.070 0.000 2.377 253 Y HA 0.445 4.996 4.550 0.001 0.000 0.330 253 Y C 1.397 177.324 175.900 0.045 0.000 1.108 253 Y CA -0.201 57.887 58.100 -0.020 0.000 1.308 253 Y CB 0.892 39.330 38.460 -0.037 0.000 1.216 253 Y HN 0.340 nan 8.280 nan 0.000 0.518 254 L N 5.572 126.874 121.223 0.133 0.000 2.475 254 L HA 0.190 4.531 4.340 0.001 0.000 0.253 254 L C -1.268 175.533 176.870 -0.115 0.000 1.198 254 L CA -1.802 53.045 54.840 0.012 0.000 0.814 254 L CB 0.194 42.263 42.059 0.018 0.000 1.134 254 L HN 0.449 nan 8.230 nan 0.000 0.478 255 P HA -0.170 nan 4.420 nan 0.000 0.217 255 P C 0.394 177.617 177.300 -0.128 0.000 1.148 255 P CA 1.129 64.048 63.100 -0.303 0.000 0.828 255 P CB -0.044 31.383 31.700 -0.455 0.000 0.783 256 D N -2.468 117.879 120.400 -0.088 0.000 2.336 256 D HA 0.121 4.762 4.640 0.001 0.000 0.229 256 D C 1.460 177.759 176.300 -0.002 0.000 1.061 256 D CA 0.651 54.628 54.000 -0.038 0.000 0.875 256 D CB -0.885 39.898 40.800 -0.028 0.000 0.904 256 D HN 0.217 nan 8.370 nan 0.000 0.525 257 G N 0.062 108.878 108.800 0.026 0.000 2.241 257 G HA2 -0.336 3.624 3.960 0.001 0.000 0.244 257 G HA3 -0.336 3.624 3.960 0.001 0.000 0.244 257 G C 0.423 175.426 174.900 0.172 0.000 0.998 257 G CA -0.120 45.030 45.100 0.083 0.000 0.621 257 G HN 0.435 nan 8.290 nan 0.000 0.519 258 R N -0.218 120.338 120.500 0.093 0.000 2.643 258 R HA 0.434 4.774 4.340 0.001 0.000 0.270 258 R C -0.094 176.214 176.300 0.014 0.000 1.061 258 R CA -0.251 55.884 56.100 0.059 0.000 1.107 258 R CB 0.718 31.034 30.300 0.026 0.000 0.999 258 R HN 0.282 nan 8.270 nan 0.000 0.460 259 L N 2.277 123.432 121.223 -0.113 0.000 2.262 259 L HA 0.373 4.713 4.340 0.001 0.000 0.288 259 L C -0.603 176.137 176.870 -0.218 0.000 1.035 259 L CA 0.008 54.619 54.840 -0.381 0.000 0.820 259 L CB 1.185 42.896 42.059 -0.581 0.000 1.204 259 L HN 0.715 nan 8.230 nan 0.000 0.424 260 A N 5.231 127.968 122.820 -0.138 0.000 2.328 260 A HA 0.712 5.032 4.320 0.001 0.000 0.284 260 A C -0.788 176.783 177.584 -0.020 0.000 1.160 260 A CA -0.406 51.658 52.037 0.044 0.000 0.818 260 A CB 0.641 19.817 19.000 0.292 0.000 1.087 260 A HN 0.559 nan 8.150 nan 0.000 0.504 261 V N 2.954 122.908 119.914 0.066 0.000 2.709 261 V HA 0.463 4.584 4.120 0.001 0.000 0.308 261 V C -0.548 175.718 176.094 0.287 0.000 1.062 261 V CA -0.571 61.771 62.300 0.070 0.000 0.901 261 V CB 1.904 33.636 31.823 -0.153 0.000 1.003 261 V HN 0.632 nan 8.190 nan 0.000 0.425 262 V N 3.571 123.689 119.914 0.341 0.000 2.378 262 V HA 0.878 4.999 4.120 0.001 0.000 0.288 262 V C 0.272 176.565 176.094 0.332 0.000 1.016 262 V CA -0.179 62.317 62.300 0.327 0.000 0.840 262 V CB 1.315 33.333 31.823 0.325 0.000 0.994 262 V HN 1.077 nan 8.190 nan 0.000 0.431 263 A N 5.877 128.930 122.820 0.387 0.000 2.435 263 A HA 1.075 5.395 4.320 0.001 0.000 0.296 263 A C -0.451 177.372 177.584 0.399 0.000 1.147 263 A CA -0.914 51.367 52.037 0.407 0.000 0.775 263 A CB 2.021 21.365 19.000 0.573 0.000 1.340 263 A HN 0.937 nan 8.150 nan 0.000 0.427 264 R N 0.049 120.778 120.500 0.381 0.000 2.707 264 R HA 0.793 5.134 4.340 0.001 0.000 0.272 264 R C -1.499 174.912 176.300 0.184 0.000 1.011 264 R CA -0.864 55.431 56.100 0.325 0.000 0.893 264 R CB 1.634 32.026 30.300 0.154 0.000 1.233 264 R HN 0.641 nan 8.270 nan 0.000 0.464 265 R N 1.025 121.599 120.500 0.122 0.000 2.575 265 R HA 0.215 4.556 4.340 0.001 0.000 0.293 265 R C -0.888 175.418 176.300 0.010 0.000 0.983 265 R CA -0.780 55.291 56.100 -0.048 0.000 0.887 265 R CB 1.932 32.128 30.300 -0.174 0.000 1.184 265 R HN 0.926 nan 8.270 nan 0.000 0.445 266 E N 1.162 121.331 120.200 -0.050 0.000 2.360 266 E HA -0.256 4.094 4.350 0.001 0.000 0.238 266 E C 0.418 177.172 176.600 0.256 0.000 1.186 266 E CA 0.661 57.166 56.400 0.176 0.000 0.719 266 E CB -1.081 28.777 29.700 0.264 0.000 1.236 266 E HN 1.167 nan 8.360 nan 0.000 0.386 267 G N 0.091 108.968 108.800 0.129 0.000 2.166 267 G HA2 -0.381 3.579 3.960 0.001 0.000 0.260 267 G HA3 -0.381 3.579 3.960 0.001 0.000 0.260 267 G C 0.157 175.106 174.900 0.082 0.000 0.986 267 G CA 0.919 46.102 45.100 0.138 0.000 0.683 267 G HN 0.330 nan 8.290 nan 0.000 0.527 268 R N -0.159 120.417 120.500 0.128 0.000 2.750 268 R HA 0.659 5.000 4.340 0.001 0.000 0.281 268 R C 0.105 176.508 176.300 0.171 0.000 0.972 268 R CA -0.025 56.146 56.100 0.118 0.000 0.912 268 R CB 1.927 32.328 30.300 0.167 0.000 1.187 268 R HN 0.394 nan 8.270 nan 0.000 0.464 269 S N 0.495 116.281 115.700 0.144 0.000 2.704 269 S HA 0.884 5.354 4.470 0.001 0.000 0.305 269 S C -0.670 174.077 174.600 0.245 0.000 1.107 269 S CA -0.847 57.490 58.200 0.229 0.000 0.993 269 S CB 2.183 65.509 63.200 0.209 0.000 1.110 269 S HN 0.690 nan 8.310 nan 0.000 0.534 270 A N 0.786 123.651 122.820 0.074 0.000 2.449 270 A HA 0.723 5.043 4.320 0.001 0.000 0.302 270 A C -0.978 176.352 177.584 -0.423 0.000 1.048 270 A CA -0.790 51.063 52.037 -0.305 0.000 0.708 270 A CB 1.493 20.009 19.000 -0.806 0.000 1.274 270 A HN 0.878 nan 8.150 nan 0.000 0.410 271 V N 1.626 121.171 119.914 -0.615 0.000 2.439 271 V HA 0.596 4.716 4.120 0.001 0.000 0.282 271 V C -0.995 174.659 176.094 -0.734 0.000 1.039 271 V CA 0.002 62.024 62.300 -0.463 0.000 0.913 271 V CB 0.600 32.202 31.823 -0.369 0.000 0.983 271 V HN 0.668 nan 8.190 nan 0.000 0.460 272 F N 4.501 124.428 119.950 -0.037 0.000 2.557 272 F HA 0.585 5.113 4.527 0.001 0.000 0.316 272 F C -0.269 175.502 175.800 -0.049 0.000 1.141 272 F CA -0.698 57.281 58.000 -0.034 0.000 0.922 272 F CB 1.791 40.788 39.000 -0.006 0.000 1.194 272 F HN 0.169 nan 8.300 nan 0.000 0.443 273 I N 3.472 124.112 120.570 0.116 0.000 2.354 273 I HA 0.214 4.385 4.170 0.001 0.000 0.286 273 I C -0.279 175.863 176.117 0.041 0.000 1.007 273 I CA -0.473 60.858 61.300 0.051 0.000 1.167 273 I CB 1.138 39.156 38.000 0.030 0.000 1.320 273 I HN 0.639 nan 8.210 nan 0.000 0.458 274 D N 5.579 125.973 120.400 -0.011 0.000 2.708 274 D HA -0.191 4.449 4.640 0.001 0.000 0.236 274 D C 1.312 177.614 176.300 0.002 0.000 1.146 274 D CA 1.617 55.603 54.000 -0.024 0.000 0.662 274 D CB -0.803 39.998 40.800 0.001 0.000 1.059 274 D HN 1.116 nan 8.370 nan 0.000 0.428 275 G N -0.238 108.566 108.800 0.005 0.000 2.205 275 G HA2 -0.367 3.594 3.960 0.001 0.000 0.261 275 G HA3 -0.367 3.594 3.960 0.001 0.000 0.261 275 G C 0.160 175.204 174.900 0.240 0.000 0.980 275 G CA 0.536 45.669 45.100 0.054 0.000 0.632 275 G HN 0.612 nan 8.290 nan 0.000 0.533 276 E N 0.423 120.762 120.200 0.232 0.000 2.227 276 E HA 0.566 4.917 4.350 0.001 0.000 0.282 276 E C 0.579 177.318 176.600 0.233 0.000 1.015 276 E CA -1.073 55.458 56.400 0.218 0.000 0.823 276 E CB 0.502 30.264 29.700 0.103 0.000 1.081 276 E HN 0.180 nan 8.360 nan 0.000 0.396 277 R N 3.047 123.661 120.500 0.189 0.000 2.480 277 R HA 0.060 4.401 4.340 0.001 0.000 0.303 277 R C -1.319 174.900 176.300 -0.135 0.000 0.985 277 R CA 0.158 56.186 56.100 -0.121 0.000 1.051 277 R CB 0.170 30.430 30.300 -0.067 0.000 0.935 277 R HN 0.256 nan 8.270 nan 0.000 0.410 278 V N 4.910 124.683 119.914 -0.235 0.000 2.394 278 V HA 0.213 4.334 4.120 0.001 0.000 0.282 278 V C 0.189 176.146 176.094 -0.230 0.000 1.031 278 V CA -0.826 61.367 62.300 -0.178 0.000 0.881 278 V CB 1.381 33.114 31.823 -0.150 0.000 0.982 278 V HN 0.701 nan 8.190 nan 0.000 0.451 279 E N 2.978 123.083 120.200 -0.159 0.000 2.392 279 E HA 0.561 4.911 4.350 0.001 0.000 0.264 279 E C -0.026 176.465 176.600 -0.181 0.000 1.024 279 E CA 0.460 56.771 56.400 -0.148 0.000 0.903 279 E CB 1.128 30.776 29.700 -0.087 0.000 0.963 279 E HN 0.943 nan 8.360 nan 0.000 0.432 280 A N 4.313 127.019 122.820 -0.190 0.000 2.572 280 A HA 0.636 4.957 4.320 0.001 0.000 0.295 280 A C -2.600 174.922 177.584 -0.104 0.000 1.072 280 A CA -1.617 50.278 52.037 -0.238 0.000 0.691 280 A CB 0.982 19.622 19.000 -0.601 0.000 1.291 280 A HN 0.526 nan 8.150 nan 0.000 0.404 281 P HA 0.094 nan 4.420 nan 0.000 0.265 281 P C -0.381 176.875 177.300 -0.073 0.000 1.193 281 P CA 0.056 62.995 63.100 -0.267 0.000 0.765 281 P CB 0.352 31.589 31.700 -0.773 0.000 0.823 282 Q N 1.381 121.204 119.800 0.037 0.000 2.315 282 Q HA 0.319 4.659 4.340 0.001 0.000 0.289 282 Q C 0.700 176.854 176.000 0.257 0.000 1.044 282 Q CA 1.229 57.119 55.803 0.145 0.000 0.920 282 Q CB -0.125 28.686 28.738 0.123 0.000 1.214 282 Q HN 0.791 nan 8.270 nan 0.000 0.392 283 G N 3.465 112.345 108.800 0.133 0.000 2.204 283 G HA2 -0.125 3.835 3.960 0.001 0.000 0.153 283 G HA3 -0.125 3.835 3.960 0.001 0.000 0.153 283 G C -1.251 173.532 174.900 -0.196 0.000 1.295 283 G CA -0.603 44.509 45.100 0.020 0.000 1.257 283 G HN 0.643 nan 8.290 nan 0.000 0.495 284 N N 0.353 118.845 118.700 -0.346 0.000 2.265 284 N HA 0.674 5.415 4.740 0.001 0.000 0.300 284 N C -1.434 173.747 175.510 -0.549 0.000 1.148 284 N CA -0.374 52.424 53.050 -0.421 0.000 0.772 284 N CB 1.846 40.216 38.487 -0.195 0.000 1.434 284 N HN 0.629 nan 8.380 nan 0.000 0.481 285 H N -1.177 117.926 119.070 0.056 0.000 2.797 285 H HA 0.614 5.170 4.556 0.001 0.000 0.372 285 H C 0.524 175.843 175.328 -0.015 0.000 1.168 285 H CA -0.857 55.207 56.048 0.028 0.000 1.163 285 H CB 1.735 31.510 29.762 0.022 0.000 1.778 285 H HN 0.606 nan 8.280 nan 0.000 0.551 286 G N -0.274 108.550 108.800 0.040 0.000 3.019 286 G HA2 0.247 4.208 3.960 0.001 0.000 0.152 286 G HA3 0.247 4.208 3.960 0.001 0.000 0.152 286 G C -0.530 174.178 174.900 -0.320 0.000 1.320 286 G CA -1.119 43.917 45.100 -0.106 0.000 1.013 286 G HN 0.746 nan 8.290 nan 0.000 0.593 287 R N -0.873 119.202 120.500 -0.707 0.000 2.679 287 R HA 0.344 4.685 4.340 0.001 0.000 0.268 287 R C -1.147 174.624 176.300 -0.881 0.000 1.044 287 R CA -0.212 54.962 56.100 -1.544 0.000 1.105 287 R CB 0.630 29.978 30.300 -1.586 0.000 0.989 287 R HN 0.104 nan 8.270 nan 0.000 0.447 288 V N 4.050 123.404 119.914 -0.933 0.000 2.459 288 V HA 0.390 4.511 4.120 0.001 0.000 0.295 288 V C 0.191 176.238 176.094 -0.080 0.000 1.029 288 V CA -0.728 61.413 62.300 -0.266 0.000 0.874 288 V CB 1.342 33.166 31.823 0.002 0.000 0.985 288 V HN 0.734 nan 8.190 nan 0.000 0.438 289 V N 3.101 123.023 119.914 0.014 0.000 2.960 289 V HA 0.770 4.890 4.120 0.001 0.000 0.315 289 V C -0.777 175.455 176.094 0.230 0.000 1.087 289 V CA -1.106 61.312 62.300 0.197 0.000 0.982 289 V CB 1.988 33.886 31.823 0.125 0.000 1.039 289 V HN 0.638 nan 8.190 nan 0.000 0.437 290 L N 3.118 124.525 121.223 0.307 0.000 2.307 290 L HA 0.790 5.130 4.340 0.001 0.000 0.282 290 L C -1.106 175.990 176.870 0.376 0.000 1.051 290 L CA 0.019 55.004 54.840 0.241 0.000 0.804 290 L CB 1.317 43.444 42.059 0.113 0.000 1.197 290 L HN 0.996 nan 8.230 nan 0.000 0.431 291 W N 6.733 128.085 121.300 0.087 0.000 3.423 291 W HA 0.415 5.076 4.660 0.001 0.000 0.330 291 W C -0.544 176.003 176.519 0.046 0.000 1.102 291 W CA -0.676 56.718 57.345 0.082 0.000 1.261 291 W CB 0.737 30.246 29.460 0.082 0.000 1.283 291 W HN 0.586 nan 8.180 nan 0.000 0.447 292 R N 3.870 124.113 120.500 -0.428 0.000 3.422 292 R HA -0.162 4.179 4.340 0.001 0.000 0.267 292 R C 0.898 177.061 176.300 -0.228 0.000 1.074 292 R CA 1.399 57.216 56.100 -0.471 0.000 0.718 292 R CB -2.253 27.539 30.300 -0.846 0.000 1.157 292 R HN 1.845 nan 8.270 nan 0.000 0.440 293 G N 0.197 108.933 108.800 -0.106 0.000 2.233 293 G HA2 -0.403 3.558 3.960 0.001 0.000 0.270 293 G HA3 -0.403 3.558 3.960 0.001 0.000 0.270 293 G C 0.077 174.960 174.900 -0.029 0.000 1.011 293 G CA 1.274 46.341 45.100 -0.055 0.000 0.762 293 G HN 0.799 nan 8.290 nan 0.000 0.511 294 K N -0.327 120.074 