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 3g5b_1_A DATA FIRST_RESID 541 DATA SEQUENCE PGSSVSGTFG CLGGRLTIPG TGVSLLVPNG AIPQGKFYDL YLRINKTEST DATA SEQUENCE LPLSEGSQTV LSPSVTCGPT GLLLCRPVVL TVPHCAEVIA GDWIFQLKTQ DATA SEQUENCE AHQGHWEEVV TLDEETLNTP CYCQLEAKSC HILLDQLGTY VFTGESYSRS DATA SEQUENCE AVKRLQLAIF APALCTSLEY SLRVYCLEDT PAALKEVLEL ERTLGGYLVE DATA SEQUENCE EPKPLLFKDS YHNLRLSLHD IPHAHWRSKL LAKYQEIPFY HVWNGSQKAL DATA SEQUENCE HCTFTLERHS LASTEFTCKV CVRQVEGEGQ IFQLHTTLXX XXXXXXXXXX DATA SEQUENCE XXXXXXXTTQ LGPYAFKIPL SIRQKICNSL DAPNSRGNDW RLLAQKLSMD DATA SEQUENCE RYLNYFATKA SPTGVILDLW EARQQDDGDL NSLASALEEM GKSEMLVAMT DATA SEQUENCE TD 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 541 P HA 0.000 nan 4.420 nan 0.000 0.216 541 P C 0.000 177.309 177.300 0.015 0.000 1.155 541 P CA 0.000 63.104 63.100 0.007 0.000 0.800 541 P CB 0.000 31.701 31.700 0.001 0.000 0.726 542 G N 0.928 109.736 108.800 0.013 0.000 3.181 542 G HA2 0.229 4.190 3.960 0.001 0.000 0.219 542 G HA3 0.229 4.190 3.960 0.001 0.000 0.219 542 G C 0.800 175.714 174.900 0.023 0.000 1.182 542 G CA 0.890 46.001 45.100 0.018 0.000 0.791 542 G HN 0.479 nan 8.290 nan 0.000 0.537 543 S N -0.180 115.537 115.700 0.027 0.000 2.597 543 S HA 0.371 4.842 4.470 0.001 0.000 0.224 543 S C 0.673 175.307 174.600 0.057 0.000 0.955 543 S CA 0.148 58.369 58.200 0.035 0.000 0.933 543 S CB 0.044 63.262 63.200 0.029 0.000 0.788 543 S HN 0.450 nan 8.310 nan 0.000 0.488 544 S N 0.483 116.221 115.700 0.062 0.000 2.549 544 S HA 0.813 5.284 4.470 0.001 0.000 0.280 544 S C -0.638 174.018 174.600 0.092 0.000 1.109 544 S CA -0.422 57.837 58.200 0.097 0.000 0.905 544 S CB 1.680 64.943 63.200 0.105 0.000 1.081 544 S HN 0.934 nan 8.310 nan 0.000 0.477 545 V N -0.543 119.445 119.914 0.124 0.000 3.102 545 V HA 1.028 5.149 4.120 0.001 0.000 0.312 545 V C -0.362 175.835 176.094 0.172 0.000 1.135 545 V CA -0.419 61.952 62.300 0.118 0.000 1.022 545 V CB 1.240 33.123 31.823 0.101 0.000 1.056 545 V HN 1.549 nan 8.190 nan 0.000 0.436 546 S N 0.114 115.908 115.700 0.155 0.000 2.579 546 S HA 1.023 5.493 4.470 0.001 0.000 0.272 546 S C -0.330 174.364 174.600 0.156 0.000 1.141 546 S CA -0.108 58.210 58.200 0.197 0.000 0.843 546 S CB 1.590 64.890 63.200 0.166 0.000 1.122 546 S HN 2.364 nan 8.310 nan 0.000 0.468 547 G N -0.029 108.883 108.800 0.188 0.000 2.623 547 G HA2 0.598 4.559 3.960 0.001 0.000 0.290 547 G HA3 0.598 4.559 3.960 0.001 0.000 0.290 547 G C -1.576 173.252 174.900 -0.120 0.000 1.437 547 G CA -0.619 44.452 45.100 -0.049 0.000 0.798 547 G HN 0.788 nan 8.290 nan 0.000 0.488 548 T N 0.729 115.029 114.554 -0.422 0.000 2.797 548 T HA 0.688 5.039 4.350 0.001 0.000 0.279 548 T C -1.211 173.196 174.700 -0.488 0.000 0.991 548 T CA 0.022 61.991 62.100 -0.218 0.000 0.979 548 T CB 0.661 69.457 68.868 -0.120 0.000 0.943 548 T HN 0.292 nan 8.240 nan 0.000 0.444 549 F N 0.755 120.815 119.950 0.184 0.000 2.576 549 F HA 0.717 5.245 4.527 0.001 0.000 0.313 549 F C 0.793 176.716 175.800 0.205 0.000 1.078 549 F CA -0.857 57.245 58.000 0.170 0.000 0.921 549 F CB 2.012 41.086 39.000 0.123 0.000 1.232 549 F HN 0.707 nan 8.300 nan 0.000 0.459 550 G N -0.463 108.562 108.800 0.376 0.000 2.971 550 G HA2 0.346 4.307 3.960 0.001 0.000 0.235 550 G HA3 0.346 4.307 3.960 0.001 0.000 0.235 550 G C 0.741 175.649 174.900 0.014 0.000 1.351 550 G CA -0.207 44.971 45.100 0.129 0.000 1.039 550 G HN 1.006 nan 8.290 nan 0.000 0.563 551 C N -0.980 118.258 119.300 -0.104 0.000 2.437 551 C HA 0.160 4.621 4.460 0.001 0.000 0.283 551 C C 2.447 177.440 174.990 0.005 0.000 1.424 551 C CA 0.025 58.993 59.018 -0.083 0.000 1.782 551 C CB -1.596 26.070 27.740 -0.124 0.000 1.833 551 C HN 0.404 nan 8.230 nan 0.000 0.532 552 L N 1.374 122.645 121.223 0.081 0.000 2.478 552 L HA 0.266 4.607 4.340 0.001 0.000 0.223 552 L C 1.946 178.975 176.870 0.265 0.000 1.140 552 L CA 0.804 55.731 54.840 0.145 0.000 0.842 552 L CB -1.167 40.994 42.059 0.169 0.000 0.953 552 L HN 0.727 nan 8.230 nan 0.000 0.452 553 G N -0.087 108.865 108.800 0.253 0.000 2.569 553 G HA2 0.042 4.002 3.960 0.001 0.000 0.259 553 G HA3 0.042 4.002 3.960 0.001 0.000 0.259 553 G C 0.112 175.266 174.900 0.422 0.000 1.263 553 G CA -0.299 44.991 45.100 0.315 0.000 0.928 553 G HN 0.795 nan 8.290 nan 0.000 0.572 554 G N -1.817 107.161 108.800 0.297 0.000 2.362 554 G HA2 0.617 4.577 3.960 0.001 0.000 0.288 554 G HA3 0.617 4.577 3.960 0.001 0.000 0.288 554 G C -0.940 173.868 174.900 -0.153 0.000 1.305 554 G CA 0.434 45.585 45.100 0.085 0.000 0.910 554 G HN 1.468 nan 8.290 nan 0.000 0.518 555 R N -0.809 119.659 120.500 -0.054 0.000 2.628 555 R HA 0.720 5.061 4.340 0.001 0.000 0.288 555 R C -1.597 174.734 176.300 0.051 0.000 0.980 555 R CA -0.741 55.301 56.100 -0.097 0.000 0.891 555 R CB 1.623 31.861 30.300 -0.102 0.000 1.188 555 R HN 0.557 nan 8.270 nan 0.000 0.450 556 L N 2.418 123.639 121.223 -0.003 0.000 2.317 556 L HA 0.610 4.951 4.340 0.001 0.000 0.281 556 L C -0.986 175.911 176.870 0.045 0.000 1.024 556 L CA 0.148 55.052 54.840 0.107 0.000 0.810 556 L CB 2.261 44.385 42.059 0.109 0.000 1.240 556 L HN 0.723 nan 8.230 nan 0.000 0.427 557 T N 5.121 119.708 114.554 0.056 0.000 2.971 557 T HA 0.543 4.893 4.350 0.001 0.000 0.304 557 T C -0.425 174.296 174.700 0.035 0.000 1.038 557 T CA -0.268 61.850 62.100 0.029 0.000 1.007 557 T CB 1.156 70.031 68.868 0.012 0.000 1.055 557 T HN 0.306 nan 8.240 nan 0.000 0.451 558 I N 4.567 125.154 120.570 0.028 0.000 2.281 558 I HA 0.270 4.440 4.170 0.001 0.000 0.293 558 I C -2.232 173.893 176.117 0.014 0.000 1.085 558 I CA -2.228 59.088 61.300 0.027 0.000 1.257 558 I CB 0.674 38.693 38.000 0.032 0.000 1.430 558 I HN 0.271 nan 8.210 nan 0.000 0.489 559 P HA 0.055 nan 4.420 nan 0.000 0.265 559 P C 0.898 178.198 177.300 -0.000 0.000 1.193 559 P CA 0.532 63.635 63.100 0.004 0.000 0.765 559 P CB 0.654 32.357 31.700 0.005 0.000 0.823 560 G N 2.081 110.877 108.800 -0.006 0.000 2.143 560 G HA2 -0.269 3.692 3.960 0.001 0.000 0.249 560 G HA3 -0.269 3.692 3.960 0.001 0.000 0.249 560 G C 0.708 175.600 174.900 -0.012 0.000 0.981 560 G CA 0.652 45.747 45.100 -0.008 0.000 0.665 560 G HN 0.667 nan 8.290 nan 0.000 0.528 561 T N -4.303 110.243 114.554 -0.013 0.000 2.987 561 T HA 0.473 4.824 4.350 0.001 0.000 0.248 561 T C 2.400 177.082 174.700 -0.029 0.000 0.997 561 T CA 1.742 63.832 62.100 -0.017 0.000 1.013 561 T CB 0.557 69.421 68.868 -0.006 0.000 1.077 561 T HN 2.096 nan 8.240 nan 0.000 0.483 562 G N 0.986 109.767 108.800 -0.031 0.000 2.175 562 G HA2 -0.194 3.767 3.960 0.001 0.000 0.244 562 G HA3 -0.194 3.767 3.960 0.001 0.000 0.244 562 G C 0.002 174.879 174.900 -0.039 0.000 0.982 562 G CA -0.021 45.052 45.100 -0.045 0.000 0.641 562 G HN 0.783 nan 8.290 nan 0.000 0.527 563 V N 1.853 121.754 119.914 -0.022 0.000 2.407 563 V HA 0.755 4.876 4.120 0.001 0.000 0.278 563 V C 0.517 176.609 176.094 -0.003 0.000 1.037 563 V CA 0.337 62.630 62.300 -0.012 0.000 0.900 563 V CB 1.377 33.202 31.823 0.003 0.000 0.983 563 V HN 1.233 nan 8.190 nan 0.000 0.459 564 S N 5.090 120.787 115.700 -0.005 0.000 2.570 564 S HA 0.792 5.263 4.470 0.001 0.000 0.270 564 S C -1.384 173.207 174.600 -0.015 0.000 1.149 564 S CA -0.829 57.368 58.200 -0.006 0.000 0.837 564 S CB 1.994 65.189 63.200 -0.009 0.000 1.124 564 S HN 0.648 nan 8.310 nan 0.000 0.465 565 L N 2.035 123.238 121.223 -0.032 0.000 2.343 565 L HA 0.742 5.083 4.340 0.001 0.000 0.278 565 L C -1.429 175.384 176.870 -0.095 0.000 0.996 565 L CA -0.772 54.032 54.840 -0.060 0.000 0.831 565 L CB 1.396 43.410 42.059 -0.075 0.000 1.232 565 L HN 0.853 nan 8.230 nan 0.000 0.413 566 L N 6.533 127.719 121.223 -0.062 0.000 2.257 566 L HA 0.589 4.930 4.340 0.001 0.000 0.290 566 L C -1.020 175.827 176.870 -0.039 0.000 1.044 566 L CA -0.076 54.740 54.840 -0.039 0.000 0.810 566 L CB 1.428 43.502 42.059 0.026 0.000 1.193 566 L HN 0.429 nan 8.230 nan 0.000 0.425 567 V N 7.999 127.861 119.914 -0.088 0.000 2.294 567 V HA 0.423 4.544 4.120 0.001 0.000 0.272 567 V C -2.031 174.109 176.094 0.077 0.000 1.027 567 V CA -1.477 60.773 62.300 -0.083 0.000 0.823 567 V CB 0.793 32.441 31.823 -0.291 0.000 1.030 567 V HN 0.713 nan 8.190 nan 0.000 0.457 568 P HA 0.118 nan 4.420 nan 0.000 0.274 568 P C -0.115 177.151 177.300 -0.056 0.000 1.246 568 P CA -0.558 62.538 63.100 -0.007 0.000 0.795 568 P CB 0.469 32.132 31.700 -0.062 0.000 1.006 569 N N 0.625 119.190 118.700 -0.226 0.000 2.294 569 N HA 0.154 4.895 4.740 0.001 0.000 0.263 569 N C 1.250 176.696 175.510 -0.106 0.000 1.281 569 N CA 1.738 54.697 53.050 -0.152 0.000 0.846 569 N CB -0.464 37.878 38.487 -0.241 0.000 1.061 569 N HN 0.721 nan 8.380 nan 0.000 0.478 570 G N 1.708 110.464 108.800 -0.073 0.000 2.176 570 G HA2 -0.315 3.645 3.960 0.001 0.000 0.253 570 G HA3 -0.315 3.645 3.960 0.001 0.000 0.253 570 G C 0.902 175.764 174.900 -0.063 0.000 0.979 570 G CA 0.525 45.581 45.100 -0.074 0.000 0.641 570 G HN 0.881 nan 8.290 nan 0.000 0.530 571 A N -0.424 122.365 122.820 -0.051 0.000 1.929 571 A HA 0.514 4.835 4.320 0.001 0.000 0.216 571 A C 1.247 178.804 177.584 -0.046 0.000 1.176 571 A CA 1.213 53.233 52.037 -0.028 0.000 0.628 571 A CB -0.028 18.968 19.000 -0.006 0.000 0.816 571 A HN 0.767 nan 8.150 nan 0.000 0.444 572 I N 1.064 121.563 120.570 -0.117 0.000 2.342 572 I HA 0.235 4.405 4.170 0.001 0.000 0.291 572 I C -2.382 173.584 176.117 -0.252 0.000 1.010 572 I CA -2.407 58.718 61.300 -0.292 0.000 1.308 572 I CB 1.464 39.193 38.000 -0.453 0.000 1.400 572 I HN 0.002 nan 8.210 nan 0.000 0.488 573 P HA -0.054 nan 4.420 nan 0.000 0.265 573 P C -0.854 176.323 177.300 -0.204 0.000 1.187 573 P CA -0.116 62.893 63.100 -0.152 0.000 0.766 573 P CB 0.272 31.923 31.700 -0.082 0.000 0.820 574 Q N 1.836 121.546 119.800 -0.150 0.000 2.315 574 Q HA 0.136 4.476 4.340 0.001 0.000 0.289 574 Q C 1.557 177.436 176.000 -0.200 0.000 1.044 574 Q CA 1.297 57.004 55.803 -0.160 0.000 0.920 574 Q CB -0.232 28.447 28.738 -0.099 0.000 1.214 574 Q HN 0.912 nan 8.270 nan 0.000 0.392 575 G N 2.147 110.782 108.800 -0.275 0.000 2.189 575 G HA2 -0.309 3.652 3.960 0.001 0.000 0.267 575 G HA3 -0.309 3.652 3.960 0.001 0.000 0.267 575 G C 0.104 174.699 174.900 -0.508 0.000 0.975 575 G CA 0.667 45.576 45.100 -0.318 0.000 0.644 575 G HN 0.470 nan 8.290 nan 0.000 0.537 576 K N -0.927 119.118 120.400 -0.593 0.000 2.166 576 K HA 0.760 5.080 4.320 0.001 0.000 0.245 576 K C -0.844 175.224 176.600 -0.885 0.000 0.967 576 K CA -0.688 55.273 56.287 -0.543 0.000 0.863 576 K CB 1.064 33.412 32.500 -0.253 0.000 1.107 576 K HN 0.075 nan 8.250 nan 0.000 0.436 577 F N 1.228 121.184 119.950 0.010 0.000 2.561 577 F HA 0.346 4.873 4.527 0.000 0.000 0.313 577 F C -0.897 175.073 175.800 0.284 0.000 1.126 577 F CA -1.018 57.015 58.000 0.055 0.000 0.918 577 F CB 1.207 40.243 39.000 0.061 0.000 1.199 577 F HN 0.264 nan 8.300 nan 0.000 0.444 578 Y N 1.378 121.845 120.300 0.278 0.000 2.364 578 Y HA 0.358 4.909 4.550 0.001 0.000 0.340 578 Y C -0.328 175.714 175.900 0.236 0.000 0.975 578 Y CA -2.067 56.164 58.100 0.217 0.000 1.089 578 Y CB 1.336 39.909 38.460 0.187 0.000 1.192 578 Y HN 0.460 nan 8.280 nan 0.000 0.454 579 D N 4.468 125.067 120.400 0.332 0.000 2.339 579 D HA 0.398 5.038 4.640 0.001 0.000 0.241 579 D C -0.322 176.146 176.300 0.281 0.000 1.183 579 D CA 0.144 54.294 54.000 0.250 0.000 0.859 579 D CB 0.857 41.755 40.800 0.163 0.000 1.067 579 D HN 0.369 nan 8.370 nan 0.000 0.484 580 L N 2.321 123.750 121.223 0.343 0.000 2.319 580 L HA 0.571 4.912 4.340 0.001 0.000 0.267 580 L C -0.481 176.582 176.870 0.323 0.000 1.011 580 L CA -1.345 53.672 54.840 0.295 0.000 0.818 580 L CB 1.210 43.429 42.059 0.265 0.000 1.316 580 L HN 0.338 nan 8.230 nan 0.000 0.432 581 Y N 0.732 121.112 120.300 0.133 0.000 2.605 581 Y HA 0.867 5.418 4.550 0.001 0.000 0.343 581 Y C -1.570 174.385 175.900 0.092 0.000 1.036 581 Y CA -1.620 56.545 58.100 0.108 0.000 1.065 581 Y CB 1.669 40.175 38.460 0.076 0.000 1.288 581 Y HN 0.371 nan 8.280 nan 0.000 0.481 582 L N 2.939 124.263 121.223 0.168 0.000 2.470 582 L HA 0.656 4.996 4.340 0.001 0.000 0.268 582 L C -1.330 175.643 176.870 0.173 0.000 0.964 582 L CA -0.728 54.154 54.840 0.070 0.000 0.839 582 L CB 2.009 44.099 42.059 0.052 0.000 1.276 582 L HN 0.958 nan 8.230 nan 0.000 0.403 583 R N 4.975 125.573 120.500 0.163 0.000 2.621 583 R HA 0.682 5.022 4.340 0.001 0.000 0.284 583 R C -1.558 174.812 176.300 0.116 0.000 0.998 583 R CA -0.694 55.505 56.100 