120.400 0.002 0.000 2.426 294 K HA 0.706 5.027 4.320 0.001 0.000 0.251 294 K C -0.124 176.541 176.600 0.108 0.000 0.941 294 K CA -1.309 55.002 56.287 0.041 0.000 0.808 294 K CB 1.578 34.097 32.500 0.031 0.000 1.265 294 K HN 0.098 nan 8.250 nan 0.000 0.432 295 L N 2.374 123.641 121.223 0.074 0.000 2.397 295 L HA 0.376 4.716 4.340 0.001 0.000 0.271 295 L C -0.490 176.429 176.870 0.083 0.000 1.148 295 L CA -0.806 54.076 54.840 0.071 0.000 0.825 295 L CB 1.308 43.378 42.059 0.018 0.000 1.117 295 L HN 0.375 nan 8.230 nan 0.000 0.456 296 V N 1.808 121.766 119.914 0.074 0.000 2.760 296 V HA 0.585 4.705 4.120 0.001 0.000 0.309 296 V C -0.186 175.881 176.094 -0.044 0.000 1.077 296 V CA -0.417 61.904 62.300 0.036 0.000 0.910 296 V CB 2.235 34.101 31.823 0.072 0.000 1.008 296 V HN 0.880 nan 8.190 nan 0.000 0.424 297 T N 1.730 116.245 114.554 -0.065 0.000 2.778 297 T HA 0.602 4.952 4.350 0.001 0.000 0.293 297 T C -0.394 174.276 174.700 -0.050 0.000 1.144 297 T CA 0.074 62.121 62.100 -0.088 0.000 1.010 297 T CB 2.004 70.824 68.868 -0.081 0.000 1.325 297 T HN 0.996 nan 8.240 nan 0.000 0.515 298 S N 1.294 116.971 115.700 -0.037 0.000 2.586 298 S HA 0.493 4.963 4.470 0.001 0.000 0.274 298 S C -0.552 174.131 174.600 0.139 0.000 1.281 298 S CA -0.602 57.605 58.200 0.011 0.000 1.035 298 S CB 0.607 63.788 63.200 -0.033 0.000 0.962 298 S HN 0.851 nan 8.310 nan 0.000 0.512 299 H N 0.460 119.545 119.070 0.025 0.000 2.679 299 H HA 0.591 5.148 4.556 0.001 0.000 0.360 299 H C -1.258 174.053 175.328 -0.028 0.000 1.105 299 H CA -0.389 55.681 56.048 0.037 0.000 1.196 299 H CB 2.162 31.979 29.762 0.091 0.000 1.636 299 H HN 0.792 nan 8.280 nan 0.000 0.531 300 T N 2.129 116.249 114.554 -0.723 0.000 2.843 300 T HA 0.524 4.875 4.350 0.001 0.000 0.302 300 T C -1.345 172.989 174.700 -0.611 0.000 1.232 300 T CA -0.159 61.571 62.100 -0.617 0.000 1.009 300 T CB 1.407 70.143 68.868 -0.220 0.000 1.254 300 T HN 0.832 nan 8.240 nan 0.000 0.504 301 S N 1.474 117.004 115.700 -0.283 0.000 2.672 301 S HA 0.478 4.948 4.470 0.001 0.000 0.271 301 S C 0.825 175.457 174.600 0.054 0.000 1.171 301 S CA -0.894 57.246 58.200 -0.100 0.000 0.817 301 S CB 0.506 63.696 63.200 -0.016 0.000 1.150 301 S HN 0.615 nan 8.310 nan 0.000 0.478 302 L N 1.448 122.684 121.223 0.023 0.000 2.187 302 L HA -0.055 4.286 4.340 0.001 0.000 0.213 302 L C 2.406 179.392 176.870 0.193 0.000 1.100 302 L CA 1.706 56.562 54.840 0.028 0.000 0.765 302 L CB -0.396 41.655 42.059 -0.013 0.000 0.904 302 L HN 0.926 nan 8.230 nan 0.000 0.437 303 S N -3.747 112.101 115.700 0.247 0.000 2.539 303 S HA 0.109 4.579 4.470 0.001 0.000 0.221 303 S C 0.601 175.369 174.600 0.280 0.000 0.987 303 S CA -0.426 57.968 58.200 0.324 0.000 0.929 303 S CB 0.348 63.661 63.200 0.188 0.000 0.832 303 S HN 0.140 nan 8.310 nan 0.000 0.492 304 T N 4.539 119.215 114.554 0.204 0.000 2.892 304 T HA 0.485 4.836 4.350 0.001 0.000 0.311 304 T C -3.066 171.487 174.700 -0.246 0.000 1.033 304 T CA -1.390 60.665 62.100 -0.075 0.000 0.991 304 T CB 1.681 70.502 68.868 -0.078 0.000 0.981 304 T HN 0.018 nan 8.240 nan 0.000 0.457 305 P HA 0.131 nan 4.420 nan 0.000 0.266 305 P C -2.524 174.539 177.300 -0.396 0.000 1.193 305 P CA -1.056 61.486 63.100 -0.930 0.000 0.770 305 P CB -0.374 30.702 31.700 -1.040 0.000 0.836 306 P HA -0.021 nan 4.420 nan 0.000 0.261 306 P C -0.305 176.951 177.300 -0.074 0.000 1.173 306 P CA 0.837 63.855 63.100 -0.137 0.000 0.760 306 P CB 0.222 31.870 31.700 -0.087 0.000 0.783 307 R N 2.209 122.703 120.500 -0.009 0.000 2.739 307 R HA 0.649 4.989 4.340 0.001 0.000 0.271 307 R C -1.197 175.115 176.300 0.019 0.000 1.010 307 R CA -1.053 55.085 56.100 0.064 0.000 0.897 307 R CB 0.982 31.302 30.300 0.033 0.000 1.236 307 R HN 0.056 nan 8.270 nan 0.000 0.466 308 I N 2.653 123.177 120.570 -0.077 0.000 2.331 308 I HA 0.377 4.548 4.170 0.001 0.000 0.292 308 I C 0.489 176.533 176.117 -0.120 0.000 0.998 308 I CA -0.843 60.366 61.300 -0.152 0.000 1.267 308 I CB 1.022 38.814 38.000 -0.347 0.000 1.386 308 I HN 0.627 nan 8.210 nan 0.000 0.476 309 V N 2.671 122.551 119.914 -0.056 0.000 3.040 309 V HA 0.734 4.854 4.120 0.001 0.000 0.312 309 V C -0.212 175.871 176.094 -0.018 0.000 1.115 309 V CA -0.702 61.580 62.300 -0.030 0.000 0.998 309 V CB 1.944 33.765 31.823 -0.004 0.000 1.042 309 V HN 0.729 nan 8.190 nan 0.000 0.433 310 S N 2.235 117.940 115.700 0.008 0.000 2.554 310 S HA 0.776 5.246 4.470 0.001 0.000 0.278 310 S C -0.599 173.996 174.600 -0.010 0.000 1.242 310 S CA -0.640 57.583 58.200 0.038 0.000 1.051 310 S CB 0.346 63.594 63.200 0.081 0.000 0.986 310 S HN 0.724 nan 8.310 nan 0.000 0.502 311 L N 5.541 126.753 121.223 -0.018 0.000 2.342 311 L HA 0.517 4.858 4.340 0.001 0.000 0.271 311 L C -1.524 175.325 176.870 -0.035 0.000 1.008 311 L CA -1.984 52.823 54.840 -0.056 0.000 0.818 311 L CB 2.023 44.024 42.059 -0.097 0.000 1.296 311 L HN 0.553 nan 8.230 nan 0.000 0.427 312 P HA -0.005 nan 4.420 nan 0.000 0.255 312 P C 1.212 178.476 177.300 -0.059 0.000 1.248 312 P CA 0.274 63.334 63.100 -0.067 0.000 0.807 312 P CB 0.476 32.140 31.700 -0.060 0.000 1.150 313 S N 0.247 115.924 115.700 -0.038 0.000 2.400 313 S HA -0.029 4.442 4.470 0.001 0.000 0.232 313 S C 1.908 176.483 174.600 -0.042 0.000 1.025 313 S CA 1.515 59.696 58.200 -0.031 0.000 0.993 313 S CB -1.774 61.417 63.200 -0.015 0.000 0.808 313 S HN 0.314 nan 8.310 nan 0.000 0.478 314 G N -0.028 108.740 108.800 -0.054 0.000 2.159 314 G HA2 -0.126 3.835 3.960 0.001 0.000 0.256 314 G HA3 -0.126 3.835 3.960 0.001 0.000 0.256 314 G C 0.044 174.918 174.900 -0.044 0.000 0.977 314 G CA 0.698 45.754 45.100 -0.073 0.000 0.652 314 G HN 1.262 nan 8.290 nan 0.000 0.531 315 E N 1.600 121.789 120.200 -0.020 0.000 2.360 315 E HA 0.579 4.930 4.350 0.001 0.000 0.269 315 E C -1.626 174.972 176.600 -0.004 0.000 1.022 315 E CA -0.947 55.450 56.400 -0.004 0.000 0.887 315 E CB -0.035 29.671 29.700 0.009 0.000 0.990 315 E HN 0.392 nan 8.360 nan 0.000 0.426 316 P HA 0.217 nan 4.420 nan 0.000 0.275 316 P C 0.096 177.365 177.300 -0.052 0.000 1.227 316 P CA -0.112 62.969 63.100 -0.031 0.000 0.781 316 P CB 1.085 32.770 31.700 -0.024 0.000 0.906 317 L N 1.829 122.969 121.223 -0.137 0.000 2.433 317 L HA 0.293 4.633 4.340 0.001 0.000 0.200 317 L C 0.855 177.440 176.870 -0.474 0.000 1.059 317 L CA 0.489 55.193 54.840 -0.227 0.000 0.835 317 L CB 0.015 41.895 42.059 -0.297 0.000 1.076 317 L HN 0.239 nan 8.230 nan 0.000 0.481 318 L N 1.016 121.903 121.223 -0.560 0.000 2.406 318 L HA 0.388 4.729 4.340 0.001 0.000 0.272 318 L C -1.018 175.665 176.870 -0.312 0.000 0.980 318 L CA -0.267 54.176 54.840 -0.662 0.000 0.831 318 L CB 2.029 43.326 42.059 -1.271 0.000 1.253 318 L HN 0.158 nan 8.230 nan 0.000 0.406 319 E N 2.499 122.653 120.200 -0.077 0.000 2.366 319 E HA 0.624 4.975 4.350 0.001 0.000 0.278 319 E C -0.853 175.820 176.600 0.122 0.000 0.923 319 E CA -0.981 55.477 56.400 0.096 0.000 0.761 319 E CB 2.008 31.709 29.700 0.003 0.000 1.231 319 E HN 0.481 nan 8.360 nan 0.000 0.443 320 G N 0.826 109.658 108.800 0.053 0.000 2.395 320 G HA2 0.512 4.473 3.960 0.001 0.000 0.283 320 G HA3 0.512 4.473 3.960 0.001 0.000 0.283 320 G C -0.026 174.822 174.900 -0.087 0.000 1.178 320 G CA -0.389 44.684 45.100 -0.046 0.000 0.837 320 G HN 0.545 nan 8.290 nan 0.000 0.518 321 G N 0.799 109.560 108.800 -0.065 0.000 2.322 321 G HA2 0.490 4.451 3.960 0.001 0.000 0.309 321 G HA3 0.490 4.451 3.960 0.001 0.000 0.309 321 G C -0.080 174.773 174.900 -0.078 0.000 1.121 321 G CA -0.630 44.431 45.100 -0.064 0.000 0.886 321 G HN 0.591 nan 8.290 nan 0.000 0.447 322 L N 3.258 124.426 121.223 -0.092 0.000 2.380 322 L HA 0.249 4.590 4.340 0.001 0.000 0.273 322 L C -1.574 175.284 176.870 -0.021 0.000 1.138 322 L CA -1.495 53.303 54.840 -0.069 0.000 0.832 322 L CB 1.257 43.274 42.059 -0.071 0.000 1.124 322 L HN 0.348 nan 8.230 nan 0.000 0.454 323 P HA -0.027 nan 4.420 nan 0.000 0.267 323 P C 0.282 177.593 177.300 0.019 0.000 1.200 323 P CA -0.142 62.964 63.100 0.009 0.000 0.772 323 P CB 0.686 32.395 31.700 0.015 0.000 0.855 324 E N 1.879 122.090 120.200 0.018 0.000 2.110 324 E HA -0.236 4.114 4.350 0.001 0.000 0.193 324 E C 1.390 178.009 176.600 0.032 0.000 0.988 324 E CA 1.766 58.181 56.400 0.024 0.000 0.804 324 E CB -0.306 29.406 29.700 0.020 0.000 0.745 324 E HN 0.545 nan 8.360 nan 0.000 0.458 325 D N 0.332 120.750 120.400 0.029 0.000 2.149 325 D HA -0.221 4.419 4.640 0.001 0.000 0.198 325 D C 1.975 178.301 176.300 0.044 0.000 0.990 325 D CA 1.078 55.097 54.000 0.032 0.000 0.839 325 D CB -0.506 40.310 40.800 0.026 0.000 0.948 325 D HN 0.357 nan 8.370 nan 0.000 0.460 326 L N -0.180 121.075 121.223 0.053 0.000 2.179 326 L HA -0.009 4.331 4.340 0.001 0.000 0.208 326 L C 3.314 180.243 176.870 0.099 0.000 1.096 326 L CA 1.181 56.067 54.840 0.077 0.000 0.779 326 L CB -0.557 41.556 42.059 0.090 0.000 0.922 326 L HN 0.092 nan 8.230 nan 0.000 0.443 327 R N 0.233 120.784 120.500 0.086 0.000 2.096 327 R HA -0.130 4.211 4.340 0.001 0.000 0.235 327 R C 2.295 178.647 176.300 0.086 0.000 1.127 327 R CA 1.683 57.840 56.100 0.095 0.000 0.968 327 R CB -1.469 28.872 30.300 0.067 0.000 0.861 327 R HN 0.255 nan 8.270 nan 0.000 0.440 328 R N 0.742 121.282 120.500 0.067 0.000 2.148 328 R HA -0.073 4.267 4.340 0.001 0.000 0.223 328 R C 2.879 179.215 176.300 0.060 0.000 1.088 328 R CA 1.410 57.545 56.100 0.058 0.000 0.985 328 R CB -0.844 29.483 30.300 0.044 0.000 0.880 328 R HN 0.949 nan 8.270 nan 0.000 0.451 329 S N 0.153 115.890 115.700 0.063 0.000 2.474 329 S HA 0.045 4.516 4.470 0.001 0.000 0.235 329 S C 0.897 175.539 174.600 0.070 0.000 0.997 329 S CA 0.655 58.889 58.200 0.057 0.000 0.949 329 S CB -0.357 62.876 63.200 0.055 0.000 0.766 329 S HN 0.420 nan 8.310 nan 0.000 0.517 330 I N 1.984 122.607 120.570 0.087 0.000 2.281 330 I HA 0.336 4.506 4.170 0.001 0.000 0.293 330 I C 1.302 177.478 176.117 0.098 0.000 1.085 330 I CA -0.374 60.984 61.300 0.097 0.000 1.257 330 I CB 1.111 39.178 38.000 0.111 0.000 1.430 330 I HN 0.225 nan 8.210 nan 0.000 0.489 331 A N 5.067 127.950 122.820 0.104 0.000 2.014 331 A HA 0.434 4.754 4.320 0.001 0.000 0.218 331 A C 1.137 178.781 177.584 0.099 0.000 1.163 331 A CA 1.111 53.208 52.037 0.099 0.000 0.652 331 A CB -0.140 18.927 19.000 0.112 0.000 0.808 331 A HN 0.813 nan 8.150 nan 0.000 0.449 332 G N -2.218 106.648 108.800 0.110 0.000 2.316 332 G HA2 0.492 4.452 3.960 0.001 0.000 0.296 332 G HA3 0.492 4.452 3.960 0.001 0.000 0.296 332 G C -0.793 174.179 174.900 0.120 0.000 1.399 332 G CA 0.089 45.253 45.100 0.107 0.000 0.833 332 G HN 1.149 nan 8.290 nan 0.000 0.565 333 S N -0.970 114.805 115.700 0.125 0.000 2.570 333 S HA 0.936 5.406 4.470 0.001 0.000 0.286 333 S C -0.441 174.238 174.600 0.131 0.000 1.099 333 S CA -0.514 57.778 58.200 0.153 0.000 0.913 333 S CB 2.510 65.825 63.200 0.191 0.000 1.085 333 S HN 1.624 nan 8.310 nan 0.000 0.480 334 R N 0.489 121.047 120.500 0.097 0.000 2.663 334 R HA 0.699 5.040 4.340 0.001 0.000 0.267 334 R C -2.179 173.950 176.300 -0.286 0.000 1.038 334 R CA -1.091 54.990 56.100 -0.032 0.000 0.886 334 R CB 0.898 31.199 30.300 0.002 0.000 1.249 334 R HN 0.572 nan 8.270 nan 0.000 0.463 335 L N 2.705 123.647 121.223 -0.468 0.000 2.282 335 L HA 0.597 4.938 4.340 0.001 0.000 0.288 335 L C -0.677 175.887 176.870 -0.510 0.000 1.033 335 L CA -0.410 53.963 54.840 -0.779 0.000 0.807 335 L CB 1.738 43.292 42.059 -0.843 0.000 1.209 335 L HN 0.629 nan 8.230 nan 0.000 0.423 336 V N 