0.166 0.000 0.895 583 R CB 1.556 31.997 30.300 0.235 0.000 1.195 583 R HN 0.731 nan 8.270 nan 0.000 0.450 584 I N 3.820 124.444 120.570 0.089 0.000 2.365 584 I HA 0.212 4.382 4.170 0.001 0.000 0.291 584 I C 0.029 176.192 176.117 0.078 0.000 1.004 584 I CA -0.740 60.605 61.300 0.075 0.000 1.311 584 I CB 1.267 39.297 38.000 0.050 0.000 1.401 584 I HN 0.501 nan 8.210 nan 0.000 0.491 585 N N 6.019 124.773 118.700 0.090 0.000 2.495 585 N HA 0.234 4.975 4.740 0.001 0.000 0.280 585 N C -0.440 175.113 175.510 0.072 0.000 1.168 585 N CA -0.729 52.375 53.050 0.090 0.000 0.978 585 N CB 0.916 39.478 38.487 0.125 0.000 1.191 585 N HN 0.429 nan 8.380 nan 0.000 0.497 586 K N 0.582 121.019 120.400 0.062 0.000 2.543 586 K HA -0.070 4.251 4.320 0.001 0.000 0.279 586 K C 1.011 177.639 176.600 0.047 0.000 1.001 586 K CA 0.411 56.725 56.287 0.047 0.000 1.088 586 K CB 0.175 32.701 32.500 0.043 0.000 0.863 586 K HN 0.485 nan 8.250 nan 0.000 0.488 587 T N 2.809 117.379 114.554 0.027 0.000 2.760 587 T HA -0.174 4.177 4.350 0.001 0.000 0.269 587 T C 0.988 175.697 174.700 0.015 0.000 1.047 587 T CA 1.685 63.793 62.100 0.014 0.000 1.139 587 T CB -0.102 68.766 68.868 0.001 0.000 0.855 587 T HN 0.577 nan 8.240 nan 0.000 0.471 588 E N 1.201 121.416 120.200 0.025 0.000 2.442 588 E HA 0.044 4.395 4.350 0.001 0.000 0.195 588 E C 2.258 178.890 176.600 0.053 0.000 1.030 588 E CA 0.522 56.938 56.400 0.027 0.000 0.869 588 E CB -0.175 29.538 29.700 0.023 0.000 0.857 588 E HN 0.574 nan 8.360 nan 0.000 0.505 589 S N -0.083 115.666 115.700 0.082 0.000 2.507 589 S HA -0.107 4.363 4.470 0.001 0.000 0.235 589 S C 1.722 176.453 174.600 0.218 0.000 0.988 589 S CA 1.139 59.425 58.200 0.143 0.000 0.944 589 S CB -0.610 62.686 63.200 0.161 0.000 0.762 589 S HN 0.327 nan 8.310 nan 0.000 0.526 590 T N -1.198 113.420 114.554 0.107 0.000 3.134 590 T HA 0.354 4.705 4.350 0.001 0.000 0.260 590 T C 1.209 175.874 174.700 -0.059 0.000 1.027 590 T CA -0.185 61.903 62.100 -0.020 0.000 0.913 590 T CB -0.043 68.699 68.868 -0.210 0.000 1.046 590 T HN 0.181 nan 8.240 nan 0.000 0.553 591 L N 2.565 123.792 121.223 0.007 0.000 2.051 591 L HA 0.063 4.404 4.340 0.001 0.000 0.214 591 L C -0.990 175.874 176.870 -0.011 0.000 1.076 591 L CA 1.864 56.702 54.840 -0.004 0.000 0.758 591 L CB -1.277 40.793 42.059 0.019 0.000 0.890 591 L HN 0.134 nan 8.230 nan 0.000 0.433 592 P HA -0.147 nan 4.420 nan 0.000 0.223 592 P C 1.678 178.953 177.300 -0.042 0.000 1.144 592 P CA 1.316 64.425 63.100 0.015 0.000 0.783 592 P CB -0.051 31.698 31.700 0.082 0.000 0.771 593 L N -2.409 118.740 121.223 -0.123 0.000 2.567 593 L HA 0.095 4.436 4.340 0.001 0.000 0.225 593 L C 0.520 177.305 176.870 -0.142 0.000 1.119 593 L CA 0.448 55.172 54.840 -0.193 0.000 0.871 593 L CB -0.078 41.741 42.059 -0.399 0.000 1.036 593 L HN -0.218 nan 8.230 nan 0.000 0.459 594 S N 1.148 116.790 115.700 -0.097 0.000 2.475 594 S HA 0.349 4.819 4.470 0.001 0.000 0.249 594 S C -0.473 174.111 174.600 -0.026 0.000 1.298 594 S CA -0.533 57.627 58.200 -0.067 0.000 1.125 594 S CB 0.150 63.312 63.200 -0.063 0.000 1.054 594 S HN 0.348 nan 8.310 nan 0.000 0.484 595 E N 0.519 120.706 120.200 -0.020 0.000 2.354 595 E HA 0.678 5.029 4.350 0.001 0.000 0.283 595 E C 0.541 177.114 176.600 -0.045 0.000 0.938 595 E CA -0.836 55.539 56.400 -0.042 0.000 0.777 595 E CB 0.539 30.208 29.700 -0.051 0.000 1.222 595 E HN 0.327 nan 8.360 nan 0.000 0.423 596 G N 2.769 111.456 108.800 -0.187 0.000 2.660 596 G HA2 -0.468 3.493 3.960 0.001 0.000 0.321 596 G HA3 -0.468 3.493 3.960 0.001 0.000 0.321 596 G C 1.183 176.197 174.900 0.189 0.000 1.246 596 G CA 1.485 46.470 45.100 -0.192 0.000 1.000 596 G HN 1.379 nan 8.290 nan 0.000 0.550 597 S N 0.386 116.124 115.700 0.064 0.000 2.481 597 S HA 0.162 4.632 4.470 0.001 0.000 0.231 597 S C 1.040 175.775 174.600 0.225 0.000 0.996 597 S CA 1.571 59.800 58.200 0.050 0.000 0.942 597 S CB -0.008 62.857 63.200 -0.558 0.000 0.768 597 S HN 0.791 nan 8.310 nan 0.000 0.520 598 Q N 1.067 120.938 119.800 0.118 0.000 2.261 598 Q HA 0.568 4.909 4.340 0.001 0.000 0.252 598 Q C -0.542 175.452 176.000 -0.009 0.000 0.915 598 Q CA -0.093 55.736 55.803 0.044 0.000 0.915 598 Q CB 1.444 30.172 28.738 -0.016 0.000 1.204 598 Q HN 0.195 nan 8.270 nan 0.000 0.421 599 T N 0.848 115.345 114.554 -0.094 0.000 2.903 599 T HA 0.464 4.814 4.350 0.001 0.000 0.299 599 T C -1.064 173.502 174.700 -0.222 0.000 1.093 599 T CA -0.584 61.389 62.100 -0.212 0.000 1.002 599 T CB 1.456 70.065 68.868 -0.431 0.000 1.127 599 T HN 0.318 nan 8.240 nan 0.000 0.488 600 V N 5.608 125.387 119.914 -0.225 0.000 2.465 600 V HA 0.380 4.500 4.120 0.001 0.000 0.279 600 V C 0.859 176.831 176.094 -0.203 0.000 1.045 600 V CA -0.188 61.975 62.300 -0.228 0.000 0.938 600 V CB 1.328 33.026 31.823 -0.208 0.000 0.986 600 V HN 0.840 nan 8.190 nan 0.000 0.467 601 L N 3.364 124.477 121.223 -0.183 0.000 2.556 601 L HA 0.221 4.561 4.340 0.001 0.000 0.226 601 L C 0.969 177.846 176.870 0.012 0.000 1.089 601 L CA 0.399 55.170 54.840 -0.116 0.000 0.864 601 L CB 0.611 42.579 42.059 -0.152 0.000 1.067 601 L HN 0.796 nan 8.230 nan 0.000 0.477 602 S N -1.166 114.546 115.700 0.019 0.000 2.667 602 S HA 0.651 5.122 4.470 0.001 0.000 0.292 602 S C -2.836 171.762 174.600 -0.003 0.000 1.126 602 S CA -1.479 56.743 58.200 0.036 0.000 0.881 602 S CB 1.808 65.063 63.200 0.091 0.000 1.132 602 S HN -0.229 nan 8.310 nan 0.000 0.492 603 P HA 0.165 nan 4.420 nan 0.000 0.269 603 P C -0.322 177.000 177.300 0.037 0.000 1.215 603 P CA -0.098 63.008 63.100 0.011 0.000 0.780 603 P CB 0.398 32.107 31.700 0.016 0.000 0.898 604 S N 1.018 116.753 115.700 0.058 0.000 2.523 604 S HA 0.339 4.810 4.470 0.001 0.000 0.275 604 S C -0.445 174.244 174.600 0.149 0.000 1.281 604 S CA -0.450 57.832 58.200 0.136 0.000 1.050 604 S CB -0.318 63.012 63.200 0.216 0.000 0.937 604 S HN 0.206 nan 8.310 nan 0.000 0.492 605 V N 4.895 124.915 119.914 0.177 0.000 2.638 605 V HA 0.461 4.582 4.120 0.001 0.000 0.306 605 V C -0.113 176.075 176.094 0.157 0.000 1.052 605 V CA -0.743 61.643 62.300 0.144 0.000 0.885 605 V CB 2.294 34.183 31.823 0.110 0.000 0.999 605 V HN 0.950 nan 8.190 nan 0.000 0.424 606 T N 3.881 118.505 114.554 0.118 0.000 2.794 606 T HA 0.506 4.856 4.350 0.001 0.000 0.280 606 T C -0.271 174.408 174.700 -0.035 0.000 0.987 606 T CA -0.346 61.798 62.100 0.073 0.000 0.993 606 T CB 0.792 69.734 68.868 0.122 0.000 0.939 606 T HN 0.970 nan 8.240 nan 0.000 0.449 607 C N 1.502 120.743 119.300 -0.098 0.000 2.507 607 C HA 1.086 5.546 4.460 0.001 0.000 0.319 607 C C 0.648 175.390 174.990 -0.413 0.000 1.208 607 C CA -0.523 58.320 59.018 -0.291 0.000 1.619 607 C CB 0.523 28.197 27.740 -0.110 0.000 2.230 607 C HN 1.113 nan 8.230 nan 0.000 0.492 608 G N 1.902 110.236 108.800 -0.777 0.000 2.500 608 G HA2 0.771 4.732 3.960 0.001 0.000 0.299 608 G HA3 0.771 4.732 3.960 0.001 0.000 0.299 608 G C -3.450 171.312 174.900 -0.230 0.000 1.242 608 G CA -0.691 44.151 45.100 -0.430 0.000 0.859 608 G HN 0.599 nan 8.290 nan 0.000 0.481 609 P HA 0.258 nan 4.420 nan 0.000 0.272 609 P C 0.519 177.828 177.300 0.016 0.000 1.240 609 P CA 0.176 63.361 63.100 0.142 0.000 0.791 609 P CB 0.483 32.275 31.700 0.153 0.000 0.978 610 T N -3.507 111.060 114.554 0.023 0.000 2.788 610 T HA 0.450 4.801 4.350 0.001 0.000 0.287 610 T C 1.166 175.857 174.700 -0.015 0.000 1.007 610 T CA 0.317 62.417 62.100 0.001 0.000 1.005 610 T CB -0.024 68.846 68.868 0.004 0.000 1.012 610 T HN 0.817 nan 8.240 nan 0.000 0.530 611 G N 0.142 108.930 108.800 -0.020 0.000 2.176 611 G HA2 -0.168 3.793 3.960 0.001 0.000 0.232 611 G HA3 -0.168 3.793 3.960 0.001 0.000 0.232 611 G C -0.125 174.735 174.900 -0.067 0.000 0.986 611 G CA -0.047 45.035 45.100 -0.029 0.000 0.643 611 G HN 0.844 nan 8.290 nan 0.000 0.522 612 L N 0.557 121.715 121.223 -0.109 0.000 2.325 612 L HA 0.690 5.031 4.340 0.001 0.000 0.279 612 L C 0.712 177.564 176.870 -0.029 0.000 1.054 612 L CA -1.255 53.457 54.840 -0.214 0.000 0.804 612 L CB 1.453 43.180 42.059 -0.553 0.000 1.200 612 L HN 0.156 nan 8.230 nan 0.000 0.436 613 L N 4.325 125.584 121.223 0.060 0.000 2.361 613 L HA 0.327 4.667 4.340 0.001 0.000 0.278 613 L C -0.739 176.267 176.870 0.227 0.000 1.113 613 L CA 0.546 55.466 54.840 0.135 0.000 0.849 613 L CB 0.136 42.272 42.059 0.127 0.000 1.155 613 L HN 0.381 nan 8.230 nan 0.000 0.452 614 L N 5.556 126.868 121.223 0.149 0.000 2.317 614 L HA 0.352 4.693 4.340 0.001 0.000 0.281 614 L C 0.625 177.535 176.870 0.066 0.000 1.024 614 L CA -0.763 54.153 54.840 0.127 0.000 0.810 614 L CB 1.600 43.726 42.059 0.112 0.000 1.240 614 L HN 0.748 nan 8.230 nan 0.000 0.427 615 C N 0.867 120.187 119.300 0.034 0.000 2.590 615 C HA 0.229 4.690 4.460 0.001 0.000 0.272 615 C C 1.128 176.113 174.990 -0.008 0.000 1.338 615 C CA -0.101 58.920 59.018 0.005 0.000 1.746 615 C CB -0.607 27.123 27.740 -0.017 0.000 2.020 615 C HN 0.727 nan 8.230 nan 0.000 0.531 616 R N -0.018 120.482 120.500 -0.000 0.000 2.774 616 R HA 0.408 4.749 4.340 0.001 0.000 0.272 616 R C -3.063 173.255 176.300 0.029 0.000 1.000 616 R CA -1.479 54.618 56.100 -0.004 0.000 0.906 616 R CB 0.794 31.080 30.300 -0.024 0.000 1.227 616 R HN -0.096 nan 8.270 nan 0.000 0.468 617 P HA 0.031 nan 4.420 nan 0.000 0.272 617 P C -0.584 176.757 177.300 0.068 0.000 1.230 617 P CA -0.489 62.669 63.100 0.096 0.000 0.788 617 P CB 0.595 32.411 31.700 0.192 0.000 0.949 618 V N -0.596 119.351 119.914 0.054 0.000 3.093 618 V HA 0.623 4.743 4.120 0.001 0.000 0.320 618 V C -0.474 175.634 176.094 0.023 0.000 1.093 618 V CA -0.864 61.452 62.300 0.026 0.000 1.016 618 V CB 1.861 33.685 31.823 0.001 0.000 1.096 618 V HN 0.175 nan 8.190 nan 0.000 0.452 619 V N 3.100 123.021 119.914 0.011 0.000 2.357 619 V HA 0.448 4.569 4.120 0.001 0.000 0.284 619 V C -0.327 175.756 176.094 -0.019 0.000 1.018 619 V CA -0.302 62.003 62.300 0.008 0.000 0.841 619 V CB 0.968 32.809 31.823 0.031 0.000 0.991 619 V HN 0.820 nan 8.190 nan 0.000 0.437 620 L N 5.336 126.527 121.223 -0.053 0.000 2.257 620 L HA 0.626 4.966 4.340 0.001 0.000 0.290 620 L C 0.309 177.150 176.870 -0.049 0.000 1.044 620 L CA 0.759 55.562 54.840 -0.061 0.000 0.810 620 L CB 1.455 43.452 42.059 -0.103 0.000 1.193 620 L HN 0.701 nan 8.230 nan 0.000 0.425 621 T N 5.334 119.881 114.554 -0.013 0.000 2.767 621 T HA 0.642 4.993 4.350 0.001 0.000 0.284 621 T C -0.547 174.109 174.700 -0.072 0.000 0.973 621 T CA -0.369 61.722 62.100 -0.015 0.000 0.996 621 T CB 1.205 70.140 68.868 0.111 0.000 0.927 621 T HN 0.557 nan 8.240 nan 0.000 0.456 622 V N 1.813 121.641 119.914 -0.144 0.000 2.876 622 V HA 0.846 4.966 4.120 0.001 0.000 0.312 622 V C -2.903 173.089 176.094 -0.170 0.000 1.085 622 V CA -3.052 59.178 62.300 -0.117 0.000 0.945 622 V CB 2.117 33.895 31.823 -0.075 0.000 1.017 622 V HN 0.557 nan 8.190 nan 0.000 0.428 623 P HA 0.489 nan 4.420 nan 0.000 0.276 623 P C -1.389 175.837 177.300 -0.123 0.000 1.244 623 P CA 0.299 63.289 63.100 -0.183 0.000 0.801 623 P CB 0.848 32.466 31.700 -0.137 0.000 1.006 624 H N -1.654 117.318 119.070 -0.163 0.000 2.949 624 H HA 0.523 5.080 4.556 0.001 0.000 0.356 624 H C 0.058 175.320 175.328 -0.111 0.000 1.212 624 H CA -0.820 55.152 56.048 -0.126 0.000 1.136 624 H CB 0.585 30.271 29.762 -0.127 0.000 1.869 624 H HN 0.511 nan 8.280 nan 0.000 0.556 625 C N 0.101 119.470 119.300 0.115 0.000 2.881 625 C HA 0.898 5.358 4.460 0.001 0.000 0.290 625 C C 0.853 175.904 174.990 0.102 0.000 1.362 625 C CA -0.028 59.022 59.018 0.054 0.000 1.757 625 C CB -1.547 26.192 27.740 -0.001 0.000 2.265 625 C HN 0.867 nan 8.230 nan 0.000 0.600 626 A N 1.145 124.094 122.820 0.216 0.000 2.354 626 A HA 0.531 4.852 4.320 0.001 0.000 0.269 626 A C 0.145 177.833 177.584 0.174 0.000 1.109 626 A CA 0.077 52.095 52.037 -0.030 0.000 0.800 626 A CB 0.316 19.019 19.000 -0.494 0.000 1.045 626 A HN 0.564 nan 8.150 nan 0.000 0.489 627 E N 2.340 122.701 120.200 0.268 0.000 2.129 627 E HA 0.175 4.525 4.350 0.001 0.000 0.283 627 E C 0.547 177.352 176.600 0.342 0.000 1.080 627 E CA -0.104 56.468 56.400 0.286 0.000 0.867 627 E CB 1.337 31.217 29.700 0.300 0.000 1.056 627 E HN 0.450 nan 8.360 nan 0.000 0.404 628 V N 3.920 123.982 119.914 0.247 0.000 2.331 628 V HA -0.209 3.911 4.120 0.001 0.000 0.242 628 V C 2.554 178.837 176.094 0.314 0.000 1.034 628 V CA 1.884 64.341 62.300 0.262 0.000 1.027 628 V CB -0.608 31.252 31.823 0.063 0.000 0.667 628 V HN 0.750 nan 8.190 nan 0.000 0.457 629 I N 0.335 121.036 120.570 