1.522 121.060 119.914 -0.627 0.000 3.001 336 V HA 0.689 4.809 4.120 0.001 0.000 0.314 336 V C -1.514 174.140 176.094 -0.734 0.000 1.099 336 V CA -0.823 61.154 62.300 -0.538 0.000 0.989 336 V CB 1.832 33.287 31.823 -0.613 0.000 1.040 336 V HN 0.815 nan 8.190 nan 0.000 0.434 337 W N 1.654 122.716 121.300 -0.396 0.000 2.338 337 W HA 0.724 5.384 4.660 0.001 0.000 0.315 337 W C -0.642 175.673 176.519 -0.340 0.000 1.005 337 W CA -0.632 56.508 57.345 -0.343 0.000 1.380 337 W CB 1.844 31.149 29.460 -0.259 0.000 1.235 337 W HN 0.514 nan 8.180 nan 0.000 0.409 338 V N 2.832 122.629 119.914 -0.195 0.000 2.407 338 V HA 0.139 4.259 4.120 0.001 0.000 0.278 338 V C 0.397 176.493 176.094 0.004 0.000 1.037 338 V CA -1.034 61.170 62.300 -0.160 0.000 0.900 338 V CB 1.300 33.010 31.823 -0.187 0.000 0.983 338 V HN 0.458 nan 8.190 nan 0.000 0.459 339 E N 3.193 123.423 120.200 0.049 0.000 2.324 339 E HA 0.229 4.580 4.350 0.001 0.000 0.271 339 E C 0.101 176.763 176.600 0.103 0.000 1.028 339 E CA 0.029 56.467 56.400 0.063 0.000 0.890 339 E CB 0.783 30.518 29.700 0.059 0.000 1.004 339 E HN 0.737 nan 8.360 nan 0.000 0.431 340 S N 2.731 118.495 115.700 0.107 0.000 2.677 340 S HA 0.207 4.678 4.470 0.001 0.000 0.290 340 S C 0.833 175.499 174.600 0.110 0.000 1.124 340 S CA -0.514 57.791 58.200 0.174 0.000 1.017 340 S CB 0.206 63.563 63.200 0.262 0.000 1.215 340 S HN 0.584 nan 8.310 nan 0.000 0.524 341 F N 1.127 121.142 119.950 0.109 0.000 2.269 341 F HA 0.093 4.620 4.527 0.001 0.000 0.301 341 F C 1.307 177.153 175.800 0.077 0.000 1.082 341 F CA 1.285 59.334 58.000 0.081 0.000 1.360 341 F CB -0.360 38.683 39.000 0.071 0.000 1.041 341 F HN 0.472 nan 8.300 nan 0.000 0.512 342 D N -1.002 118.917 120.400 -0.802 0.000 2.440 342 D HA 0.239 4.879 4.640 0.001 0.000 0.216 342 D C 1.748 177.902 176.300 -0.243 0.000 1.150 342 D CA 0.243 53.907 54.000 -0.559 0.000 0.832 342 D CB 0.053 40.356 40.800 -0.828 0.000 0.992 342 D HN 0.452 nan 8.370 nan 0.000 0.502 343 G N 0.038 108.750 108.800 -0.147 0.000 2.179 343 G HA2 -0.293 3.667 3.960 0.001 0.000 0.260 343 G HA3 -0.293 3.667 3.960 0.001 0.000 0.260 343 G C 0.430 175.298 174.900 -0.054 0.000 0.977 343 G CA 0.257 45.316 45.100 -0.068 0.000 0.641 343 G HN 0.420 nan 8.290 nan 0.000 0.533 344 S N 1.118 116.787 115.700 -0.051 0.000 2.568 344 S HA 0.488 4.959 4.470 0.001 0.000 0.282 344 S C 0.666 175.260 174.600 -0.011 0.000 1.338 344 S CA -0.196 58.011 58.200 0.013 0.000 1.045 344 S CB 0.743 64.087 63.200 0.240 0.000 0.873 344 S HN 0.392 nan 8.310 nan 0.000 0.516 345 R N 2.060 122.494 120.500 -0.110 0.000 2.229 345 R HA 0.343 4.684 4.340 0.001 0.000 0.328 345 R C -1.085 175.119 176.300 -0.161 0.000 1.009 345 R CA -0.455 55.616 56.100 -0.048 0.000 0.864 345 R CB 0.916 31.225 30.300 0.016 0.000 1.085 345 R HN 0.363 nan 8.270 nan 0.000 0.453 346 V N 6.572 126.440 119.914 -0.077 0.000 2.334 346 V HA 0.215 4.336 4.120 0.001 0.000 0.267 346 V C -1.947 173.927 176.094 -0.367 0.000 1.040 346 V CA -1.952 60.276 62.300 -0.121 0.000 0.866 346 V CB 1.301 33.190 31.823 0.110 0.000 1.019 346 V HN 0.542 nan 8.190 nan 0.000 0.468 347 P HA 0.229 nan 4.420 nan 0.000 0.271 347 P C -0.337 176.560 177.300 -0.673 0.000 1.233 347 P CA 0.130 62.497 63.100 -1.221 0.000 0.764 347 P CB 0.500 31.062 31.700 -1.898 0.000 0.825 348 T N 3.972 118.139 114.554 -0.645 0.000 2.906 348 T HA 0.281 4.631 4.350 0.001 0.000 0.302 348 T C -0.606 173.880 174.700 -0.356 0.000 1.002 348 T CA -0.215 61.675 62.100 -0.350 0.000 0.988 348 T CB 0.114 68.761 68.868 -0.369 0.000 0.972 348 T HN 0.117 nan 8.240 nan 0.000 0.447 349 Y N 2.004 122.204 120.300 -0.167 0.000 2.359 349 Y HA 0.427 4.978 4.550 0.001 0.000 0.330 349 Y C 0.364 176.244 175.900 -0.033 0.000 1.143 349 Y CA -0.212 57.829 58.100 -0.098 0.000 1.318 349 Y CB 0.823 39.252 38.460 -0.052 0.000 1.234 349 Y HN 0.307 nan 8.280 nan 0.000 0.522 350 V N 5.925 125.904 119.914 0.108 0.000 2.407 350 V HA 0.240 4.361 4.120 0.001 0.000 0.291 350 V C -0.924 175.273 176.094 0.173 0.000 1.018 350 V CA -0.876 61.515 62.300 0.151 0.000 0.842 350 V CB 1.526 33.446 31.823 0.162 0.000 0.996 350 V HN 0.435 nan 8.190 nan 0.000 0.426 351 L N 4.644 125.974 121.223 0.179 0.000 2.265 351 L HA 0.509 4.849 4.340 0.001 0.000 0.289 351 L C 0.168 177.167 176.870 0.215 0.000 1.033 351 L CA 0.195 55.133 54.840 0.162 0.000 0.814 351 L CB 1.180 43.304 42.059 0.109 0.000 1.203 351 L HN 0.787 nan 8.230 nan 0.000 0.423 352 E N 2.942 123.268 120.200 0.211 0.000 2.259 352 E HA 0.193 4.543 4.350 0.001 0.000 0.281 352 E C -0.772 176.001 176.600 0.288 0.000 1.027 352 E CA -0.324 56.262 56.400 0.310 0.000 0.838 352 E CB 1.041 30.849 29.700 0.180 0.000 1.066 352 E HN 0.629 nan 8.360 nan 0.000 0.401 353 S N 2.647 118.549 115.700 0.336 0.000 2.499 353 S HA 0.261 4.731 4.470 0.001 0.000 0.275 353 S C 0.916 175.569 174.600 0.088 0.000 1.257 353 S CA -0.075 58.176 58.200 0.084 0.000 1.050 353 S CB 0.919 64.042 63.200 -0.128 0.000 0.937 353 S HN 0.677 nan 8.310 nan 0.000 0.490 354 G N 3.902 112.744 108.800 0.069 0.000 2.956 354 G HA2 0.051 4.012 3.960 0.001 0.000 0.207 354 G HA3 0.051 4.012 3.960 0.001 0.000 0.207 354 G C 0.973 175.882 174.900 0.015 0.000 1.162 354 G CA -0.204 44.929 45.100 0.055 0.000 0.796 354 G HN 0.742 nan 8.290 nan 0.000 0.527 355 R N -0.519 119.967 120.500 -0.024 0.000 2.543 355 R HA 0.468 4.808 4.340 0.001 0.000 0.323 355 R C 0.203 176.430 176.300 -0.122 0.000 1.002 355 R CA 0.024 56.089 56.100 -0.057 0.000 1.106 355 R CB 0.999 31.269 30.300 -0.051 0.000 1.280 355 R HN 0.225 nan 8.270 nan 0.000 0.549 356 A N 1.781 124.507 122.820 -0.156 0.000 2.435 356 A HA 0.641 4.961 4.320 0.001 0.000 0.304 356 A C -2.563 174.990 177.584 -0.052 0.000 1.064 356 A CA -1.676 50.227 52.037 -0.224 0.000 0.727 356 A CB 1.293 19.958 19.000 -0.560 0.000 1.284 356 A HN -0.121 nan 8.150 nan 0.000 0.415 357 P HA 0.407 nan 4.420 nan 0.000 0.275 357 P C -0.548 176.877 177.300 0.208 0.000 1.266 357 P CA 0.009 63.154 63.100 0.076 0.000 0.793 357 P CB 0.702 32.419 31.700 0.029 0.000 1.074 358 T N 1.792 116.425 114.554 0.132 0.000 2.815 358 T HA 0.396 4.747 4.350 0.001 0.000 0.289 358 T C -2.125 172.589 174.700 0.023 0.000 1.000 358 T CA -0.931 61.218 62.100 0.082 0.000 0.958 358 T CB 0.632 69.504 68.868 0.007 0.000 0.944 358 T HN 0.406 nan 8.240 nan 0.000 0.442 359 P HA 0.585 nan 4.420 nan 0.000 0.274 359 P C -0.168 177.191 177.300 0.098 0.000 1.231 359 P CA -0.267 62.848 63.100 0.024 0.000 0.790 359 P CB 1.091 32.783 31.700 -0.012 0.000 0.951 360 G N 0.786 109.703 108.800 0.196 0.000 2.708 360 G HA2 0.560 4.521 3.960 0.001 0.000 0.289 360 G HA3 0.560 4.521 3.960 0.001 0.000 0.289 360 G C -3.257 171.756 174.900 0.189 0.000 1.416 360 G CA -1.534 43.672 45.100 0.176 0.000 0.829 360 G HN 0.236 nan 8.290 nan 0.000 0.480 361 P HA 0.297 nan 4.420 nan 0.000 0.265 361 P C -0.430 177.089 177.300 0.366 0.000 1.193 361 P CA 0.398 63.622 63.100 0.206 0.000 0.765 361 P CB 0.973 32.675 31.700 0.003 0.000 0.823 362 T N 2.212 117.064 114.554 0.496 0.000 2.971 362 T HA 0.375 4.726 4.350 0.001 0.000 0.304 362 T C -0.789 174.201 174.700 0.484 0.000 1.038 362 T CA -0.392 61.987 62.100 0.466 0.000 1.007 362 T CB 1.141 70.216 68.868 0.344 0.000 1.055 362 T HN -0.048 nan 8.240 nan 0.000 0.451 363 V N 3.451 123.601 119.914 0.393 0.000 2.384 363 V HA 0.373 4.494 4.120 0.001 0.000 0.287 363 V C 0.014 176.248 176.094 0.233 0.000 1.020 363 V CA -0.788 61.674 62.300 0.270 0.000 0.850 363 V CB 1.846 33.707 31.823 0.064 0.000 0.987 363 V HN 0.751 nan 8.190 nan 0.000 0.436 364 V N 6.614 126.663 119.914 0.225 0.000 2.370 364 V HA 0.187 4.307 4.120 0.001 0.000 0.257 364 V C 0.019 176.170 176.094 0.094 0.000 1.064 364 V CA -0.164 62.256 62.300 0.200 0.000 0.975 364 V CB 0.894 32.891 31.823 0.290 0.000 1.067 364 V HN 0.611 nan 8.190 nan 0.000 0.485 365 L N 7.843 129.136 121.223 0.117 0.000 2.268 365 L HA 0.438 4.779 4.340 0.001 0.000 0.289 365 L C -0.085 176.859 176.870 0.123 0.000 1.064 365 L CA 0.462 55.359 54.840 0.095 0.000 0.824 365 L CB 1.128 43.243 42.059 0.093 0.000 1.202 365 L HN 0.395 nan 8.230 nan 0.000 0.433 366 V N 5.126 125.102 119.914 0.104 0.000 2.439 366 V HA 0.306 4.427 4.120 0.001 0.000 0.282 366 V C -0.034 176.174 176.094 0.191 0.000 1.039 366 V CA -0.740 61.646 62.300 0.143 0.000 0.913 366 V CB 0.951 32.807 31.823 0.055 0.000 0.983 366 V HN 0.921 nan 8.190 nan 0.000 0.460 367 H N 2.408 121.665 119.070 0.311 0.000 2.547 367 H HA 0.710 5.266 4.556 0.001 0.000 0.362 367 H C 0.471 175.998 175.328 0.331 0.000 1.181 367 H CA 0.021 56.198 56.048 0.215 0.000 1.376 367 H CB 0.742 30.572 29.762 0.113 0.000 1.488 367 H HN 0.700 nan 8.280 nan 0.000 0.583 368 G N -0.842 108.215 108.800 0.429 0.000 2.563 368 G HA2 0.487 4.448 3.960 0.001 0.000 0.283 368 G HA3 0.487 4.448 3.960 0.001 0.000 0.283 368 G C 0.448 175.614 174.900 0.443 0.000 1.309 368 G CA -0.375 44.973 45.100 0.413 0.000 1.022 368 G HN 1.252 nan 8.290 nan 0.000 0.501 369 G N -0.812 108.173 108.800 0.308 0.000 1.676 369 G HA2 -0.104 3.856 3.960 0.001 0.000 0.199 369 G HA3 -0.104 3.856 3.960 0.001 0.000 0.199 369 G C -1.250 173.640 174.900 -0.018 0.000 1.990 369 G CA 0.564 45.748 45.100 0.139 0.000 1.393 369 G HN 0.702 nan 8.290 nan 0.000 0.449 370 P HA 0.197 nan 4.420 nan 0.000 0.236 370 P C 0.471 177.792 177.300 0.035 0.000 1.177 370 P CA 0.295 63.230 63.100 -0.275 0.000 0.773 370 P CB -0.221 31.043 31.700 -0.726 0.000 0.878 371 F N 1.366 121.372 119.950 0.093 0.000 2.685 371 F HA 0.366 4.894 4.527 0.001 0.000 0.349 371 F C 1.204 177.027 175.800 0.038 0.000 1.294 371 F CA -0.664 57.388 58.000 0.087 0.000 1.201 371 F CB -0.301 38.775 39.000 0.127 0.000 1.615 371 F HN 0.034 nan 8.300 nan 0.000 0.674 372 A N 2.586 125.500 122.820 0.155 0.000 2.557 372 A HA 0.752 5.073 4.320 0.001 0.000 0.292 372 A C -1.151 176.178 177.584 -0.424 0.000 1.139 372 A CA -0.853 51.145 52.037 -0.065 0.000 0.665 372 A CB 1.966 20.951 19.000 -0.026 0.000 1.285 372 A HN 0.514 nan 8.150 nan 0.000 0.433 373 E N 0.344 120.264 120.200 -0.466 0.000 2.413 373 E HA 0.481 4.831 4.350 0.001 0.000 0.277 373 E C -1.867 174.509 176.600 -0.374 0.000 0.958 373 E CA -0.830 55.254 56.400 -0.528 0.000 0.779 373 E CB 1.778 31.409 29.700 -0.115 0.000 1.278 373 E HN 0.383 nan 8.360 nan 0.000 0.456 374 D N 2.087 122.355 120.400 -0.219 0.000 2.339 374 D HA 0.208 4.848 4.640 0.001 0.000 0.241 374 D C -0.395 175.832 176.300 -0.122 0.000 1.183 374 D CA 0.185 54.135 54.000 -0.083 0.000 0.859 374 D CB 1.418 42.274 40.800 0.092 0.000 1.067 374 D HN 0.499 nan 8.370 nan 0.000 0.484 375 S N 1.000 116.499 115.700 -0.336 0.000 2.806 375 S HA 0.272 4.743 4.470 0.001 0.000 0.315 375 S C -0.102 173.921 174.600 -0.962 0.000 1.127 375 S CA -0.944 56.928 58.200 -0.547 0.000 0.918 375 S CB 1.917 64.964 63.200 -0.255 0.000 1.240 375 S HN 0.153 nan 8.310 nan 0.000 0.552 376 D N 1.015 120.889 120.400 -0.876 0.000 2.600 376 D HA 0.422 5.062 4.640 0.001 0.000 0.226 376 D C -0.841 175.294 176.300 -0.274 0.000 1.119 376 D CA 0.265 53.950 54.000 -0.525 0.000 1.051 376 D CB -0.882 39.815 40.800 -0.171 0.000 1.106 376 D HN 0.422 nan 8.370 nan 0.000 0.491 377 S N 1.834 117.375 115.700 -0.264 0.000 2.546 377 S HA 0.228 4.699 4.470 0.001 0.000 0.274 377 S C -0.904 173.647 174.600 -0.081 0.000 1.121 377 S CA -0.955 57.154 58.200 -0.151 0.000 0.887 377 S CB 1.319 64.428 63.200 -0.152 0.000 1.094 377 S HN 0.399 nan 8.310 nan 0.000 0.474 378 W N 3.756 124.951 