0.219 0.000 2.127 629 I HA -0.033 4.138 4.170 0.001 0.000 0.241 629 I C 2.105 178.345 176.117 0.206 0.000 1.075 629 I CA 2.102 63.513 61.300 0.186 0.000 1.334 629 I CB -1.493 36.586 38.000 0.133 0.000 1.040 629 I HN 0.394 nan 8.210 nan 0.000 0.405 630 A N 0.531 123.479 122.820 0.214 0.000 2.464 630 A HA 0.435 4.755 4.320 0.001 0.000 0.274 630 A C 1.757 179.448 177.584 0.178 0.000 1.633 630 A CA 0.515 52.660 52.037 0.180 0.000 1.015 630 A CB -1.500 17.606 19.000 0.175 0.000 1.454 630 A HN 1.948 nan 8.150 nan 0.000 0.665 631 G N -1.049 107.821 108.800 0.117 0.000 2.760 631 G HA2 0.286 4.246 3.960 0.001 0.000 0.236 631 G HA3 0.286 4.246 3.960 0.001 0.000 0.236 631 G C -0.426 174.468 174.900 -0.010 0.000 1.243 631 G CA 0.027 45.134 45.100 0.012 0.000 0.850 631 G HN 0.577 nan 8.290 nan 0.000 0.595 632 D N 0.160 120.511 120.400 -0.082 0.000 2.371 632 D HA 0.147 4.787 4.640 0.001 0.000 0.256 632 D C -0.440 175.732 176.300 -0.212 0.000 1.193 632 D CA 0.776 54.736 54.000 -0.066 0.000 0.881 632 D CB 0.733 41.505 40.800 -0.045 0.000 1.143 632 D HN 0.288 nan 8.370 nan 0.000 0.473 633 W N 2.007 123.149 121.300 -0.263 0.000 2.639 633 W HA 0.466 5.126 4.660 0.001 0.000 0.347 633 W C 0.139 176.319 176.519 -0.566 0.000 1.067 633 W CA -0.780 56.240 57.345 -0.542 0.000 1.218 633 W CB 1.064 29.777 29.460 -1.245 0.000 1.393 633 W HN 0.137 nan 8.180 nan 0.000 0.557 634 I N 3.581 124.049 120.570 -0.170 0.000 2.307 634 I HA 0.225 4.395 4.170 0.001 0.000 0.289 634 I C -0.748 175.228 176.117 -0.235 0.000 1.021 634 I CA -0.588 60.622 61.300 -0.150 0.000 1.224 634 I CB 0.074 38.050 38.000 -0.040 0.000 1.376 634 I HN 0.077 nan 8.210 nan 0.000 0.470 635 F N 4.821 124.751 119.950 -0.034 0.000 2.385 635 F HA 0.547 5.075 4.527 0.001 0.000 0.336 635 F C 0.338 175.986 175.800 -0.255 0.000 1.100 635 F CA -0.476 57.364 58.000 -0.266 0.000 1.116 635 F CB 1.047 39.940 39.000 -0.179 0.000 1.166 635 F HN 0.366 nan 8.300 nan 0.000 0.511 636 Q N 2.380 122.032 119.800 -0.247 0.000 2.309 636 Q HA 0.480 4.820 4.340 0.001 0.000 0.273 636 Q C -1.791 174.111 176.000 -0.163 0.000 1.040 636 Q CA -1.135 54.584 55.803 -0.140 0.000 0.834 636 Q CB 3.262 31.933 28.738 -0.112 0.000 1.345 636 Q HN 0.516 nan 8.270 nan 0.000 0.414 637 L N 2.073 123.318 121.223 0.036 0.000 2.275 637 L HA 0.481 4.822 4.340 0.001 0.000 0.288 637 L C -1.160 175.784 176.870 0.124 0.000 1.046 637 L CA 0.270 55.190 54.840 0.133 0.000 0.805 637 L CB 0.746 42.904 42.059 0.165 0.000 1.193 637 L HN 0.444 nan 8.230 nan 0.000 0.426 638 K N 2.709 123.195 120.400 0.143 0.000 2.267 638 K HA 0.624 4.944 4.320 0.001 0.000 0.246 638 K C -0.913 175.921 176.600 0.391 0.000 0.954 638 K CA -0.815 55.591 56.287 0.198 0.000 0.824 638 K CB 2.141 34.677 32.500 0.060 0.000 1.167 638 K HN 0.610 nan 8.250 nan 0.000 0.431 639 T N 0.411 115.178 114.554 0.355 0.000 2.907 639 T HA 0.188 4.539 4.350 0.001 0.000 0.292 639 T C -1.577 173.086 174.700 -0.062 0.000 1.043 639 T CA -0.610 61.559 62.100 0.116 0.000 1.003 639 T CB 1.511 70.291 68.868 -0.148 0.000 1.084 639 T HN 0.525 nan 8.240 nan 0.000 0.483 640 Q N 2.879 122.366 119.800 -0.523 0.000 2.413 640 Q HA 0.588 4.929 4.340 0.001 0.000 0.258 640 Q C 0.727 176.430 176.000 -0.495 0.000 1.037 640 Q CA -0.659 54.611 55.803 -0.888 0.000 0.764 640 Q CB 1.137 28.904 28.738 -1.617 0.000 1.217 640 Q HN 0.876 nan 8.270 nan 0.000 0.490 641 A N 3.803 126.422 122.820 -0.334 0.000 1.865 641 A HA -0.139 4.181 4.320 0.001 0.000 0.217 641 A C 0.380 177.882 177.584 -0.137 0.000 1.191 641 A CA 1.992 53.919 52.037 -0.182 0.000 0.623 641 A CB -0.412 18.543 19.000 -0.074 0.000 0.826 641 A HN 0.918 nan 8.150 nan 0.000 0.444 642 H N -3.673 115.296 119.070 -0.168 0.000 2.985 642 H HA 0.619 5.175 4.556 0.001 0.000 0.360 642 H C -0.676 174.541 175.328 -0.186 0.000 1.221 642 H CA -1.021 54.935 56.048 -0.152 0.000 1.121 642 H CB 0.155 29.847 29.762 -0.115 0.000 1.854 642 H HN 0.202 nan 8.280 nan 0.000 0.551 643 Q N 0.351 120.172 119.800 0.034 0.000 2.398 643 Q HA 0.163 4.504 4.340 0.001 0.000 0.329 643 Q C 0.779 176.784 176.000 0.009 0.000 1.079 643 Q CA 1.853 57.645 55.803 -0.017 0.000 1.041 643 Q CB 0.228 28.989 28.738 0.039 0.000 1.084 643 Q HN 1.161 nan 8.270 nan 0.000 0.386 644 G N 2.369 111.115 108.800 -0.089 0.000 2.162 644 G HA2 -0.308 3.653 3.960 0.001 0.000 0.260 644 G HA3 -0.308 3.653 3.960 0.001 0.000 0.260 644 G C -0.350 174.528 174.900 -0.036 0.000 0.976 644 G CA 0.528 45.632 45.100 0.005 0.000 0.655 644 G HN 0.793 nan 8.290 nan 0.000 0.533 645 H N -1.179 117.613 119.070 -0.464 0.000 2.727 645 H HA 0.592 5.148 4.556 0.001 0.000 0.330 645 H C -0.877 174.114 175.328 -0.561 0.000 0.986 645 H CA -0.929 54.842 56.048 -0.461 0.000 1.251 645 H CB 0.606 29.908 29.762 -0.767 0.000 1.493 645 H HN 0.249 nan 8.280 nan 0.000 0.515 646 W N 3.980 125.001 121.300 -0.465 0.000 2.666 646 W HA 0.513 5.174 4.660 0.002 0.000 0.334 646 W C -0.528 175.779 176.519 -0.353 0.000 1.051 646 W CA -0.576 56.582 57.345 -0.311 0.000 1.224 646 W CB 1.630 30.979 29.460 -0.185 0.000 1.405 646 W HN 0.425 nan 8.180 nan 0.000 0.513 647 E N 0.933 121.166 120.200 0.055 0.000 2.416 647 E HA 0.248 4.599 4.350 0.001 0.000 0.273 647 E C -1.099 175.556 176.600 0.091 0.000 0.935 647 E CA -1.129 55.288 56.400 0.028 0.000 0.784 647 E CB 1.861 31.569 29.700 0.012 0.000 1.301 647 E HN 0.464 nan 8.360 nan 0.000 0.454 648 E N 0.603 120.840 120.200 0.061 0.000 2.338 648 E HA 0.110 4.461 4.350 0.001 0.000 0.272 648 E C 0.770 177.419 176.600 0.082 0.000 1.029 648 E CA -0.167 56.272 56.400 0.064 0.000 0.872 648 E CB 1.258 30.979 29.700 0.036 0.000 1.015 648 E HN 0.145 nan 8.360 nan 0.000 0.417 649 V N 3.291 123.272 119.914 0.111 0.000 2.331 649 V HA -0.007 4.113 4.120 0.001 0.000 0.242 649 V C 0.576 176.711 176.094 0.069 0.000 1.034 649 V CA 0.659 63.029 62.300 0.117 0.000 1.027 649 V CB 0.385 32.317 31.823 0.182 0.000 0.667 649 V HN 0.435 nan 8.190 nan 0.000 0.457 650 V N -1.230 118.715 119.914 0.052 0.000 3.077 650 V HA 0.438 4.559 4.120 0.001 0.000 0.299 650 V C -1.012 175.091 176.094 0.016 0.000 1.276 650 V CA -0.313 61.998 62.300 0.018 0.000 0.993 650 V CB 2.506 34.322 31.823 -0.012 0.000 1.076 650 V HN 0.322 nan 8.190 nan 0.000 0.434 