121.300 -0.176 0.000 2.343 378 W HA 0.098 4.758 4.660 -0.000 0.000 0.337 378 W C -0.933 175.517 176.519 -0.115 0.000 1.320 378 W CA 0.967 58.232 57.345 -0.133 0.000 1.290 378 W CB 0.323 29.702 29.460 -0.135 0.000 1.206 378 W HN 0.598 nan 8.180 nan 0.000 0.565 379 D N 4.655 124.508 120.400 -0.912 0.000 2.575 379 D HA 0.141 4.782 4.640 0.001 0.000 0.250 379 D C 0.721 176.470 176.300 -0.918 0.000 1.279 379 D CA -0.330 53.276 54.000 -0.658 0.000 0.925 379 D CB 1.623 42.201 40.800 -0.371 0.000 1.261 379 D HN 0.292 nan 8.370 nan 0.000 0.567 380 T N 2.767 116.998 114.554 -0.538 0.000 2.777 380 T HA -0.094 4.257 4.350 0.001 0.000 0.266 380 T C 1.652 176.299 174.700 -0.089 0.000 1.040 380 T CA 0.898 62.862 62.100 -0.227 0.000 1.141 380 T CB -0.196 68.730 68.868 0.097 0.000 0.868 380 T HN 0.359 nan 8.240 nan 0.000 0.444 381 F N 1.976 121.757 119.950 -0.281 0.000 2.095 381 F HA -0.030 4.498 4.527 0.001 0.000 0.298 381 F C 2.712 178.392 175.800 -0.200 0.000 1.104 381 F CA 0.594 58.467 58.000 -0.211 0.000 1.232 381 F CB -1.308 37.584 39.000 -0.180 0.000 0.987 381 F HN 0.146 nan 8.300 nan 0.000 0.475 382 A N -0.201 122.596 122.820 -0.038 0.000 1.902 382 A HA -0.038 4.283 4.320 0.001 0.000 0.217 382 A C 2.424 179.927 177.584 -0.136 0.000 1.181 382 A CA 1.857 53.842 52.037 -0.087 0.000 0.623 382 A CB -1.311 17.606 19.000 -0.138 0.000 0.818 382 A HN 0.310 nan 8.150 nan 0.000 0.443 383 A N 0.255 122.899 122.820 -0.293 0.000 1.930 383 A HA -0.061 4.259 4.320 0.001 0.000 0.217 383 A C 2.490 180.026 177.584 -0.081 0.000 1.175 383 A CA 2.219 54.100 52.037 -0.260 0.000 0.627 383 A CB -0.857 17.823 19.000 -0.532 0.000 0.815 383 A HN 0.948 nan 8.150 nan 0.000 0.443 384 S N -0.050 115.599 115.700 -0.085 0.000 2.406 384 S HA -0.022 4.449 4.470 0.001 0.000 0.228 384 S C 1.879 176.477 174.600 -0.002 0.000 1.020 384 S CA 1.170 59.340 58.200 -0.050 0.000 0.965 384 S CB -0.673 62.453 63.200 -0.124 0.000 0.798 384 S HN 0.438 nan 8.310 nan 0.000 0.488 385 L N 1.450 122.668 121.223 -0.008 0.000 2.017 385 L HA -0.050 4.291 4.340 0.001 0.000 0.208 385 L C 3.243 180.224 176.870 0.185 0.000 1.073 385 L CA 1.309 56.195 54.840 0.076 0.000 0.745 385 L CB -0.930 41.134 42.059 0.008 0.000 0.894 385 L HN 0.471 nan 8.230 nan 0.000 0.432 386 A N 0.031 122.908 122.820 0.095 0.000 1.902 386 A HA -0.182 4.138 4.320 0.001 0.000 0.217 386 A C 2.513 180.133 177.584 0.061 0.000 1.181 386 A CA 1.771 53.856 52.037 0.080 0.000 0.623 386 A CB -0.682 18.352 19.000 0.056 0.000 0.818 386 A HN 0.419 nan 8.150 nan 0.000 0.443 387 A N -0.355 122.501 122.820 0.060 0.000 1.933 387 A HA 0.229 4.550 4.320 0.001 0.000 0.218 387 A C 2.251 179.867 177.584 0.053 0.000 1.175 387 A CA 1.751 53.820 52.037 0.052 0.000 0.628 387 A CB -0.739 18.291 19.000 0.051 0.000 0.814 387 A HN 1.114 nan 8.150 nan 0.000 0.444 388 A N -1.625 121.261 122.820 0.110 0.000 2.259 388 A HA 0.426 4.746 4.320 0.001 0.000 0.208 388 A C 1.550 179.119 177.584 -0.025 0.000 1.201 388 A CA 1.059 53.177 52.037 0.135 0.000 0.824 388 A CB -1.007 18.180 19.000 0.311 0.000 0.838 388 A HN 1.911 nan 8.150 nan 0.000 0.485 389 G N -1.639 107.109 108.800 -0.086 0.000 2.165 389 G HA2 -0.208 3.752 3.960 0.001 0.000 0.226 389 G HA3 -0.208 3.752 3.960 0.001 0.000 0.226 389 G C -0.294 174.284 174.900 -0.538 0.000 1.035 389 G CA -0.004 44.918 45.100 -0.298 0.000 0.744 389 G HN 0.347 nan 8.290 nan 0.000 0.501 390 F N 1.133 121.018 119.950 -0.108 0.000 2.482 390 F HA 0.553 5.080 4.527 0.000 0.000 0.331 390 F C 0.913 176.659 175.800 -0.091 0.000 1.115 390 F CA -1.200 56.751 58.000 -0.082 0.000 0.955 390 F CB 1.159 40.166 39.000 0.011 0.000 1.136 390 F HN 0.075 nan 8.300 nan 0.000 0.452 391 H N 1.775 120.997 119.070 0.253 0.000 2.771 391 H HA 0.426 4.983 4.556 0.001 0.000 0.364 391 H C -0.475 174.993 175.328 0.233 0.000 1.133 391 H CA -0.021 56.149 56.048 0.203 0.000 1.423 391 H CB 1.254 31.116 29.762 0.167 0.000 1.425 391 H HN 0.283 nan 8.280 nan 0.000 0.606 392 V N 2.790 122.897 119.914 0.322 0.000 2.531 392 V HA 0.237 4.357 4.120 0.001 0.000 0.301 392 V C -0.063 176.171 176.094 0.233 0.000 1.034 392 V CA -0.796 61.646 62.300 0.237 0.000 0.865 392 V CB 1.918 33.833 31.823 0.153 0.000 0.995 392 V HN 0.408 nan 8.190 nan 0.000 0.424 393 V N 5.876 125.934 119.914 0.239 0.000 2.448 393 V HA 0.556 4.677 4.120 0.001 0.000 0.295 393 V C -0.156 176.058 176.094 0.200 0.000 1.025 393 V CA -0.368 62.076 62.300 0.240 0.000 0.859 393 V CB 1.828 33.842 31.823 0.317 0.000 0.988 393 V HN 0.912 nan 8.190 nan 0.000 0.431 394 M N 7.439 127.142 119.600 0.171 0.000 1.986 394 M HA 0.322 4.802 4.480 0.001 0.000 0.247 394 M C -2.913 173.494 176.300 0.179 0.000 0.851 394 M CA -1.342 54.066 55.300 0.180 0.000 0.785 394 M CB 2.231 34.928 32.600 0.162 0.000 1.554 394 M HN 0.340 nan 8.290 nan 0.000 0.361 395 P HA 0.129 nan 4.420 nan 0.000 0.287 395 P C -0.981 176.469 177.300 0.250 0.000 1.294 395 P CA -0.220 62.987 63.100 0.178 0.000 0.776 395 P CB 0.566 32.404 31.700 0.231 0.000 0.889 396 N N 3.859 122.647 118.700 0.146 0.000 2.739 396 N HA 0.036 4.776 4.740 0.001 0.000 0.266 396 N C 0.248 175.967 175.510 0.349 0.000 1.168 396 N CA -0.051 53.115 53.050 0.193 0.000 1.055 396 N CB -0.426 38.109 38.487 0.080 0.000 1.393 396 N HN 0.468 nan 8.380 nan 0.000 0.514 397 Y N 0.127 120.653 120.300 0.378 0.000 2.550 397 Y HA 0.065 4.616 4.550 0.000 0.000 0.343 397 Y C 1.134 177.095 175.900 0.101 0.000 1.245 397 Y CA -1.344 56.931 58.100 0.292 0.000 1.462 397 Y CB 0.318 38.858 38.460 0.134 0.000 1.340 397 Y HN 0.290 nan 8.280 nan 0.000 0.604 398 R N 1.337 121.666 120.500 -0.286 0.000 2.537 398 R HA 0.339 4.679 4.340 0.001 0.000 0.281 398 R C 0.776 176.921 176.300 -0.257 0.000 0.988 398 R CA 0.649 56.042 56.100 -1.179 0.000 1.077 398 R CB -0.409 29.128 30.300 -1.272 0.000 0.932 398 R HN 1.358 nan 8.270 nan 0.000 0.409 399 G N 1.759 110.427 108.800 -0.221 0.000 2.352 399 G HA2 -0.249 3.711 3.960 0.001 0.000 0.204 399 G HA3 -0.249 3.711 3.960 0.001 0.000 0.204 399 G C -0.109 174.937 174.900 0.242 0.000 1.004 399 G CA -0.001 45.179 45.100 0.133 0.000 0.648 399 G HN 0.654 nan 8.290 nan 0.000 0.491 400 S N 1.833 117.592 115.700 0.098 0.000 2.572 400 S HA 0.531 5.001 4.470 0.001 0.000 0.279 400 S C 0.967 175.749 174.600 0.304 0.000 1.341 400 S CA 0.514 58.835 58.200 0.202 0.000 1.043 400 S CB 1.142 64.498 63.200 0.261 0.000 0.887 400 S HN 1.120 nan 8.310 nan 0.000 0.516 401 T N -0.681 114.002 114.554 0.215 0.000 2.788 401 T HA 0.610 4.961 4.350 0.001 0.000 0.280 401 T C 1.289 176.098 174.700 0.180 0.000 0.984 401 T CA -0.049 62.153 62.100 0.169 0.000 0.972 401 T CB 0.735 69.658 68.868 0.093 0.000 1.039 401 T HN 1.162 nan 8.240 nan 0.000 0.530 402 G N -0.210 108.615 108.800 0.042 0.000 2.232 402 G HA2 -0.227 3.733 3.960 0.001 0.000 0.226 402 G HA3 -0.227 3.733 3.960 0.001 0.000 0.226 402 G C 0.242 174.809 174.900 -0.556 0.000 0.996 402 G CA 0.233 45.189 45.100 -0.239 0.000 0.626 402 G HN 0.785 nan 8.290 nan 0.000 0.509 403 Y N 0.960 121.334 120.300 0.124 0.000 2.738 403 Y HA 0.502 5.053 4.550 0.001 0.000 0.249 403 Y C 1.223 177.198 175.900 0.124 0.000 1.153 403 Y CA 0.344 58.503 58.100 0.098 0.000 1.165 403 Y CB 1.250 39.717 38.460 0.012 0.000 1.235 403 Y HN 1.225 nan 8.280 nan 0.000 0.559 404 G N 0.537 109.448 108.800 0.184 0.000 2.587 404 G HA2 -0.210 3.750 3.960 0.001 0.000 0.686 404 G HA3 -0.210 3.750 3.960 0.001 0.000 0.686 404 G C 0.093 175.089 174.900 0.159 0.000 1.236 404 G CA -0.256 44.928 45.100 0.140 0.000 0.820 404 G HN 0.148 nan 8.290 nan 0.000 0.645 405 E N -0.113 120.133 120.200 0.076 0.000 2.085 405 E HA -0.152 4.198 4.350 0.001 0.000 0.194 405 E C 2.109 178.763 176.600 0.089 0.000 0.994 405 E CA 2.370 58.794 56.400 0.041 0.000 0.801 405 E CB -0.101 29.591 29.700 -0.013 0.000 0.743 405 E HN 0.662 nan 8.360 nan 0.000 0.453 406 E N -0.475 119.800 120.200 0.126 0.000 2.051 406 E HA -0.211 4.139 4.350 0.001 0.000 0.192 406 E C 1.884 178.620 176.600 0.227 0.000 0.991 406 E CA 1.236 57.725 56.400 0.148 0.000 0.799 406 E CB -0.474 29.314 29.700 0.147 0.000 0.748 406 E HN 0.561 nan 8.360 nan 0.000 0.449 407 W N 1.634 122.991 121.300 0.094 0.000 2.358 407 W HA -0.178 4.483 4.660 0.001 0.000 0.303 407 W C 2.327 178.938 176.519 0.153 0.000 1.208 407 W CA 1.301 58.722 57.345 0.128 0.000 1.274 407 W CB -0.144 29.410 29.460 0.158 0.000 1.138 407 W HN 0.076 nan 8.180 nan 0.000 0.515 408 R N 0.436 121.055 120.500 0.198 0.000 2.075 408 R HA -0.154 4.187 4.340 0.001 0.000 0.232 408 R C 2.324 178.683 176.300 0.098 0.000 1.126 408 R CA 1.500 57.670 56.100 0.116 0.000 0.963 408 R CB -0.667 29.676 30.300 0.072 0.000 0.858 408 R HN 0.237 nan 8.270 nan 0.000 0.435 409 L N 0.305 121.564 121.223 0.060 0.000 2.492 409 L HA -0.005 4.336 4.340 0.001 0.000 0.223 409 L C 1.989 178.892 176.870 0.057 0.000 1.132 409 L CA 0.591 55.472 54.840 0.069 0.000 0.850 409 L CB -0.102 41.979 42.059 0.037 0.000 0.966 409 L HN 0.148 nan 8.230 nan 0.000 0.454 410 K N 0.422 120.824 120.400 0.004 0.000 2.280 410 K HA -0.162 4.159 4.320 0.001 0.000 0.202 410 K C 1.995 178.589 176.600 -0.010 0.000 1.047 410 K CA 1.081 57.356 56.287 -0.020 0.000 0.942 410 K CB -0.008 32.429 32.500 -0.104 0.000 0.739 410 K HN 0.268 nan 8.250 nan 0.000 0.457 411 I N 1.169 121.739 120.570 0.000 0.000 2.493 411 I HA -0.134 4.037 4.170 0.001 0.000 0.254 411 I C 0.131 176.255 176.117 0.012 0.000 1.160 411 I CA 0.354 61.667 61.300 0.022 0.000 1.445 411 I CB 0.277 38.298 38.000 0.035 0.000 1.086 411 I HN -0.009 nan 8.210 nan 0.000 0.433 412 I N 2.343 122.932 120.570 0.032 0.000 2.668 412 I HA 0.014 4.185 4.170 0.001 0.000 0.285 412 I C 1.524 177.629 176.117 -0.020 0.000 1.168 412 I CA 1.235 62.536 61.300 0.001 0.000 1.424 412 I CB -0.619 37.408 38.000 0.045 0.000 1.377 412 I HN 0.509 nan 8.210 nan 0.000 0.560 413 G N 5.491 114.251 108.800 -0.066 0.000 2.179 413 G HA2 -0.259 3.701 3.960 0.001 0.000 0.260 413 G HA3 -0.259 3.701 3.960 0.001 0.000 0.260 413 G C 0.285 175.158 174.900 -0.046 0.000 0.977 413 G CA 0.358 45.420 45.100 -0.063 0.000 0.641 413 G HN 0.618 nan 8.290 nan 0.000 0.533 414 D N 0.366 120.748 120.400 -0.029 0.000 2.940 414 D HA 0.311 4.952 4.640 0.001 0.000 0.366 414 D C -2.194 174.140 176.300 0.057 0.000 1.446 414 D CA -1.016 52.991 54.000 0.010 0.000 0.780 414 D CB 1.049 41.864 40.800 0.025 0.000 1.206 414 D HN 0.296 nan 8.370 nan 0.000 0.454 415 P HA 0.064 nan 4.420 nan 0.000 0.271 415 P C 0.329 177.798 177.300 0.281 0.000 1.218 415 P CA -0.074 63.197 63.100 0.285 0.000 0.780 415 P CB 1.206 33.078 31.700 0.287 0.000 0.901 416 C N 2.224 121.672 119.300 0.246 0.000 4.056 416 C HA -0.080 4.381 4.460 0.001 0.000 0.302 416 C C 1.191 176.192 174.990 0.019 0.000 1.356 416 C CA 1.030 60.073 59.018 0.042 0.000 2.074 416 C CB -2.265 25.503 27.740 0.047 0.000 1.328 416 C HN 0.878 nan 8.230 nan 0.000 0.684 417 G N 0.060 108.861 108.800 0.000 0.000 3.341 417 G HA2 0.520 4.481 3.960 0.001 0.000 0.186 417 G HA3 0.520 4.481 3.960 0.001 0.000 0.186 417 G C 1.081 175.909 174.900 -0.120 0.000 1.430 417 G CA 0.672 45.734 45.100 -0.063 0.000 0.961 417 G HN 1.083 nan 8.290 nan 0.000 0.767 418 G N 0.758 109.520 108.800 -0.063 0.000 2.422 418 G HA2 -0.080 3.880 3.960 0.001 0.000 0.218 418 G HA3 -0.080 3.880 3.960 0.001 0.000 0.218 418 G C 1.512 176.492 174.900 0.132 0.000 1.146 418 G CA 1.786 46.909 45.100 0.039 0.000 0.769 418 G HN 0.578 nan 8.290 nan 0.000 0.547 419 E N 0.819 121.067 120.200 