651 T N 6.414 120.973 114.554 0.007 0.000 2.767 651 T HA 0.543 4.894 4.350 0.001 0.000 0.288 651 T C -0.357 174.356 174.700 0.021 0.000 0.963 651 T CA -0.196 61.913 62.100 0.015 0.000 1.019 651 T CB 0.859 69.734 68.868 0.012 0.000 0.923 651 T HN 0.475 nan 8.240 nan 0.000 0.468 652 L N 4.862 126.123 121.223 0.063 0.000 2.540 652 L HA 0.135 4.475 4.340 0.001 0.000 0.276 652 L C 1.198 178.112 176.870 0.073 0.000 1.212 652 L CA 1.137 56.023 54.840 0.077 0.000 0.893 652 L CB -0.252 41.907 42.059 0.167 0.000 1.138 652 L HN 0.958 nan 8.230 nan 0.000 0.491 653 D N -0.158 120.267 120.400 0.041 0.000 2.802 653 D HA -0.224 4.417 4.640 0.001 0.000 0.191 653 D C 0.381 176.685 176.300 0.007 0.000 0.962 653 D CA 1.363 55.393 54.000 0.049 0.000 1.004 653 D CB -1.370 39.482 40.800 0.087 0.000 1.055 653 D HN 0.721 nan 8.370 nan 0.000 0.451 654 E N -0.025 120.155 120.200 -0.033 0.000 2.548 654 E HA 0.158 4.509 4.350 0.001 0.000 0.206 654 E C -0.386 176.138 176.600 -0.126 0.000 1.005 654 E CA -0.386 55.987 56.400 -0.046 0.000 0.951 654 E CB 0.319 30.009 29.700 -0.017 0.000 1.035 654 E HN 0.362 nan 8.360 nan 0.000 0.470 655 E N 1.947 121.977 120.200 -0.283 0.000 2.481 655 E HA -0.023 4.327 4.350 0.001 0.000 0.263 655 E C 0.299 176.620 176.600 -0.464 0.000 0.992 655 E CA 0.566 56.638 56.400 -0.546 0.000 0.938 655 E CB 0.611 29.578 29.700 -1.221 0.000 0.933 655 E HN 0.124 nan 8.360 nan 0.000 0.453 656 T N -0.861 113.570 114.554 -0.204 0.000 2.910 656 T HA 0.360 4.711 4.350 0.001 0.000 0.287 656 T C 1.018 175.846 174.700 0.212 0.000 1.050 656 T CA -0.909 61.222 62.100 0.052 0.000 1.011 656 T CB 0.492 69.392 68.868 0.054 0.000 1.195 656 T HN 0.362 nan 8.240 nan 0.000 0.540 657 L N 0.663 122.026 121.223 0.232 0.000 2.353 657 L HA -0.025 4.315 4.340 0.001 0.000 0.220 657 L C 1.938 178.895 176.870 0.145 0.000 1.133 657 L CA 0.855 55.816 54.840 0.201 0.000 0.798 657 L CB -0.533 41.602 42.059 0.128 0.000 0.922 657 L HN 0.614 nan 8.230 nan 0.000 0.445 658 N N -1.341 117.430 118.700 0.118 0.000 2.392 658 N HA -0.005 4.735 4.740 0.001 0.000 0.177 658 N C 0.432 176.007 175.510 0.108 0.000 1.066 658 N CA 0.228 53.335 53.050 0.095 0.000 0.895 658 N CB 0.054 38.583 38.487 0.070 0.000 0.988 658 N HN 0.106 nan 8.380 nan 0.000 0.457 659 T N 3.491 118.112 114.554 0.111 0.000 2.822 659 T HA 0.011 4.362 4.350 0.001 0.000 0.288 659 T C -1.775 173.030 174.700 0.174 0.000 0.991 659 T CA -0.382 61.778 62.100 0.101 0.000 1.176 659 T CB 1.096 69.983 68.868 0.032 0.000 0.951 659 T HN 0.197 nan 8.240 nan 0.000 0.526 660 P HA 0.237 nan 4.420 nan 0.000 0.253 660 P C -0.122 177.283 177.300 0.174 0.000 1.459 660 P CA -0.182 63.027 63.100 0.183 0.000 0.908 660 P CB -0.523 31.259 31.700 0.138 0.000 1.470 661 C N -2.599 116.743 119.300 0.070 0.000 3.318 661 C HA 0.749 5.209 4.460 0.001 0.000 0.322 661 C C -1.699 173.004 174.990 -0.478 0.000 1.398 661 C CA -1.290 57.632 59.018 -0.160 0.000 1.339 661 C CB 1.203 28.852 27.740 -0.152 0.000 1.668 661 C HN 0.207 nan 8.230 nan 0.000 0.462 662 Y N 0.564 120.378 120.300 -0.809 0.000 2.331 662 Y HA 0.580 5.131 4.550 0.001 0.000 0.326 662 Y C -0.398 175.277 175.900 -0.375 0.000 1.020 662 Y CA -0.858 56.812 58.100 -0.716 0.000 1.136 662 Y CB 1.102 38.888 38.460 -1.122 0.000 1.157 662 Y HN 1.200 nan 8.280 nan 0.000 0.444 663 C N 7.213 126.022 119.300 -0.819 0.000 2.289 663 C HA 0.330 4.790 4.460 0.001 0.000 0.340 663 C C 0.003 174.423 174.990 -0.951 0.000 1.152 663 C CA -0.365 58.236 59.018 -0.695 0.000 1.650 663 C CB -1.444 26.038 27.740 -0.430 0.000 2.203 663 C HN 0.831 nan 8.230 nan 0.000 0.511 664 Q N 4.485 123.884 119.800 -0.669 0.000 2.369 664 Q HA 0.399 4.740 4.340 0.001 0.000 0.247 664 Q C -0.729 175.087 176.000 -0.307 0.000 1.083 664 Q CA -0.007 55.586 55.803 -0.351 0.000 0.905 664 Q CB 0.532 29.321 28.738 0.085 0.000 1.305 664 Q HN 0.769 nan 8.270 nan 0.000 0.465 665 L N 4.623 125.655 121.223 -0.319 0.000 2.261 665 L HA 0.405 4.745 4.340 0.001 0.000 0.289 665 L C -0.530 176.223 176.870 -0.195 0.000 1.059 665 L CA 0.322 54.938 54.840 -0.373 0.000 0.816 665 L CB 0.499 42.296 42.059 -0.438 0.000 1.191 665 L HN 0.583 nan 8.230 nan 0.000 0.431 666 E N 3.067 123.160 120.200 -0.178 0.000 2.284 666 E HA 0.430 4.781 4.350 0.001 0.000 0.255 666 E C 0.795 177.380 176.600 -0.025 0.000 1.052 666 E CA 0.041 56.388 56.400 -0.087 0.000 0.904 666 E CB 1.093 30.718 29.700 -0.125 0.000 1.217 666 E HN 0.616 nan 8.360 nan 0.000 0.438 667 A N 0.635 123.432 122.820 -0.038 0.000 1.908 667 A HA -0.194 4.127 4.320 0.001 0.000 0.218 667 A C 1.418 178.916 177.584 -0.142 0.000 1.181 667 A CA 1.879 53.902 52.037 -0.023 0.000 0.627 667 A CB -0.059 18.928 19.000 -0.021 0.000 0.818 667 A HN 0.428 nan 8.150 nan 0.000 0.445 668 K N -1.426 118.770 120.400 -0.340 0.000 2.477 668 K HA 0.170 4.491 4.320 0.001 0.000 0.208 668 K C -0.328 175.751 176.600 -0.868 0.000 1.117 668 K CA 0.604 56.527 56.287 -0.606 0.000 1.039 668 K CB 0.838 33.157 32.500 -0.301 0.000 0.937 668 K HN 0.546 nan 8.250 nan 0.000 0.570 669 S N -0.998 114.278 115.700 -0.707 0.000 2.625 669 S HA 0.505 4.975 4.470 0.001 0.000 0.271 669 S C -1.045 173.303 174.600 -0.421 0.000 1.161 669 S CA -0.923 56.966 58.200 -0.519 0.000 0.820 669 S CB 1.721 64.651 63.200 -0.450 0.000 1.137 669 S HN 0.066 nan 8.310 nan 0.000 0.470 670 C N 2.280 121.277 119.300 -0.505 0.000 2.408 670 C HA 0.677 5.138 4.460 0.001 0.000 0.321 670 C C -0.785 173.845 174.990 -0.600 0.000 1.245 670 C CA -0.560 58.083 59.018 -0.625 0.000 1.523 670 C CB 0.316 27.569 27.740 -0.811 0.000 2.178 670 C HN 0.881 nan 8.230 nan 0.000 0.488 671 H N 3.425 122.350 119.070 -0.242 0.000 2.623 671 H HA 0.417 4.973 4.556 0.001 0.000 0.299 671 H C -0.502 174.708 175.328 -0.196 0.000 1.052 671 H CA -0.116 55.832 56.048 -0.168 0.000 1.231 671 H CB 0.756 30.466 29.762 -0.087 0.000 1.389 671 H HN 0.552 nan 8.280 nan 0.000 0.469 672 I N 4.714 125.215 120.570 -0.114 0.000 2.307 672 I HA 0.127 4.298 4.170 0.001 0.000 0.289 672 I C 0.255 176.294 176.117 -0.131 0.000 1.021 672 I CA -0.434 60.746 61.300 -0.200 0.000 1.224 672 I CB 1.141 38.975 38.000 -0.276 0.000 1.376 672 I HN 0.254 nan 8.210 nan 0.000 0.470 673 L N 7.415 128.580 121.223 -0.097 0.000 2.360 