0.081 0.000 2.110 419 E HA -0.134 4.216 4.350 0.001 0.000 0.193 419 E C 2.380 178.987 176.600 0.012 0.000 0.988 419 E CA 1.027 57.480 56.400 0.089 0.000 0.804 419 E CB -0.604 29.144 29.700 0.080 0.000 0.745 419 E HN 0.374 nan 8.360 nan 0.000 0.458 420 L N 1.593 122.795 121.223 -0.036 0.000 2.056 420 L HA -0.090 4.250 4.340 0.001 0.000 0.207 420 L C 2.231 179.115 176.870 0.025 0.000 1.078 420 L CA 1.772 56.582 54.840 -0.049 0.000 0.749 420 L CB -0.402 41.603 42.059 -0.090 0.000 0.901 420 L HN -0.078 nan 8.230 nan 0.000 0.433 421 E N 0.094 120.301 120.200 0.012 0.000 2.118 421 E HA -0.213 4.137 4.350 0.001 0.000 0.195 421 E C 1.835 178.571 176.600 0.226 0.000 0.992 421 E CA 1.373 57.820 56.400 0.078 0.000 0.804 421 E CB -0.379 29.300 29.700 -0.035 0.000 0.741 421 E HN 0.606 nan 8.360 nan 0.000 0.458 422 D N 0.426 120.993 120.400 0.278 0.000 2.097 422 D HA -0.103 4.537 4.640 0.001 0.000 0.195 422 D C 2.188 178.647 176.300 0.265 0.000 0.989 422 D CA 0.666 54.859 54.000 0.321 0.000 0.827 422 D CB -0.311 40.734 40.800 0.408 0.000 0.966 422 D HN 0.011 nan 8.370 nan 0.000 0.456 423 V N 1.053 121.100 119.914 0.222 0.000 2.287 423 V HA -0.230 3.891 4.120 0.001 0.000 0.248 423 V C 2.474 178.718 176.094 0.250 0.000 1.053 423 V CA 1.818 64.251 62.300 0.221 0.000 1.027 423 V CB -0.529 31.371 31.823 0.128 0.000 0.646 423 V HN 0.147 nan 8.190 nan 0.000 0.447 424 S N 0.174 115.992 115.700 0.197 0.000 2.382 424 S HA -0.131 4.339 4.470 0.001 0.000 0.228 424 S C 2.173 176.850 174.600 0.128 0.000 1.027 424 S CA 1.290 59.571 58.200 0.135 0.000 0.991 424 S CB -0.441 62.803 63.200 0.074 0.000 0.823 424 S HN 0.655 nan 8.310 nan 0.000 0.469 425 A N 1.563 124.488 122.820 0.175 0.000 1.930 425 A HA 0.196 4.517 4.320 0.001 0.000 0.217 425 A C 2.343 180.061 177.584 0.224 0.000 1.175 425 A CA 1.515 53.665 52.037 0.188 0.000 0.627 425 A CB -0.971 18.153 19.000 0.207 0.000 0.815 425 A HN 0.504 nan 8.150 nan 0.000 0.443 426 A N -0.056 122.901 122.820 0.229 0.000 1.930 426 A HA 0.194 4.515 4.320 0.001 0.000 0.217 426 A C 2.487 180.284 177.584 0.356 0.000 1.175 426 A CA 1.930 54.130 52.037 0.272 0.000 0.627 426 A CB -0.973 18.156 19.000 0.215 0.000 0.815 426 A HN 0.986 nan 8.150 nan 0.000 0.443 427 A N 0.125 123.107 122.820 0.270 0.000 1.865 427 A HA -0.204 4.117 4.320 0.001 0.000 0.217 427 A C 2.252 179.895 177.584 0.098 0.000 1.191 427 A CA 1.659 53.806 52.037 0.184 0.000 0.623 427 A CB -0.521 18.461 19.000 -0.031 0.000 0.826 427 A HN 0.546 nan 8.150 nan 0.000 0.444 428 R N -2.295 118.250 120.500 0.075 0.000 2.115 428 R HA -0.170 4.170 4.340 0.001 0.000 0.230 428 R C 2.012 178.365 176.300 0.087 0.000 1.111 428 R CA 1.379 57.502 56.100 0.038 0.000 0.976 428 R CB -0.360 29.960 30.300 0.035 0.000 0.870 428 R HN 0.824 nan 8.270 nan 0.000 0.445 429 W N 1.512 122.826 121.300 0.023 0.000 2.358 429 W HA -0.142 4.518 4.660 0.000 0.000 0.303 429 W C 2.115 178.647 176.519 0.021 0.000 1.208 429 W CA 1.560 58.921 57.345 0.026 0.000 1.274 429 W CB -0.189 29.294 29.460 0.039 0.000 1.138 429 W HN 0.042 nan 8.180 nan 0.000 0.515 430 A N 0.714 123.509 122.820 -0.042 0.000 1.972 430 A HA -0.158 4.162 4.320 0.001 0.000 0.219 430 A C 2.106 179.489 177.584 -0.335 0.000 1.169 430 A CA 1.766 53.602 52.037 -0.336 0.000 0.635 430 A CB -0.859 18.202 19.000 0.102 0.000 0.810 430 A HN 0.459 nan 8.150 nan 0.000 0.446 431 R N -0.229 120.157 120.500 -0.189 0.000 2.062 431 R HA -0.096 4.244 4.340 0.001 0.000 0.229 431 R C 1.977 178.151 176.300 -0.209 0.000 1.128 431 R CA 1.603 57.607 56.100 -0.160 0.000 0.960 431 R CB -0.237 30.001 30.300 -0.104 0.000 0.855 431 R HN 0.640 nan 8.270 nan 0.000 0.432 432 E N 0.055 120.120 120.200 -0.224 0.000 2.152 432 E HA -0.124 4.227 4.350 0.001 0.000 0.192 432 E C 1.891 178.329 176.600 -0.270 0.000 0.983 432 E CA 1.422 57.708 56.400 -0.190 0.000 0.818 432 E CB 0.079 29.714 29.700 -0.108 0.000 0.758 432 E HN 0.427 nan 8.360 nan 0.000 0.467 433 S N -0.568 114.820 115.700 -0.521 0.000 2.453 433 S HA 0.022 4.493 4.470 0.001 0.000 0.231 433 S C 1.713 176.099 174.600 -0.356 0.000 1.005 433 S CA 0.664 58.540 58.200 -0.539 0.000 0.949 433 S CB 0.195 62.732 63.200 -1.106 0.000 0.774 433 S HN 0.382 nan 8.310 nan 0.000 0.510 434 G N 0.455 109.058 108.800 -0.328 0.000 2.144 434 G HA2 -0.207 3.754 3.960 0.001 0.000 0.218 434 G HA3 -0.207 3.754 3.960 0.001 0.000 0.218 434 G C 0.370 175.147 174.900 -0.205 0.000 0.988 434 G CA 0.263 45.239 45.100 -0.207 0.000 0.659 434 G HN 0.586 nan 8.290 nan 0.000 0.522 435 L N 0.803 121.844 121.223 -0.302 0.000 2.095 435 L HA 0.731 5.071 4.340 0.001 0.000 0.204 435 L C 1.720 178.516 176.870 -0.124 0.000 1.080 435 L CA 2.369 57.045 54.840 -0.273 0.000 0.759 435 L CB -0.232 41.619 42.059 -0.347 0.000 0.914 435 L HN 0.872 nan 8.230 nan 0.000 0.439 436 A N -1.276 121.491 122.820 -0.088 0.000 2.276 436 A HA 0.503 4.823 4.320 0.001 0.000 0.316 436 A C 1.073 178.658 177.584 0.002 0.000 1.229 436 A CA 0.154 52.206 52.037 0.025 0.000 0.851 436 A CB 0.542 19.560 19.000 0.030 0.000 1.165 436 A HN 0.440 nan 8.150 nan 0.000 0.513 437 S N 1.502 117.227 115.700 0.041 0.000 2.458 437 S HA 0.107 4.578 4.470 0.001 0.000 0.223 437 S C 0.444 175.040 174.600 -0.005 0.000 1.019 437 S CA 0.677 58.884 58.200 0.011 0.000 0.937 437 S CB -0.284 62.930 63.200 0.024 0.000 0.788 437 S HN 0.876 nan 8.310 nan 0.000 0.511 438 E N -0.122 120.083 120.200 0.008 0.000 2.412 438 E HA 0.634 4.985 4.350 0.001 0.000 0.279 438 E C -1.798 174.752 176.600 -0.084 0.000 0.984 438 E CA -1.076 55.281 56.400 -0.073 0.000 0.788 438 E CB 1.123 30.759 29.700 -0.105 0.000 1.277 438 E HN 0.140 nan 8.360 nan 0.000 0.455 439 L N 2.049 123.148 121.223 -0.205 0.000 2.362 439 L HA 0.551 4.891 4.340 0.001 0.000 0.275 439 L C -1.366 175.425 176.870 -0.132 0.000 0.998 439 L CA -0.802 54.026 54.840 -0.021 0.000 0.820 439 L CB 1.109 43.190 42.059 0.036 0.000 1.270 439 L HN 0.593 nan 8.230 nan 0.000 0.415 440 Y N 2.938 123.459 120.300 0.367 0.000 2.562 440 Y HA 0.612 5.163 4.550 0.002 0.000 0.343 440 Y C -0.249 175.606 175.900 -0.073 0.000 1.025 440 Y CA -0.746 57.477 58.100 0.205 0.000 1.082 440 Y CB 2.491 40.997 38.460 0.076 0.000 1.264 440 Y HN 0.374 nan 8.280 nan 0.000 0.478 441 I N 3.053 123.435 120.570 -0.314 0.000 2.530 441 I HA 0.654 4.824 4.170 0.001 0.000 0.297 441 I C -1.296 174.699 176.117 -0.203 0.000 1.011 441 I CA -0.925 60.029 61.300 -0.576 0.000 1.107 441 I CB 1.570 38.779 38.000 -1.317 0.000 1.285 441 I HN 0.824 nan 8.210 nan 0.000 0.436 442 M N 6.402 125.926 119.600 -0.126 0.000 2.413 442 M HA 0.717 5.197 4.480 0.001 0.000 0.287 442 M C -1.589 174.715 176.300 0.007 0.000 1.186 442 M CA -0.246 55.033 55.300 -0.035 0.000 0.927 442 M CB 2.224 34.820 32.600 -0.007 0.000 1.715 442 M HN 0.708 nan 8.290 nan 0.000 0.478 443 G N 2.180 111.007 108.800 0.045 0.000 2.702 443 G HA2 0.490 4.451 3.960 0.001 0.000 0.296 443 G HA3 0.490 4.451 3.960 0.001 0.000 0.296 443 G C -2.973 172.008 174.900 0.136 0.000 1.463 443 G CA -0.470 44.676 45.100 0.078 0.000 0.890 443 G HN 0.709 nan 8.290 nan 0.000 0.534 444 Y N 1.639 121.930 120.300 -0.016 0.000 2.393 444 Y HA 0.610 5.161 4.550 0.001 0.000 0.341 444 Y C 1.016 176.925 175.900 0.014 0.000 0.988 444 Y CA 0.984 59.059 58.100 -0.041 0.000 1.078 444 Y CB 2.092 40.461 38.460 -0.152 0.000 1.203 444 Y HN 1.361 nan 8.280 nan 0.000 0.453 445 S N 3.096 118.607 115.700 -0.316 0.000 4.141 445 S HA -0.414 4.056 4.470 0.001 0.000 0.622 445 S C 0.961 175.621 174.600 0.101 0.000 1.894 445 S CA 1.572 59.753 58.200 -0.032 0.000 4.238 445 S CB -1.693 61.658 63.200 0.252 0.000 0.205 445 S HN 0.940 nan 8.310 nan 0.000 0.486 446 Y N 2.452 122.825 120.300 0.123 0.000 2.315 446 Y HA 0.060 4.610 4.550 0.001 0.000 0.288 446 Y C 2.284 178.275 175.900 0.152 0.000 1.154 446 Y CA 2.431 60.630 58.100 0.167 0.000 1.229 446 Y CB -0.910 37.678 38.460 0.214 0.000 0.980 446 Y HN 0.517 nan 8.280 nan 0.000 0.540 447 G N -1.053 107.873 108.800 0.210 0.000 2.408 447 G HA2 -0.196 3.765 3.960 0.001 0.000 0.217 447 G HA3 -0.196 3.765 3.960 0.001 0.000 0.217 447 G C 1.885 176.778 174.900 -0.013 0.000 1.150 447 G CA 0.688 45.845 45.100 0.096 0.000 0.776 447 G HN 0.544 nan 8.290 nan 0.000 0.542 448 G N -0.250 108.539 108.800 -0.019 0.000 2.403 448 G HA2 -0.189 3.771 3.960 0.001 0.000 0.216 448 G HA3 -0.189 3.771 3.960 0.001 0.000 0.216 448 G C 1.584 176.424 174.900 -0.100 0.000 1.154 448 G CA 0.950 46.011 45.100 -0.066 0.000 0.784 448 G HN 0.360 nan 8.290 nan 0.000 0.538 449 Y N 1.074 121.207 120.300 -0.278 0.000 2.102 449 Y HA -0.208 4.342 4.550 0.000 0.000 0.280 449 Y C 2.727 178.417 175.900 -0.351 0.000 1.178 449 Y CA 1.815 59.681 58.100 -0.391 0.000 1.146 449 Y CB -0.132 37.951 38.460 -0.629 0.000 0.968 449 Y HN 0.090 nan 8.280 nan 0.000 0.504 450 M N -0.667 118.681 119.600 -0.420 0.000 2.159 450 M HA -0.195 4.286 4.480 0.001 0.000 0.263 450 M C 2.089 178.206 176.300 -0.305 0.000 1.063 450 M CA 1.948 56.988 55.300 -0.434 0.000 1.110 450 M CB -1.459 30.954 32.600 -0.312 0.000 1.374 450 M HN 0.268 nan 8.290 nan 0.000 0.411 451 T N 1.514 115.929 114.554 -0.232 0.000 2.684 451 T HA -0.126 4.224 4.350 0.001 0.000 0.267 451 T C 1.992 176.585 174.700 -0.178 0.000 1.036 451 T CA 1.190 63.170 62.100 -0.199 0.000 1.148 451 T CB -0.287 68.493 68.868 -0.147 0.000 0.863 451 T HN 0.321 nan 8.240 nan 0.000 0.436 452 L N 0.279 121.381 121.223 -0.202 0.000 2.083 452 L HA -0.112 4.228 4.340 0.001 0.000 0.209 452 L C 2.881 179.631 176.870 -0.200 0.000 1.083 452 L CA 0.935 55.667 54.840 -0.180 0.000 0.752 452 L CB -0.661 41.290 42.059 -0.180 0.000 0.899 452 L HN 0.406 nan 8.230 nan 0.000 0.433 453 C N -0.372 118.727 119.300 -0.334 0.000 2.440 453 C HA -0.075 4.386 4.460 0.001 0.000 0.278 453 C C 3.135 178.042 174.990 -0.137 0.000 1.295 453 C CA 0.598 59.436 59.018 -0.300 0.000 1.738 453 C CB -0.963 26.466 27.740 -0.517 0.000 1.987 453 C HN 0.606 nan 8.230 nan 0.000 0.492 454 A N 0.146 122.908 122.820 -0.098 0.000 1.902 454 A HA -0.089 4.232 4.320 0.001 0.000 0.217 454 A C 1.927 179.566 177.584 0.092 0.000 1.181 454 A CA 1.514 53.586 52.037 0.059 0.000 0.623 454 A CB -0.505 18.589 19.000 0.157 0.000 0.818 454 A HN 0.466 nan 8.150 nan 0.000 0.443 455 L N 0.119 121.369 121.223 0.045 0.000 2.217 455 L HA -0.070 4.270 4.340 0.001 0.000 0.211 455 L C 2.815 179.708 176.870 0.039 0.000 1.107 455 L CA 2.178 57.059 54.840 0.068 0.000 0.783 455 L CB -0.554 41.533 42.059 0.046 0.000 0.919 455 L HN 0.657 nan 8.230 nan 0.000 0.442 456 T N -4.909 109.652 114.554 0.012 0.000 2.939 456 T HA -0.041 4.309 4.350 0.001 0.000 0.254 456 T C 1.666 176.376 174.700 0.018 0.000 1.041 456 T CA 0.583 62.700 62.100 0.028 0.000 1.142 456 T CB -0.071 68.830 68.868 0.055 0.000 0.874 456 T HN -0.002 nan 8.240 nan 0.000 0.452 457 M N 0.627 120.231 119.600 0.005 0.000 2.501 457 M HA 0.325 4.806 4.480 0.001 0.000 0.261 457 M C 0.464 176.753 176.300 -0.019 0.000 1.129 457 M CA 0.720 56.008 55.300 -0.020 0.000 1.126 457 M CB -0.321 32.265 32.600 -0.023 0.000 1.359 457 M HN 0.135 nan 8.290 nan 0.000 0.471 458 K N 1.152 121.558 120.400 0.010 0.000 3.237 458 K HA 0.359 4.679 4.320 0.001 0.000 0.197 458 K C -2.621 173.995 176.600 0.028 0.000 1.133 458 K CA -1.431 54.863 56.287 0.012 0.000 0.944 458 K CB 0.568 33.085 32.500 0.028 0.000 0.952 458 K HN 0.098 nan 8.250 nan 0.000 0.515 459 P HA -0.010 nan 4.420 nan 0.000 0.265 459 P C 0.880 178.186 177.300 0.009 0.000 1.193 459 P CA 1.035 64.153 63.100 0.030 0.000 0.765 459 P CB 0.816 32.526 31.700 0.017 0.000 0.823 460 G N 1.761 110.572 108.800 0.018 0.000 2.241 460 G HA2 -0.323 3.638 3.960 0.001 0.000 0.244 460 G HA3 -0.323 3.638 3.960 0.001 0.000 0.244 460 G C 0.618 175.478 174.900 -0.067 0.000 0.998 460 G CA 0.305 45.397 45.100 -0.014 0.000 0.621 460 G HN 0.546 nan 8.290 nan 0.000 0.519 461 L N 0.163 121.320 121.223 -0.109 0.000 2.005 461 L HA 0.476 4.816 4.340 0.001 0.000 0.207 461 L C 1.178 177.776 176.870 -0.454 0.000 1.072 461 L CA 1.526 56.173 54.840 -0.321 0.000 0.744 461 L CB -0.482 41.305 42.059 -0.452 0.000 0.895 461 L HN 0.243 nan 8.230 nan 0.000 0.433 462 F N -0.842 119.102 119.950 -0.010 0.000 2.432 462 F HA 0.291 4.818 4.527 0.001 0.000 0.329 462 F C 1.524 177.300 175.800 -0.039 0.000 1.076 462 F CA -0.477 57.505 58.000 -0.030 0.000 1.018 462 F CB 0.978 39.994 39.000 0.026 0.000 1.201 462 F HN -0.196 nan 8.300 nan 0.000 0.489 463 K N 1.161 121.599 120.400 0.064 0.000 2.116 463 K HA 0.373 4.693 4.320 0.001 0.000 0.203 463 K C -0.046 176.669 176.600 0.193 0.000 1.052 463 K CA 0.994 57.290 56.287 0.015 0.000 0.952 463 K CB 0.209 32.575 32.500 -0.224 0.000 0.729 463 K HN 0.742 nan 8.250 nan 0.000 0.446 464 A N -0.706 122.320 122.820 0.343 0.000 2.601 464 A HA 0.617 4.938 4.320 0.001 0.000 0.291 464 A C -1.093 176.739 177.584 0.414 0.000 1.075 464 A CA -0.469 51.833 52.037 0.443 0.000 0.671 464 A CB 1.416 20.712 19.000 0.495 0.000 1.277 464 A HN 0.202 nan 8.150 nan 0.000 0.417 465 G N -0.632 108.369 108.800 0.335 0.000 2.591 465 G HA2 0.626 4.586 3.960 0.001 0.000 0.306 465 G HA3 0.626 4.586 3.960 0.001 0.000 0.306 465 G C -1.580 173.365 174.900 0.075 0.000 1.334 465 G CA -0.496 44.679 45.100 0.124 0.000 0.981 465 G HN 1.157 nan 8.290 nan 0.000 0.491 466 V N 0.776 120.690 119.914 0.000 0.000 2.448 466 V HA 0.756 4.876 4.120 0.001 0.000 0.295 466 V C 0.143 176.204 176.094 -0.055 0.000 1.025 466 V CA -0.688 61.569 62.300 -0.073 0.000 0.859 466 V CB 1.494 33.300 31.823 -0.029 0.000 0.988 466 V HN 1.160 nan 8.190 nan 0.000 0.431 467 A N 3.689 126.471 122.820 -0.064 0.000 2.363 467 A HA 0.819 5.140 4.320 0.001 0.000 0.296 467 A C 0.144 177.712 177.584 -0.026 0.000 1.237 467 A CA -0.173 51.835 52.037 -0.048 0.000 0.773 467 A CB 1.002 19.962 19.000 -0.067 0.000 1.153 467 A HN 1.015 nan 8.150 nan 0.000 0.473 468 G N 0.963 109.758 108.800 -0.010 0.000 2.379 468 G HA2 0.645 4.606 3.960 0.001 0.000 0.327 468 G HA3 0.645 4.606 3.960 0.001 0.000 0.327 468 G C 0.694 175.333 174.900 -0.435 0.000 1.145 468 G CA 0.096 45.176 45.100 -0.034 0.000 0.905 468 G HN 2.289 nan 8.290 nan 0.000 0.466 469 A N 1.008 123.416 122.820 -0.687 0.000 2.462 469 A HA -0.032 4.289 4.320 0.001 0.000 0.294 469 A C 1.169 178.449 177.584 -0.506 0.000 1.461 469 A CA 0.999 52.404 52.037 -1.053 0.000 0.765 469 A CB -2.029 16.091 19.000 -1.466 0.000 1.071 469 A HN 2.228 nan 8.150 nan 0.000 0.401 470 S N -1.034 114.554 115.700 -0.188 0.000 2.610 470 S HA 0.645 5.116 4.470 0.001 0.000 0.273 470 S C 0.170 174.739 174.600 -0.052 0.000 1.274 470 S CA -0.343 57.808 58.200 -0.081 0.000 1.023 470 S CB 1.824 64.993 63.200 -0.051 0.000 0.962 470 S HN 1.184 nan 8.310 nan 0.000 0.523 471 V N 3.290 123.098 119.914 -0.176 0.000 2.555 471 V HA 0.161 4.281 4.120 0.001 0.000 0.286 471 V C 0.780 176.704 176.094 -0.283 0.000 1.044 471 V CA -0.109 61.951 62.300 -0.400 0.000 1.026 471 V CB 1.020 32.265 31.823 -0.964 0.000 0.981 471 V HN 0.937 nan 8.190 nan 0.000 0.480 472 V N 2.171 121.893 119.914 -0.320 0.000 3.250 472 V HA 0.299 4.419 4.120 0.001 0.000 0.240 472 V C -0.019 175.915 176.094 -0.267 0.000 1.275 472 V CA 0.441 62.605 62.300 -0.228 0.000 1.206 472 V CB 0.698 32.406 31.823 -0.192 0.000 0.976 472 V HN 0.918 nan 8.190 nan 0.000 0.467 473 D N -1.797 118.403 120.400 -0.332 0.000 2.613 473 D HA 0.203 4.844 4.640 0.001 0.000 0.230 473 D C 0.024 176.196 176.300 -0.214 0.000 1.365 473 D CA -0.586 53.269 54.000 -0.242 0.000 0.976 473 D CB 0.768 41.493 40.800 -0.125 0.000 1.415 473 D HN 0.112 nan 8.370 nan 0.000 0.589 474 W N 2.203 123.483 121.300 -0.032 0.000 2.350 474 W HA -0.072 4.589 4.660 0.001 0.000 0.289 474 W C 1.843 178.385 176.519 0.038 0.000 1.215 474 W CA 0.471 57.810 57.345 -0.011 0.000 1.236 474 W CB 0.163 29.605 29.460 -0.030 0.000 1.130 474 W HN 0.491 nan 8.180 nan 0.000 0.541 475 E N 0.142 120.469 120.200 0.211 0.000 2.028 475 E HA -0.214 4.136 4.350 0.001 0.000 0.190 475 E C 1.900 178.586 176.600 0.142 0.000 0.984 475 E CA 1.227 57.713 56.400 0.142 0.000 0.800 475 E CB -0.447 29.296 29.700 0.071 0.000 0.758 475 E HN 0.363 nan 8.360 nan 0.000 0.448 476 E N 0.926 121.171 120.200 0.074 0.000 2.106 476 E HA -0.190 4.160 4.350 0.001 0.000 0.192 476 E C 2.153 178.792 176.600 0.064 0.000 0.984 476 E CA 0.764 57.194 56.400 0.049 0.000 0.806 476 E CB -0.014 29.681 29.700 -0.008 0.000 0.750 476 E HN 0.142 nan 8.360 nan 0.000 0.458 477 M N -0.260 119.376 119.600 0.061 0.000 2.108 477 M HA -0.229 4.251 4.480 0.001 0.000 0.261 477 M C 2.060 178.440 176.300 0.134 0.000 1.066 477 M CA 1.628 56.961 55.300 0.055 0.000 1.107 477 M CB -0.232 32.385 32.600 0.028 0.000 1.356 477 M HN 0.256 nan 8.290 nan 0.000 0.406 478 Y N 0.926 121.287 120.300 0.103 0.000 2.181 478 Y HA -0.266 4.284 4.550 0.001 0.000 0.288 478 Y C 2.200 178.144 175.900 0.073 0.000 1.146 478 Y CA 2.292 60.462 58.100 0.117 0.000 1.164 478 Y CB -0.264 38.269 38.460 0.123 0.000 0.982 478 Y HN 0.345 nan 8.280 nan 0.000 0.515 479 E N -0.036 120.302 120.200 0.230 0.000 2.171 479 E HA -0.216 4.134 4.350 0.001 0.000 0.197 479 E C 1.421 178.030 176.600 0.015 0.000 0.997 479 E CA 1.485 57.957 56.400 0.119 0.000 0.810 479 E CB -0.214 29.547 29.700 0.102 0.000 0.738 479 E HN 0.541 nan 8.360 nan 0.000 0.467 480 L N 0.001 121.223 121.223 -0.001 0.000 2.728 480 L HA 0.170 4.510 4.340 0.001 0.000 0.238 480 L C 0.352 177.191 176.870 -0.053 0.000 1.143 480 L CA -0.379 54.443 54.840 -0.030 0.000 0.937 480 L CB 0.922 42.961 42.059 -0.032 0.000 1.225 480 L HN -0.151 nan 8.230 nan 0.000 0.507 481 S N 0.018 115.675 115.700 -0.072 0.000 2.616 481 S HA 0.267 4.738 4.470 0.001 0.000 0.277 481 S C -0.320 174.256 174.600 -0.040 0.000 1.234 481 S CA -0.872 57.303 58.200 -0.042 0.000 1.028 481 S CB 1.452 64.663 63.200 0.018 0.000 0.988 481 S HN 0.282 nan 8.310 nan 0.000 0.522 482 D N 0.817 121.242 120.400 0.042 0.000 2.414 482 D HA 0.397 5.038 4.640 0.001 0.000 0.259 482 D C 1.196 177.487 176.300 -0.015 0.000 1.269 482 D CA -0.314 53.698 54.000 0.020 0.000 1.028 482 D CB 0.028 40.863 40.800 0.058 0.000 1.093 482 D HN 0.381 nan 8.370 nan 0.000 0.545 483 A N -0.192 122.592 122.820 -0.060 0.000 1.940 483 A HA 0.007 4.328 4.320 0.001 0.000 0.219 483 A C 2.178 179.670 177.584 -0.152 0.000 1.176 483 A CA 2.567 54.545 52.037 -0.098 0.000 0.631 483 A CB -1.337 17.605 19.000 -0.097 0.000 0.814 483 A HN 0.687 nan 8.150 nan 0.000 0.446 484 A N -1.388 121.258 122.820 -0.291 0.000 1.897 484 A HA 0.087 4.408 4.320 0.001 0.000 0.215 484 A C 1.956 179.287 177.584 -0.420 0.000 1.181 484 A CA 1.352 52.968 52.037 -0.702 0.000 0.620 484 A CB -0.641 17.419 19.000 -1.566 0.000 0.821 484 A HN 0.465 nan 8.150 nan 0.000 0.443 485 F N -0.203 119.712 119.950 -0.058 0.000 2.234 485 F HA -0.014 4.513 4.527 0.001 0.000 0.296 485 F C 2.554 178.454 175.800 0.167 0.000 1.089 485 F CA 1.111 59.229 58.000 0.196 0.000 1.343 485 F CB -0.153 38.935 39.000 0.147 0.000 1.040 485 F HN 0.077 nan 8.300 nan 0.000 0.498 486 R N 0.250 120.819 120.500 0.114 0.000 2.096 486 R HA -0.234 4.106 4.340 0.001 0.000 0.240 486 R C 2.158 178.591 176.300 0.222 0.000 1.139 486 R CA 1.694 57.747 56.100 -0.078 0.000 0.952 486 R CB -0.898 29.159 30.300 -0.404 0.000 0.854 486 R HN 0.354 nan 8.270 nan 0.000 0.436 487 N N 0.341 119.144 118.700 0.172 0.000 2.120 487 N HA -0.192 4.549 4.740 0.001 0.000 0.188 487 N C 1.709 177.400 175.510 0.302 0.000 1.024 487 N CA 1.149 54.328 53.050 0.215 0.000 0.852 487 N CB -0.061 38.522 38.487 0.161 0.000 1.003 487 N HN 0.088 nan 8.380 nan 0.000 0.424 488 F N 1.765 121.827 119.950 0.188 0.000 2.186 488 F HA 0.081 4.609 4.527 0.001 0.000 0.299 488 F C 2.239 178.120 175.800 0.135 0.000 1.090 488 F CA 0.695 58.811 58.000 0.193 0.000 1.307 488 F CB -0.248 38.883 39.000 0.220 0.000 1.019 488 F HN -0.009 nan 8.300 nan 0.000 0.489 489 I N -0.095 120.641 120.570 0.276 0.000 2.226 489 I HA -0.291 3.879 4.170 0.001 0.000 0.245 489 I C 2.237 178.331 176.117 -0.039 0.000 1.100 489 I CA 1.484 62.847 61.300 0.104 0.000 1.374 489 I CB -0.525 37.718 38.000 0.404 0.000 1.057 489 I HN 0.144 nan 8.210 nan 0.000 0.413 490 E N 0.469 120.734 120.200 0.110 0.000 2.058 490 E HA -0.289 4.061 4.350 0.001 0.000 0.194 490 E C 2.270 178.837 176.600 -0.055 0.000 0.997 490 E CA 1.431 57.853 56.400 0.037 0.000 0.801 490 E CB -0.073 29.703 29.700 0.127 0.000 0.746 490 E HN 0.531 nan 8.360 nan 0.000 0.450 491 Q N 0.184 119.951 119.800 -0.054 0.000 2.020 491 Q HA -0.151 4.189 4.340 0.001 0.000 0.202 491 Q C 2.454 178.329 176.000 -0.207 0.000 0.982 491 Q CA 1.084 56.834 55.803 -0.087 0.000 0.838 491 Q CB -0.148 28.566 28.738 -0.041 0.000 0.899 491 Q HN 0.330 nan 8.270 nan 0.000 0.423 492 L N 0.424 121.405 121.223 -0.403 0.000 2.083 492 L HA -0.152 4.188 4.340 0.001 0.000 0.209 492 L C 2.493 179.126 176.870 -0.395 0.000 1.083 492 L CA 1.631 56.190 54.840 -0.469 0.000 0.752 492 L CB -0.699 40.949 42.059 -0.685 0.000 0.899 492 L HN 0.413 nan 8.230 nan 0.000 0.433 493 T N -4.088 110.216 114.554 -0.416 0.000 3.107 493 T HA 0.229 4.579 4.350 0.001 0.000 0.249 493 T C 1.408 175.991 174.700 -0.195 0.000 1.096 493 T CA 0.404 62.291 62.100 -0.356 0.000 1.012 493 T CB 0.514 69.126 68.868 -0.426 0.000 0.977 493 T HN 0.471 nan 8.240 nan 0.000 0.527 494 G N 1.032 109.744 108.800 -0.147 0.000 2.155 494 G HA2 0.046 4.006 3.960 0.001 0.000 0.257 494 G HA3 0.046 4.006 3.960 0.001 0.000 0.257 494 G C 1.077 175.936 174.900 -0.068 0.000 0.983 494 G CA 0.330 45.381 45.100 -0.082 0.000 0.676 494 G HN 1.794 nan 8.290 nan 0.000 0.528 495 G N -1.511 107.236 108.800 -0.088 0.000 2.143 495 G HA2 0.045 4.006 3.960 0.001 0.000 0.248 495 G HA3 0.045 4.006 3.960 0.001 0.000 0.248 495 G C 0.396 175.242 174.900 -0.090 0.000 0.991 495 G CA 1.302 46.354 45.100 -0.080 0.000 0.689 495 G HN 2.170 nan 8.290 nan 0.000 0.522 496 S N -0.685 114.954 115.700 -0.101 0.000 2.420 496 S HA 0.600 5.071 4.470 0.001 0.000 0.313 496 S C 1.473 176.019 174.600 -0.091 0.000 1.079 496 S CA -0.022 58.130 58.200 -0.081 0.000 1.104 496 S CB 1.198 64.359 63.200 -0.065 0.000 0.969 496 S HN 0.420 nan 8.310 nan 0.000 0.471 497 R N 3.309 123.762 120.500 -0.080 0.000 2.091 497 R HA -0.117 4.224 4.340 0.001 0.000 0.238 497 R C 2.075 178.354 176.300 -0.035 0.000 1.136 497 R CA 2.400 58.458 56.100 -0.070 0.000 0.959 497 R CB -0.409 29.856 30.300 -0.059 0.000 0.856 497 R HN 0.848 nan 8.270 nan 0.000 0.437 498 E N 0.098 120.283 120.200 -0.025 0.000 2.110 498 E HA -0.169 4.181 4.350 0.001 0.000 0.193 498 E C 1.616 178.221 176.600 0.008 0.000 0.988 498 E CA 1.530 57.928 56.400 -0.003 0.000 0.804 498 E CB -0.331 29.368 29.700 -0.002 0.000 0.745 498 E HN 0.293 nan 8.360 nan 0.000 0.458 499 I N 0.549 121.109 120.570 -0.017 0.000 2.252 499 I HA -0.176 3.995 4.170 0.001 0.000 0.245 499 I C 2.436 178.564 176.117 0.017 0.000 1.102 499 I CA 1.350 62.640 61.300 -0.016 0.000 1.385 499 I CB -0.926 37.026 38.000 -0.079 0.000 1.064 499 I HN 0.313 nan 8.210 