673 L HA 0.345 4.686 4.340 0.001 0.000 0.276 673 L C -0.405 176.420 176.870 -0.074 0.000 1.121 673 L CA 0.042 54.874 54.840 -0.012 0.000 0.845 673 L CB 0.428 42.543 42.059 0.093 0.000 1.143 673 L HN 0.460 nan 8.230 nan 0.000 0.452 674 L N 3.480 124.690 121.223 -0.022 0.000 2.362 674 L HA 0.328 4.668 4.340 0.001 0.000 0.275 674 L C 0.265 177.180 176.870 0.075 0.000 0.998 674 L CA -0.672 54.145 54.840 -0.038 0.000 0.820 674 L CB 2.024 44.001 42.059 -0.137 0.000 1.270 674 L HN 0.521 nan 8.230 nan 0.000 0.415 675 D N 0.989 121.460 120.400 0.118 0.000 2.277 675 D HA -0.053 4.587 4.640 0.001 0.000 0.208 675 D C 0.467 176.828 176.300 0.102 0.000 0.962 675 D CA 0.912 54.986 54.000 0.123 0.000 0.865 675 D CB 0.435 41.315 40.800 0.134 0.000 0.939 675 D HN 0.614 nan 8.370 nan 0.000 0.510 676 Q N -0.502 119.367 119.800 0.115 0.000 2.462 676 Q HA 0.431 4.771 4.340 0.001 0.000 0.285 676 Q C -0.912 175.191 176.000 0.170 0.000 1.035 676 Q CA -0.834 55.043 55.803 0.124 0.000 0.799 676 Q CB 1.536 30.343 28.738 0.115 0.000 1.452 676 Q HN -0.079 nan 8.270 nan 0.000 0.404 677 L N 0.478 121.778 121.223 0.129 0.000 2.476 677 L HA 0.797 5.137 4.340 0.001 0.000 0.255 677 L C 0.713 177.681 176.870 0.163 0.000 1.218 677 L CA 0.497 55.421 54.840 0.139 0.000 0.819 677 L CB 0.449 42.526 42.059 0.031 0.000 1.119 677 L HN 1.067 nan 8.230 nan 0.000 0.485 678 G N -0.356 108.518 108.800 0.123 0.000 2.352 678 G HA2 0.094 4.055 3.960 0.001 0.000 0.283 678 G HA3 0.094 4.055 3.960 0.001 0.000 0.283 678 G C -1.355 173.425 174.900 -0.200 0.000 1.308 678 G CA -0.760 44.272 45.100 -0.113 0.000 0.892 678 G HN 0.408 nan 8.290 nan 0.000 0.504 679 T N 0.885 115.202 114.554 -0.395 0.000 2.767 679 T HA 0.689 5.040 4.350 0.001 0.000 0.284 679 T C -1.273 173.206 174.700 -0.368 0.000 0.973 679 T CA 0.278 62.234 62.100 -0.240 0.000 0.996 679 T CB 0.633 69.385 68.868 -0.193 0.000 0.927 679 T HN 0.407 nan 8.240 nan 0.000 0.456 680 Y N 0.878 121.300 120.300 0.204 0.000 2.553 680 Y HA 0.707 5.257 4.550 0.001 0.000 0.347 680 Y C -0.324 175.715 175.900 0.231 0.000 1.019 680 Y CA -1.063 57.185 58.100 0.246 0.000 1.032 680 Y CB 1.993 40.526 38.460 0.122 0.000 1.284 680 Y HN 0.424 nan 8.280 nan 0.000 0.466 681 V N 2.961 123.063 119.914 0.313 0.000 2.932 681 V HA 0.514 4.635 4.120 0.001 0.000 0.307 681 V C -1.920 174.219 176.094 0.074 0.000 1.147 681 V CA -0.929 61.413 62.300 0.071 0.000 0.951 681 V CB 2.041 33.698 31.823 -0.277 0.000 1.031 681 V HN 0.597 nan 8.190 nan 0.000 0.426 682 F N 5.454 125.340 119.950 -0.108 0.000 2.410 682 F HA 0.770 5.297 4.527 0.001 0.000 0.349 682 F C 0.441 176.142 175.800 -0.164 0.000 1.117 682 F CA 0.207 58.126 58.000 -0.135 0.000 1.104 682 F CB 1.529 40.428 39.000 -0.167 0.000 1.122 682 F HN 0.704 nan 8.300 nan 0.000 0.483 683 T N 2.086 116.247 114.554 -0.654 0.000 2.930 683 T HA 0.917 5.268 4.350 0.001 0.000 0.290 683 T C -0.424 173.931 174.700 -0.574 0.000 1.052 683 T CA -0.733 61.061 62.100 -0.510 0.000 1.017 683 T CB 1.687 70.349 68.868 -0.343 0.000 1.137 683 T HN 0.913 nan 8.240 nan 0.000 0.511 684 G N 0.653 109.256 108.800 -0.328 0.000 2.706 684 G HA2 0.656 4.617 3.960 0.001 0.000 0.297 684 G HA3 0.656 4.617 3.960 0.001 0.000 0.297 684 G C -1.561 173.411 174.900 0.120 0.000 1.403 684 G CA -1.081 43.934 45.100 -0.141 0.000 0.954 684 G HN 1.022 nan 8.290 nan 0.000 0.500 685 E N -0.509 119.791 120.200 0.167 0.000 2.340 685 E HA 0.773 5.124 4.350 0.001 0.000 0.273 685 E C -1.301 175.346 176.600 0.078 0.000 0.891 685 E CA -1.120 55.362 56.400 0.137 0.000 0.757 685 E CB 2.469 32.195 29.700 0.042 0.000 1.231 685 E HN 0.423 nan 8.360 nan 0.000 0.439 686 S N 1.160 116.869 115.700 0.015 0.000 2.543 686 S HA 0.315 4.786 4.470 0.001 0.000 0.274 686 S C -1.514 172.976 174.600 -0.184 0.000 1.149 686 S CA -0.499 57.630 58.200 -0.117 0.000 0.866 686 S CB 0.804 63.772 63.200 -0.388 0.000 1.111 686 S HN 0.623 nan 8.310 nan 0.000 0.457 687 Y N 1.641 121.903 120.300 -0.063 0.000 2.444 687 Y HA 0.359 4.910 4.550 0.001 0.000 0.249 687 Y C 1.500 177.308 175.900 -0.154 0.000 1.134 687 Y CA 0.141 58.208 58.100 -0.055 0.000 1.261 687 Y CB 0.671 39.132 38.460 0.003 0.000 1.143 687 Y HN 0.581 nan 8.280 nan 0.000 0.523 688 S N 0.927 116.577 115.700 -0.083 0.000 2.525 688 S HA 0.014 4.485 4.470 0.001 0.000 0.285 688 S C 1.297 175.745 174.600 -0.253 0.000 1.283 688 S CA -0.418 57.694 58.200 -0.146 0.000 1.072 688 S CB 0.564 63.664 63.200 -0.167 0.000 0.867 688 S HN 0.467 nan 8.310 nan 0.000 0.492 689 R N 3.159 123.532 120.500 -0.211 0.000 2.241 689 R HA -0.034 4.306 4.340 0.001 0.000 0.224 689 R C 1.872 178.027 176.300 -0.242 0.000 1.101 689 R CA 1.291 57.231 56.100 -0.267 0.000 0.995 689 R CB -0.214 29.979 30.300 -0.179 0.000 0.870 689 R HN 0.502 nan 8.270 nan 0.000 0.463 690 S N 0.113 115.699 115.700 -0.189 0.000 2.503 690 S HA 0.192 4.662 4.470 0.001 0.000 0.217 690 S C 0.572 175.100 174.600 -0.120 0.000 0.999 690 S CA -0.114 58.011 58.200 -0.125 0.000 0.914 690 S CB 0.508 63.663 63.200 -0.075 0.000 0.782 690 S HN 0.381 nan 8.310 nan 0.000 0.520 691 A N 1.821 124.493 122.820 -0.246 0.000 2.488 691 A HA 0.485 4.805 4.320 0.001 0.000 0.249 691 A C -0.177 177.427 177.584 0.033 0.000 1.083 691 A CA 0.091 51.931 52.037 -0.329 0.000 0.768 691 A CB 0.206 18.660 19.000 -0.910 0.000 1.017 691 A HN 0.186 nan 8.150 nan 0.000 0.496 692 V N 3.705 123.837 119.914 0.363 0.000 2.604 692 V HA 0.491 4.612 4.120 0.001 0.000 0.305 692 V C 0.014 176.547 176.094 0.731 0.000 1.043 692 V CA -0.681 61.913 62.300 0.490 0.000 0.888 692 V CB 1.937 33.949 31.823 0.314 0.000 0.995 692 V HN 1.091 nan 8.190 nan 0.000 0.429 693 K N 3.716 124.508 120.400 0.654 0.000 2.238 693 K HA 0.806 5.127 4.320 0.001 0.000 0.239 693 K C -0.639 176.152 176.600 0.319 0.000 0.987 693 K CA -0.990 55.553 56.287 0.427 0.000 0.857 693 K CB 2.026 34.677 32.500 0.252 0.000 1.154 693 K HN 0.429 nan 8.250 nan 0.000 0.439 694 R N 1.407 122.026 120.500 0.199 0.000 2.346 694 R HA 0.437 4.778 4.340 0.001 0.000 0.311 694 R C -0.688 175.678 176.300 0.109 0.000 0.983 694 R CA -0.615 55.575 56.100 0.150 0.000 0.880 694 R CB 0.811 31.169 30.300 0.096 0.000 1.100 694 R HN 0.505 nan 8.270 nan 0.000 0.453 695 L N 2.405 123.699 