nan 0.000 0.414 500 M N -0.385 119.209 119.600 -0.011 0.000 2.149 500 M HA -0.250 4.231 4.480 0.001 0.000 0.261 500 M C 2.406 178.830 176.300 0.208 0.000 1.064 500 M CA 1.792 57.152 55.300 0.101 0.000 1.102 500 M CB -0.351 32.270 32.600 0.034 0.000 1.369 500 M HN 0.150 nan 8.290 nan 0.000 0.408 501 R N 0.004 120.562 120.500 0.096 0.000 2.055 501 R HA -0.075 4.265 4.340 0.001 0.000 0.221 501 R C 2.419 178.740 176.300 0.034 0.000 1.154 501 R CA 1.670 57.804 56.100 0.056 0.000 0.975 501 R CB -0.245 30.071 30.300 0.025 0.000 0.869 501 R HN 0.343 nan 8.270 nan 0.000 0.437 502 S N 0.249 115.987 115.700 0.063 0.000 2.402 502 S HA -0.039 4.431 4.470 0.001 0.000 0.229 502 S C 1.490 176.161 174.600 0.118 0.000 1.021 502 S CA 0.528 58.786 58.200 0.097 0.000 0.974 502 S CB -0.061 63.214 63.200 0.124 0.000 0.800 502 S HN 0.269 nan 8.310 nan 0.000 0.484 503 R N 1.523 122.124 120.500 0.168 0.000 2.356 503 R HA 0.388 4.729 4.340 0.001 0.000 0.234 503 R C -0.191 176.298 176.300 0.316 0.000 0.929 503 R CA -0.018 56.237 56.100 0.258 0.000 1.084 503 R CB -0.675 29.824 30.300 0.332 0.000 1.105 503 R HN 0.315 nan 8.270 nan 0.000 0.515 504 S N 2.881 118.658 115.700 0.127 0.000 2.422 504 S HA 0.208 4.679 4.470 0.001 0.000 0.298 504 S C -1.539 172.953 174.600 -0.181 0.000 1.118 504 S CA -1.239 56.962 58.200 0.001 0.000 1.083 504 S CB 1.794 64.976 63.200 -0.031 0.000 0.971 504 S HN 0.035 nan 8.310 nan 0.000 0.478 505 P HA -0.096 nan 4.420 nan 0.000 0.220 505 P C 1.422 178.617 177.300 -0.176 0.000 1.148 505 P CA 0.486 63.483 63.100 -0.172 0.000 0.803 505 P CB 0.057 31.661 31.700 -0.159 0.000 0.782 506 I N 0.587 121.054 120.570 -0.172 0.000 2.399 506 I HA -0.212 3.959 4.170 0.001 0.000 0.254 506 I C 1.259 177.289 176.117 -0.145 0.000 1.146 506 I CA 1.559 62.769 61.300 -0.149 0.000 1.412 506 I CB -0.556 37.362 38.000 -0.138 0.000 1.076 506 I HN -0.132 nan 8.210 nan 0.000 0.432 507 N N -0.551 118.008 118.700 -0.235 0.000 2.322 507 N HA 0.027 4.768 4.740 0.001 0.000 0.194 507 N C 0.195 175.646 175.510 -0.099 0.000 1.126 507 N CA 0.373 53.290 53.050 -0.222 0.000 0.845 507 N CB 0.009 38.325 38.487 -0.285 0.000 0.976 507 N HN 0.475 nan 8.380 nan 0.000 0.475 508 H N -1.028 118.021 119.070 -0.034 0.000 2.750 508 H HA 0.263 4.820 4.556 0.001 0.000 0.252 508 H C 1.561 176.866 175.328 -0.039 0.000 1.176 508 H CA -0.449 55.580 56.048 -0.032 0.000 0.987 508 H CB -0.013 29.729 29.762 -0.033 0.000 1.810 508 H HN -0.143 nan 8.280 nan 0.000 0.630 509 V N 0.209 120.151 119.914 0.046 0.000 2.490 509 V HA -0.215 3.905 4.120 0.001 0.000 0.250 509 V C 2.030 178.132 176.094 0.013 0.000 1.061 509 V CA 1.949 64.249 62.300 -0.001 0.000 1.064 509 V CB -0.052 31.742 31.823 -0.048 0.000 0.670 509 V HN 0.313 nan 8.190 nan 0.000 0.461 510 D N 0.135 120.550 120.400 0.024 0.000 2.190 510 D HA -0.171 4.469 4.640 0.001 0.000 0.200 510 D C 2.398 178.708 176.300 0.017 0.000 0.992 510 D CA 1.189 55.200 54.000 0.018 0.000 0.854 510 D CB -0.169 40.642 40.800 0.018 0.000 0.936 510 D HN 0.386 nan 8.370 nan 0.000 0.462 511 R N -0.354 120.159 120.500 0.021 0.000 2.235 511 R HA 0.102 4.442 4.340 0.001 0.000 0.213 511 R C 0.606 176.917 176.300 0.019 0.000 1.059 511 R CA 0.008 56.113 56.100 0.009 0.000 0.997 511 R CB 0.071 30.366 30.300 -0.008 0.000 0.884 511 R HN 0.221 nan 8.270 nan 0.000 0.462 512 I N 2.069 122.654 120.570 0.026 0.000 2.668 512 I HA -0.110 4.061 4.170 0.001 0.000 0.285 512 I C 1.072 177.215 176.117 0.043 0.000 1.168 512 I CA 0.722 62.043 61.300 0.035 0.000 1.424 512 I CB 0.654 38.670 38.000 0.028 0.000 1.377 512 I HN -0.003 nan 8.210 nan 0.000 0.560 513 K N 4.453 124.885 120.400 0.054 0.000 2.440 513 K HA 0.269 4.590 4.320 0.001 0.000 0.207 513 K C -0.109 176.539 176.600 0.080 0.000 1.112 513 K CA 0.088 56.409 56.287 0.058 0.000 1.036 513 K CB 0.654 33.179 32.500 0.043 0.000 0.935 513 K HN 0.492 nan 8.250 nan 0.000 0.564 514 E N 1.302 121.563 120.200 0.102 0.000 2.207 514 E HA 0.311 4.661 4.350 0.001 0.000 0.270 514 E C -2.692 174.013 176.600 0.176 0.000 0.927 514 E CA -2.309 54.174 56.400 0.138 0.000 0.799 514 E CB 1.240 31.036 29.700 0.161 0.000 1.172 514 E HN -0.183 nan 8.360 nan 0.000 0.404 515 P HA 0.027 nan 4.420 nan 0.000 0.266 515 P C -1.202 176.323 177.300 0.376 0.000 1.195 515 P CA -0.190 63.098 63.100 0.315 0.000 0.768 515 P CB 0.361 32.281 31.700 0.366 0.000 0.838 516 L N 2.761 124.135 121.223 0.251 0.000 2.410 516 L HA 0.750 5.090 4.340 0.001 0.000 0.270 516 L C -1.155 175.593 176.870 -0.204 0.000 0.983 516 L CA -0.997 53.878 54.840 0.059 0.000 0.822 516 L CB 1.620 43.716 42.059 0.062 0.000 1.285 516 L HN 0.409 nan 8.230 nan 0.000 0.409 517 A N 6.035 128.514 122.820 -0.568 0.000 2.303 517 A HA 0.776 5.097 4.320 0.001 0.000 0.320 517 A C -1.243 176.203 177.584 -0.230 0.000 1.192 517 A CA -0.497 51.167 52.037 -0.621 0.000 0.821 517 A CB 0.589 18.845 19.000 -1.240 0.000 1.188 517 A HN 0.717 nan 8.150 nan 0.000 0.492 518 L N 3.289 124.473 121.223 -0.065 0.000 2.296 518 L HA 0.588 4.928 4.340 0.001 0.000 0.286 518 L C -0.780 176.134 176.870 0.073 0.000 1.023 518 L CA -0.258 54.587 54.840 0.009 0.000 0.812 518 L CB 1.465 43.544 42.059 0.034 0.000 1.223 518 L HN 0.587 nan 8.230 nan 0.000 0.421 519 I N 2.281 122.898 120.570 0.079 0.000 2.466 519 I HA 0.395 4.566 4.170 0.001 0.000 0.289 519 I C -1.070 175.104 176.117 0.096 0.000 1.026 519 I CA -0.505 60.861 61.300 0.109 0.000 1.078 519 I CB 2.043 40.086 38.000 0.071 0.000 1.249 519 I HN 0.580 nan 8.210 nan 0.000 0.429 520 H N 6.170 125.264 119.070 0.041 0.000 3.042 520 H HA 0.365 4.922 4.556 0.000 0.000 0.345 520 H C -2.791 172.556 175.328 0.033 0.000 1.052 520 H CA -1.270 54.784 56.048 0.011 0.000 1.311 520 H CB 2.881 32.630 29.762 -0.021 0.000 1.810 520 H HN 0.227 nan 8.280 nan 0.000 0.505 521 P HA 0.030 nan 4.420 nan 0.000 0.276 521 P C 0.180 177.581 177.300 0.168 0.000 1.230 521 P CA -0.306 62.859 63.100 0.110 0.000 0.776 521 P CB 1.053 32.799 31.700 0.075 0.000 0.888 522 Q N 2.383 122.250 119.800 0.112 0.000 2.224 522 Q HA -0.116 4.225 4.340 0.001 0.000 0.203 522 Q C 0.375 176.415 176.000 0.067 0.000 0.970 522 Q CA 1.423 57.276 55.803 0.083 0.000 0.865 522 Q CB -0.485 28.282 28.738 0.048 0.000 0.922 522 Q HN 0.260 nan 8.270 nan 0.000 0.445 523 N N 1.129 119.869 118.700 0.066 0.000 2.273 523 N HA 0.059 4.799 4.740 0.001 0.000 0.231 523 N C -0.967 174.572 175.510 0.048 0.000 1.134 523 N CA -0.020 53.056 53.050 0.043 0.000 0.856 523 N CB 0.342 38.848 38.487 0.031 0.000 1.068 523 N HN 0.263 nan 8.380 nan 0.000 0.510 524 D N 0.837 121.288 120.400 0.085 0.000 2.434 524 D HA -0.014 4.627 4.640 0.001 0.000 0.252 524 D C 0.895 177.195 176.300 -0.001 0.000 1.185 524 D CA 0.384 54.434 54.000 0.083 0.000 0.886 524 D CB 0.766 41.660 40.800 0.155 0.000 1.148 524 D HN 0.203 nan 8.370 nan 0.000 0.483 525 S N 3.424 119.088 115.700 -0.059 0.000 2.540 525 S HA 0.135 4.605 4.470 0.001 0.000 0.218 525 S C 1.396 175.795 174.600 -0.335 0.000 0.977 525 S CA -0.338 57.782 58.200 -0.133 0.000 0.918 525 S CB 0.568 63.717 63.200 -0.086 0.000 0.806 525 S HN 0.415 nan 8.310 nan 0.000 0.496 526 R N 1.868 122.095 120.500 -0.454 0.000 2.051 526 R HA 0.108 4.449 4.340 0.001 0.000 0.218 526 R C 0.362 176.323 176.300 -0.565 0.000 1.188 526 R CA 1.383 56.941 56.100 -0.902 0.000 0.992 526 R CB -0.640 29.070 30.300 -0.983 0.000 0.883 526 R HN 0.520 nan 8.270 nan 0.000 0.444 527 T N 1.445 115.799 114.554 -0.333 0.000 3.154 527 T HA 0.357 4.708 4.350 0.001 0.000 0.381 527 T C -2.583 172.172 174.700 0.091 0.000 1.368 527 T CA -2.171 59.858 62.100 -0.118 0.000 1.155 527 T CB 1.460 70.288 68.868 -0.067 0.000 1.120 527 T HN -0.058 nan 8.240 nan 0.000 0.570 528 P HA 0.159 nan 4.420 nan 0.000 0.274 528 P C 0.833 178.051 177.300 -0.136 0.000 1.237 528 P CA -0.757 62.325 63.100 -0.030 0.000 0.793 528 P CB 1.181 32.834 31.700 -0.078 0.000 0.977 529 L N 1.926 123.046 121.223 -0.171 0.000 2.217 529 L HA -0.051 4.290 4.340 0.001 0.000 0.211 529 L C 2.482 179.189 176.870 -0.272 0.000 1.107 529 L CA 1.769 56.391 54.840 -0.362 0.000 0.783 529 L CB -0.942 41.018 42.059 -0.165 0.000 0.919 529 L HN 0.317 nan 8.230 nan 0.000 0.442 530 K N 0.048 120.349 120.400 -0.164 0.000 2.001 530 K HA -0.157 4.163 4.320 0.001 0.000 0.214 530 K C -0.553 175.960 176.600 -0.144 0.000 1.050 530 K CA 2.095 58.307 56.287 -0.125 0.000 0.934 530 K CB -1.115 31.335 32.500 -0.083 0.000 0.718 530 K HN 0.306 nan 8.250 nan 0.000 0.443 531 P HA -0.182 nan 4.420 nan 0.000 0.218 531 P C 1.465 178.648 177.300 -0.194 0.000 1.148 531 P CA 1.049 64.056 63.100 -0.155 0.000 0.822 531 P CB -0.012 31.598 31.700 -0.150 0.000 0.784 532 L N -0.604 120.457 121.223 -0.270 0.000 2.046 532 L HA -0.127 4.214 4.340 0.001 0.000 0.208 532 L C 2.580 179.321 176.870 -0.214 0.000 1.077 532 L CA 1.537 56.205 54.840 -0.286 0.000 0.747 532 L CB -1.071 40.702 42.059 -0.477 0.000 0.896 532 L HN -0.182 nan 8.230 nan 0.000 0.432 533 L N -0.940 120.175 121.223 -0.181 0.000 2.083 533 L HA -0.229 4.112 4.340 0.001 0.000 0.209 533 L C 2.736 179.532 176.870 -0.125 0.000 1.083 533 L CA 1.494 56.258 54.840 -0.126 0.000 0.752 533 L CB -0.599 41.404 42.059 -0.095 0.000 0.899 533 L HN 0.303 nan 8.230 nan 0.000 0.433 534 R N 0.394 120.817 120.500 -0.128 0.000 2.092 534 R HA -0.181 4.159 4.340 0.001 0.000 0.231 534 R C 2.327 178.539 176.300 -0.147 0.000 1.119 534 R CA 1.120 57.151 56.100 -0.116 0.000 0.970 534 R CB -0.186 30.053 30.300 -0.101 0.000 0.864 534 R HN 0.182 nan 8.270 nan 0.000 0.440 535 L N 0.651 121.766 121.223 -0.179 0.000 2.046 535 L HA -0.126 4.214 4.340 0.001 0.000 0.208 535 L C 2.037 178.712 176.870 -0.325 0.000 1.077 535 L CA 1.799 56.507 54.840 -0.221 0.000 0.747 535 L CB -0.267 41.661 42.059 -0.217 0.000 0.896 535 L HN 0.265 nan 8.230 nan 0.000 0.432 536 M N -0.916 118.474 119.600 -0.351 0.000 2.108 536 M HA -0.142 4.338 4.480 0.001 0.000 0.261 536 M C 2.172 178.275 176.300 -0.327 0.000 1.066 536 M CA 1.765 56.752 55.300 -0.521 0.000 1.107 536 M CB -1.134 31.319 32.600 -0.245 0.000 1.356 536 M HN 0.487 nan 8.290 nan 0.000 0.406 537 G N -0.117 108.583 108.800 -0.166 0.000 2.422 537 G HA2 -0.188 3.773 3.960 0.001 0.000 0.218 537 G HA3 -0.188 3.773 3.960 0.001 0.000 0.218 537 G C 1.464 176.304 174.900 -0.100 0.000 1.146 537 G CA 0.679 45.725 45.100 -0.090 0.000 0.769 537 G HN 0.334 nan 8.290 nan 0.000 0.547 538 E N 0.432 120.547 120.200 -0.141 0.000 2.046 538 E HA 0.002 4.352 4.350 0.001 0.000 0.190 538 E C 2.754 179.278 176.600 -0.127 0.000 0.982 538 E CA 0.329 56.659 56.400 -0.116 0.000 0.800 538 E CB -0.448 29.181 29.700 -0.119 0.000 0.756 538 E HN 0.432 nan 8.360 nan 0.000 0.449 539 L N 0.544 121.622 121.223 -0.242 0.000 2.012 539 L HA -0.228 4.112 4.340 0.001 0.000 0.210 539 L C 2.610 179.460 176.870 -0.033 0.000 1.073 539 L CA 0.934 55.631 54.840 -0.239 0.000 0.748 539 L CB -0.581 41.058 42.059 -0.700 0.000 0.891 539 L HN 0.159 nan 8.230 nan 0.000 0.431 540 L N 0.193 121.422 121.223 0.010 0.000 2.017 540 L HA -0.154 4.186 4.340 0.001 0.000 0.208 540 L C 2.592 179.505 176.870 0.072 0.000 1.073 540 L CA 2.120 57.056 54.840 0.160 0.000 0.745 540 L CB -0.798 41.361 42.059 0.168 0.000 0.894 540 L HN 0.145 nan 8.230 nan 0.000 0.432 541 A N -0.554 122.279 122.820 0.021 0.000 1.972 541 A HA -0.157 4.163 4.320 0.001 0.000 0.219 541 A C 2.268 179.861 177.584 0.016 0.000 1.169 541 A CA 1.651 53.696 52.037 0.013 0.000 0.635 541 A CB -0.489 18.507 19.000 -0.006 0.000 0.810 541 A HN 0.561 nan 8.150 nan 0.000 0.446 542 R N -1.596 118.912 120.500 0.013 0.000 2.427 542 R HA 0.272 4.612 4.340 0.001 0.000 0.262 542 R C 1.021 177.342 176.300 0.034 0.000 0.943 542 R CA 0.453 56.563 56.100 0.016 0.000 1.081 542 R CB 0.121 30.423 30.300 0.003 0.000 1.166 542 R HN 0.617 nan 8.270 nan 0.000 0.534 543 G N 1.793 110.626 108.800 0.054 0.000 2.153 543 G HA2 -0.261 3.700 3.960 0.001 0.000 0.252 543 G HA3 -0.261 3.700 3.960 0.001 0.000 0.252 543 G C -0.223 174.730 174.900 0.088 0.000 0.994 543 G CA -0.012 45.128 45.100 0.066 0.000 0.698 543 G HN 0.054 nan 8.290 nan 0.000 0.521 544 K N 1.102 121.569 120.400 0.111 0.000 2.298 544 K HA 0.429 4.749 4.320 0.001 0.000 0.280 544 K C 0.731 177.466 176.600 0.225 0.000 1.032 544 K CA -0.211 56.156 56.287 0.134 0.000 0.958 544 K CB 0.623 33.179 32.500 0.094 0.000 0.978 544 K HN 0.130 nan 8.250 nan 0.000 0.472 545 T N 4.511 119.172 114.554 0.179 0.000 2.829 545 T HA 0.267 4.618 4.350 0.001 0.000 0.293 545 T C 0.023 174.899 174.700 0.293 0.000 0.970 545 T CA 0.266 62.474 62.100 0.180 0.000 1.168 545 T CB -0.588 68.365 68.868 0.142 0.000 0.911 545 T HN 0.467 nan 8.240 nan 0.000 0.535 546 F N 0.667 120.638 119.950 0.035 0.000 2.693 546 F HA 0.756 5.283 4.527 0.001 0.000 0.309 546 F C -0.963 174.828 175.800 -0.015 0.000 1.129 546 F CA -1.341 56.661 58.000 0.004 0.000 0.948 546 F CB 1.655 40.636 39.000 -0.031 0.000 1.315 546 F HN 0.425 nan 8.300 nan 0.000 0.447 547 E N 1.735 121.916 120.200 -0.031 0.000 2.288 547 E HA 0.815 5.166 4.350 0.001 0.000 0.268 547 E C -1.782 174.787 176.600 -0.053 0.000 0.885 547 E CA -1.223 55.082 56.400 -0.157 0.000 0.767 547 E CB 2.234 31.892 29.700 -0.069 0.000 1.220 547 E HN 1.124 nan 8.360 nan 0.000 0.427 548 A N 3.849 126.538 122.820 -0.218 0.000 2.486 548 A HA 0.579 4.900 4.320 0.001 0.000 0.300 548 A C -1.652 175.661 177.584 -0.452 0.000 1.048 548 A CA -0.654 51.307 52.037 -0.126 0.000 0.696 548 A CB 1.352 20.405 19.000 0.089 0.000 1.278 548 A HN 0.705 nan 8.150 nan 0.000 0.405 549 H N 1.919 121.005 119.070 0.026 0.000 2.924 549 H HA 0.404 4.960 4.556 0.000 0.000 0.333 549 H C -1.312 174.040 175.328 0.040 0.000 0.979 549 H CA -0.206 55.855 56.048 0.020 0.000 1.326 549 H CB 1.456 31.217 29.762 -0.002 0.000 1.600 549 H HN 0.537 nan 8.280 nan 0.000 0.520 550 I N 4.480 125.121 120.570 0.118 0.000 2.377 550 I HA 0.236 4.406 4.170 0.001 0.000 0.293 550 I C 0.009 176.182 176.117 0.092 0.000 0.987 550 I CA -0.728 60.633 61.300 0.103 0.000 1.185 550 I CB 1.579 39.616 38.000 0.062 0.000 1.341 550 I HN 0.315 nan 8.210 nan 0.000 0.455 551 I N 8.826 129.450 120.570 0.090 0.000 2.336 551 I HA 0.321 4.491 4.170 0.001 0.000 0.292 551 I C -2.140 174.012 176.117 0.057 0.000 0.991 551 I CA -1.787 59.553 61.300 0.067 0.000 1.227 551 I CB 1.308 39.345 38.000 0.062 0.000 1.366 551 I HN 0.318 nan 8.210 nan 0.000 0.466 552 P HA 0.171 nan 4.420 nan 0.000 0.282 552 P C -0.704 176.617 177.300 0.034 0.000 1.249 552 P CA -0.067 63.054 63.100 0.036 0.000 0.806 552 P CB 0.798 32.516 31.700 0.029 0.000 0.984 553 D N -1.185 119.234 120.400 0.032 0.000 2.751 553 D HA -0.166 4.475 4.640 0.001 0.000 0.233 553 D C -0.124 176.197 176.300 0.035 0.000 1.149 553 D CA 1.661 55.678 54.000 0.029 0.000 0.682 553 D CB -1.448 39.366 40.800 0.022 0.000 1.068 553 D HN 0.642 nan 8.370 nan 0.000 0.429 554 A N -1.120 121.727 122.820 0.045 0.000 2.556 554 A HA 0.872 5.193 4.320 0.001 0.000 0.294 554 A C 0.569 178.194 177.584 0.067 0.000 1.091 554 A CA 0.031 52.101 52.037 0.055 0.000 0.704 554 A CB 2.124 21.158 19.000 0.055 0.000 1.300 554 A HN 0.242 nan 8.150 nan 0.000 0.406 555 G N -1.197 107.651 108.800 0.080 0.000 3.257 555 G HA2 0.425 4.385 3.960 0.001 0.000 0.205 555 G HA3 0.425 4.385 3.960 0.001 0.000 0.205 555 G C 0.391 175.375 174.900 0.141 0.000 1.234 555 G CA 0.171 45.332 45.100 0.102 0.000 0.918 555 G HN 0.854 nan 8.290 nan 0.000 0.602 556 H N -0.315 118.794 119.070 0.065 0.000 2.423 556 H HA 0.311 4.868 4.556 0.001 0.000 0.297 556 H C 1.480 176.928 175.328 0.199 0.000 1.075 556 H CA 1.431 57.545 56.048 0.110 0.000 1.342 556 H CB 0.022 29.817 29.762 0.054 0.000 1.395 556 H HN 0.465 nan 8.280 nan 0.000 0.530 557 A N 1.090 124.037 122.820 0.213 0.000 2.273 557 A HA 0.383 4.703 4.320 0.001 0.000 0.320 557 A C -0.723 176.925 177.584 0.108 0.000 1.358 557 A CA -0.584 51.551 52.037 0.164 0.000 0.910 557 A CB -0.039 19.088 19.000 0.211 0.000 1.159 557 A HN 0.204 nan 8.150 nan 0.000 0.526 558 I N 3.725 124.326 120.570 0.051 0.000 2.325 558 I HA 0.162 4.332 4.170 0.001 0.000 0.291 558 I C 0.493 176.657 176.117 0.077 0.000 1.019 558 I CA -0.220 61.106 61.300 0.044 0.000 1.302 558 I CB 1.001 38.992 38.000 -0.014 0.000 1.401 558 I HN 0.831 nan 8.210 nan 0.000 0.485 559 N N 3.400 122.169 118.700 0.115 0.000 2.170 559 N HA 0.014 4.755 4.740 0.001 0.000 0.222 559 N C 0.010 175.645 175.510 0.208 0.000 1.218 559 N CA -0.263 52.884 53.050 0.163 0.000 0.889 559 N CB 0.695 39.249 38.487 0.113 0.000 1.083 559 N HN 0.573 nan 8.380 nan 0.000 0.520 560 T N -4.058 110.623 114.554 0.211 0.000 2.906 560 T HA 0.352 4.702 4.350 0.001 0.000 0.295 560 T C 0.960 175.846 174.700 0.310 0.000 1.075 560 T CA -0.787 61.441 62.100 0.212 0.000 1.005 560 T CB 1.977 70.895 68.868 0.083 0.000 1.136 560 T HN -0.190 nan 8.240 nan 0.000 0.498 561 M N 0.586 120.396 119.600 0.349 0.000 2.067 561 M HA -0.047 4.434 4.480 0.001 0.000 0.260 561 M C 1.928 178.296 176.300 0.114 0.000 1.069 561 M CA 1.978 57.478 55.300 0.334 0.000 1.117 561 M CB -0.953 31.803 32.600 0.261 0.000 1.334 561 M HN 0.925 nan 8.290 nan 0.000 0.407 562 E N -0.150 120.093 120.200 0.071 0.000 2.153 562 E HA -0.206 4.144 4.350 0.001 0.000 0.194 562 E C 1.491 178.094 176.600 0.006 0.000 0.988 562 E CA 1.250 57.664 56.400 0.022 0.000 0.811 562 E CB 0.067 29.776 29.700 0.015 0.000 0.746 562 E HN 0.473 nan 8.360 nan 0.000 0.466 563 D N -0.062 120.353 120.400 0.025 0.000 2.149 563 D HA -0.067 4.573 4.640 0.001 0.000 0.201 563 D C 1.807 178.094 176.300 -0.023 0.000 0.972 563 D CA 0.998 55.005 54.000 0.011 0.000 0.835 563 D CB -0.160 40.660 40.800 0.034 0.000 0.966 563 D HN 0.149 nan 8.370 nan 0.000 0.476 564 A N 0.647 123.452 122.820 -0.025 0.000 1.933 564 A HA -0.140 4.181 4.320 0.001 0.000 0.218 564 A C 2.483 179.979 177.584 -0.147 0.000 1.175 564 A CA 1.167 53.148 52.037 -0.093 0.000 0.628 564 A CB -0.692 18.237 19.000 -0.119 0.000 0.814 564 A HN 0.143 nan 8.150 nan 0.000 0.444 565 V N 0.027 119.873 119.914 -0.114 0.000 2.358 565 V HA -0.259 3.861 4.120 0.001 0.000 0.246 565 V C 2.384 178.365 176.094 -0.188 0.000 1.047 565 V CA 2.338 64.544 62.300 -0.156 0.000 1.035 565 V CB -0.660 31.099 31.823 -0.108 0.000 0.658 565 V HN 0.550 nan 8.190 nan 0.000 0.452 566 K N 0.224 120.547 120.400 -0.128 0.000 2.211 566 K HA -0.078 4.242 4.320 0.001 0.000 0.203 566 K C 1.953 178.473 176.600 -0.133 0.000 1.050 566 K CA 1.744 57.960 56.287 -0.118 0.000 0.945 566 K CB -0.237 32.233 32.500 -0.050 0.000 0.732 566 K HN 0.702 nan 8.250 nan 0.000 0.451 567 I N -2.422 118.070 120.570 -0.130 0.000 2.852 567 I HA -0.036 4.134 4.170 0.001 0.000 0.264 567 I C 1.910 177.880 176.117 -0.244 0.000 1.179 567 I CA 0.520 61.756 61.300 -0.107 0.000 1.480 567 I CB -0.000 37.994 38.000 -0.010 0.000 1.111 567 I HN -0.065 nan 8.210 nan 0.000 0.441 568 L N 0.555 121.549 121.223 -0.383 0.000 2.200 568 L HA 0.185 4.525 4.340 0.001 0.000 0.200 568 L C 2.087 178.687 176.870 -0.451 0.000 1.072 568 L CA 1.248 55.748 54.840 -0.566 0.000 0.787 568 L CB -0.622 41.017 42.059 -0.700 0.000 0.957 568 L HN 0.237 nan 8.230 nan 0.000 0.459 569 L N 1.222 122.183 121.223 -0.437 0.000 1.990 569 L HA -0.123 4.218 4.340 0.001 0.000 0.213 569 L C -0.642 175.826 176.870 -0.670 0.000 1.072 569 L CA 2.387 56.880 54.840 -0.578 0.000 0.755 569 L CB -1.744 39.944 42.059 -0.619 0.000 0.889 569 L HN 0.222 nan 8.230 nan 0.000 0.432 570 P HA -0.159 nan 4.420 nan 0.000 0.217 570 P C 1.461 178.652 177.300 -0.182 0.000 1.150 570 P CA 2.007 64.836 63.100 -0.453 0.000 0.832 570 P CB -0.232 31.007 31.700 -0.767 0.000 0.787 571 A N 0.092 122.795 122.820 -0.196 0.000 1.883 571 A HA -0.149 4.171 4.320 0.001 0.000 0.217 571 A C 2.451 180.003 177.584 -0.053 0.000 1.186 571 A CA 2.268 54.245 52.037 -0.100 0.000 0.624 571 A CB -1.667 17.233 19.000 -0.167 0.000 0.822 571 A HN 0.086 nan 8.150 nan 0.000 0.444 572 V N -1.099 118.737 119.914 -0.129 0.000 2.379 572 V HA -0.159 3.962 4.120 0.001 0.000 0.245 572 V C 2.323 178.507 176.094 0.150 0.000 1.044 572 V CA 1.490 63.753 62.300 -0.062 0.000 1.036 572 V CB -1.028 30.748 31.823 -0.079 0.000 0.664 572 V HN 0.479 nan 8.190 nan 0.000 0.453 573 F N 0.136 120.064 119.950 -0.037 0.000 2.091 573 F HA -0.200 4.327 4.527 -0.001 0.000 0.299 573 F C 2.291 178.106 175.800 0.025 0.000 1.103 573 F CA 1.438 59.435 58.000 -0.005 0.000 1.228 573 F CB -1.252 37.741 39.000 -0.012 0.000 0.984 573 F HN 0.252 nan 8.300 nan 0.000 0.477 574 F N 0.436 120.458 119.950 0.120 0.000 2.102 574 F HA -0.177 4.350 4.527 0.000 0.000 0.298 574 F C 2.137 177.915 175.800 -0.038 0.000 1.105 574 F CA 1.530 59.555 58.000 0.043 0.000 1.239 574 F CB -0.686 38.327 39.000 0.021 0.000 0.991 574 F HN -0.128 nan 8.300 nan 0.000 0.474 575 L N -0.060 121.064 121.223 -0.166 0.000 2.056 575 L HA -0.160 4.180 4.340 0.001 0.000 0.207 575 L C 2.796 179.574 176.870 -0.152 0.000 1.078 575 L CA 1.122 55.679 54.840 -0.471 0.000 0.749 575 L CB -1.223 40.393 42.059 -0.738 0.000 0.901 575 L HN 0.261 nan 8.230 nan 0.000 0.433 576 A N -0.482 122.389 122.820 0.086 0.000 1.972 576 A HA -0.178 4.142 4.320 0.001 0.000 0.219 576 A C 2.337 179.914 177.584 -0.013 0.000 1.169 576 A CA 2.224 54.347 52.037 0.144 0.000 0.635 576 A CB -0.768 18.311 19.000 0.132 0.000 0.810 576 A HN 0.383 nan 8.150 nan 0.000 0.446 577 T N -0.327 114.176 114.554 -0.085 0.000 2.857 577 T HA -0.099 4.251 4.350 0.001 0.000 0.266 577 T C 2.038 176.654 174.700 -0.140 0.000 1.048 577 T CA 1.293 63.324 62.100 -0.116 0.000 1.139 577 T CB -0.165 68.632 68.868 -0.118 0.000 0.874 577 T HN 0.408 nan 8.240 nan 0.000 0.455 578 Q N 0.893 120.543 119.800 -0.249 0.000 2.167 578 Q HA 0.012 4.352 4.340 0.001 0.000 0.202 578 Q C 2.369 178.400 176.000 0.051 0.000 0.970 578 Q CA 1.039 56.744 55.803 -0.164 0.000 0.855 578 Q CB -0.289 28.277 28.738 -0.287 0.000 0.911 578 Q HN 0.469 nan 8.270 nan 0.000 0.438 579 R N 1.023 121.561 120.500 0.064 0.000 2.148 579 R HA -0.109 4.231 4.340 0.001 0.000 0.227 579 R C 1.595 177.921 176.300 0.043 0.000 1.103 579 R CA 1.037 57.215 56.100 0.131 0.000 0.983 579 R CB 0.170 30.508 30.300 0.065 0.000 0.874 579 R HN 0.279 nan 8.270 nan 0.000 0.451 580 E N -0.056 120.144 120.200 0.000 0.000 2.204 580 E HA -0.111 4.239 4.350 0.001 0.000 0.194 580 E C 0.819 177.419 176.600 -0.001 0.000 0.989 580 E CA 0.318 56.710 56.400 -0.014 0.000 0.824 580 E CB 0.056 29.737 29.700 -0.032 0.000 0.756 580 E HN 0.180 nan 8.360 nan 0.000 0.477 581 R N 0.616 121.122 120.500 0.010 0.000 2.896 581 R HA 0.257 4.597 4.340 0.001 0.000 0.283 581 R C 0.676 176.993 176.300 0.028 0.000 1.201 581 R CA 0.367 56.478 56.100 0.017 0.000 1.178 581 R CB 0.283 30.596 30.300 0.022 0.000 1.152 581 R HN 0.031 nan 8.270 nan 0.000 0.590 582 R N 0.000 120.514 120.500 0.023 0.000 2.786 582 R HA 0.000 4.340 4.340 0.001 0.000 0.208 582 R CA 0.000 56.111 56.100 0.018 0.000 0.921 582 R CB 0.000 30.306 30.300 0.010 0.000 0.687 582 R HN 0.000 nan 8.270 nan 0.000 0.535