121.223 0.117 0.000 2.319 695 L HA 0.477 4.817 4.340 0.001 0.000 0.267 695 L C -0.220 176.702 176.870 0.087 0.000 1.011 695 L CA -1.061 53.830 54.840 0.084 0.000 0.818 695 L CB 1.931 44.039 42.059 0.083 0.000 1.316 695 L HN 0.561 nan 8.230 nan 0.000 0.432 696 Q N 1.642 121.492 119.800 0.083 0.000 2.353 696 Q HA 0.699 5.040 4.340 0.001 0.000 0.268 696 Q C -1.678 174.410 176.000 0.146 0.000 1.045 696 Q CA -0.839 55.025 55.803 0.102 0.000 0.811 696 Q CB 2.369 31.152 28.738 0.074 0.000 1.305 696 Q HN 0.517 nan 8.270 nan 0.000 0.447 697 L N 1.849 123.195 121.223 0.205 0.000 2.287 697 L HA 0.850 5.191 4.340 0.001 0.000 0.287 697 L C -0.610 176.424 176.870 0.272 0.000 1.022 697 L CA -0.869 54.137 54.840 0.277 0.000 0.814 697 L CB 1.592 43.903 42.059 0.420 0.000 1.217 697 L HN 0.825 nan 8.230 nan 0.000 0.420 698 A N 5.264 128.199 122.820 0.191 0.000 2.343 698 A HA 0.829 5.149 4.320 0.001 0.000 0.308 698 A C -0.732 176.896 177.584 0.075 0.000 1.092 698 A CA -0.409 51.688 52.037 0.100 0.000 0.751 698 A CB 0.975 20.084 19.000 0.181 0.000 1.203 698 A HN 0.675 nan 8.150 nan 0.000 0.452 699 I N 2.046 122.471 120.570 -0.242 0.000 2.404 699 I HA 0.498 4.669 4.170 0.001 0.000 0.293 699 I C -1.059 174.842 176.117 -0.359 0.000 0.992 699 I CA -0.288 60.875 61.300 -0.228 0.000 1.149 699 I CB 1.503 39.221 38.000 -0.470 0.000 1.315 699 I HN 0.589 nan 8.210 nan 0.000 0.446 700 F N 3.964 123.851 119.950 -0.105 0.000 2.546 700 F HA 0.807 5.335 4.527 0.001 0.000 0.320 700 F C 0.280 175.930 175.800 -0.249 0.000 1.076 700 F CA -0.623 57.272 58.000 -0.175 0.000 0.928 700 F CB 2.028 41.008 39.000 -0.033 0.000 1.189 700 F HN 0.424 nan 8.300 nan 0.000 0.465 701 A N 2.412 125.114 122.820 -0.196 0.000 2.469 701 A HA 0.840 5.161 4.320 0.001 0.000 0.299 701 A C -2.939 174.686 177.584 0.067 0.000 1.098 701 A CA -1.971 49.954 52.037 -0.186 0.000 0.737 701 A CB 1.660 20.537 19.000 -0.204 0.000 1.312 701 A HN 0.360 nan 8.150 nan 0.000 0.414 702 P HA 0.249 nan 4.420 nan 0.000 0.271 702 P C 0.600 178.146 177.300 0.411 0.000 1.216 702 P CA 0.421 63.664 63.100 0.238 0.000 0.771 702 P CB 1.426 33.226 31.700 0.167 0.000 0.864 703 A N 3.844 126.871 122.820 0.345 0.000 1.929 703 A HA -0.036 4.284 4.320 0.001 0.000 0.216 703 A C 0.991 178.643 177.584 0.113 0.000 1.176 703 A CA 1.095 53.239 52.037 0.179 0.000 0.628 703 A CB -0.633 18.405 19.000 0.065 0.000 0.816 703 A HN 0.544 nan 8.150 nan 0.000 0.444 704 L N 0.228 121.527 121.223 0.126 0.000 2.305 704 L HA 0.548 4.889 4.340 0.001 0.000 0.284 704 L C -1.197 175.752 176.870 0.132 0.000 1.013 704 L CA -0.609 54.291 54.840 0.099 0.000 0.819 704 L CB 1.333 43.431 42.059 0.066 0.000 1.227 704 L HN 0.214 nan 8.230 nan 0.000 0.417 705 C N 3.087 122.465 119.300 0.130 0.000 2.344 705 C HA 0.573 5.034 4.460 0.001 0.000 0.326 705 C C 1.293 176.337 174.990 0.090 0.000 1.201 705 C CA -0.021 59.086 59.018 0.147 0.000 1.410 705 C CB 0.498 28.361 27.740 0.206 0.000 2.070 705 C HN 0.921 nan 8.230 nan 0.000 0.445 706 T N -1.616 112.983 114.554 0.076 0.000 2.969 706 T HA 0.108 4.458 4.350 0.001 0.000 0.250 706 T C 0.769 175.494 174.700 0.041 0.000 1.021 706 T CA 0.221 62.350 62.100 0.048 0.000 1.003 706 T CB 0.099 68.990 68.868 0.038 0.000 1.040 706 T HN 0.488 nan 8.240 nan 0.000 0.492 707 S N 0.923 116.657 115.700 0.057 0.000 2.655 707 S HA 0.521 4.992 4.470 0.001 0.000 0.265 707 S C 1.249 175.873 174.600 0.040 0.000 1.240 707 S CA -0.688 57.540 58.200 0.048 0.000 0.986 707 S CB 0.702 63.937 63.200 0.060 0.000 0.985 707 S HN 0.308 nan 8.310 nan 0.000 0.562 708 L N 0.277 121.510 121.223 0.017 0.000 2.376 708 L HA 0.115 4.455 4.340 0.001 0.000 0.219 708 L C 1.152 178.051 176.870 0.049 0.000 1.133 708 L CA 0.709 55.537 54.840 -0.019 0.000 0.816 708 L CB -0.283 41.752 42.059 -0.041 0.000 0.933 708 L HN 0.627 nan 8.230 nan 0.000 0.449 709 E N 0.027 120.284 120.200 0.095 0.000 2.316 709 E HA 0.071 4.421 4.350 0.001 0.000 0.275 709 E C -1.225 175.530 176.600 0.260 0.000 1.029 709 E CA -0.243 56.246 56.400 0.149 0.000 0.871 709 E CB 0.574 30.329 29.700 0.093 0.000 1.022 709 E HN 0.021 nan 8.360 nan 0.000 0.418 710 Y N 2.078 122.441 120.300 0.105 0.000 2.524 710 Y HA 0.458 5.008 4.550 0.001 0.000 0.347 710 Y C -1.368 174.511 175.900 -0.034 0.000 1.005 710 Y CA -0.891 57.242 58.100 0.056 0.000 1.025 710 Y CB 2.074 40.592 38.460 0.097 0.000 1.275 710 Y HN 0.513 nan 8.280 nan 0.000 0.460 711 S N 4.957 120.358 115.700 -0.499 0.000 2.541 711 S HA 0.717 5.187 4.470 0.001 0.000 0.280 711 S C -1.554 172.727 174.600 -0.530 0.000 1.112 711 S CA -0.806 57.160 58.200 -0.389 0.000 0.925 711 S CB 1.561 64.655 63.200 -0.176 0.000 1.067 711 S HN 0.561 nan 8.310 nan 0.000 0.479 712 L N 2.352 123.387 121.223 -0.313 0.000 2.341 712 L HA 0.592 4.933 4.340 0.001 0.000 0.278 712 L C -0.093 176.743 176.870 -0.056 0.000 1.005 712 L CA -0.659 54.057 54.840 -0.208 0.000 0.818 712 L CB 1.560 43.523 42.059 -0.160 0.000 1.259 712 L HN 0.424 nan 8.230 nan 0.000 0.418 713 R N 2.454 122.927 120.500 -0.045 0.000 2.265 713 R HA 0.495 4.836 4.340 0.001 0.000 0.328 713 R C -1.118 175.167 176.300 -0.025 0.000 0.969 713 R CA -0.582 55.468 56.100 -0.084 0.000 0.832 713 R CB 1.918 32.115 30.300 -0.172 0.000 1.139 713 R HN 0.318 nan 8.270 nan 0.000 0.457 714 V N 5.267 125.155 119.914 -0.043 0.000 2.294 714 V HA 0.228 4.349 4.120 0.001 0.000 0.272 714 V C -0.580 175.515 176.094 0.002 0.000 1.027 714 V CA -0.791 61.522 62.300 0.022 0.000 0.823 714 V CB 0.090 31.971 31.823 0.096 0.000 1.030 714 V HN 0.600 nan 8.190 nan 0.000 0.457 715 Y N 2.437 122.809 120.300 0.121 0.000 2.304 715 Y HA 0.373 4.924 4.550 0.001 0.000 0.328 715 Y C 0.684 176.645 175.900 0.101 0.000 1.123 715 Y CA -0.306 57.871 58.100 0.128 0.000 1.218 715 Y CB 1.160 39.692 38.460 0.119 0.000 1.207 715 Y HN 0.531 nan 8.280 nan 0.000 0.495 716 C N 5.946 125.377 119.300 0.218 0.000 2.362 716 C HA 0.545 5.005 4.460 0.001 0.000 0.309 716 C C -0.261 174.787 174.990 0.096 0.000 1.110 716 C CA -1.224 57.871 59.018 0.129 0.000 1.485 716 C CB -1.634 26.141 27.740 0.058 0.000 1.949 716 C HN 0.633 nan 8.230 nan 0.000 0.419 717 L N 2.381 123.666 121.223 0.103 0.000 2.322 717 L HA 0.542 4.882 4.340 0.001 0.000 0.269 717 L C 0.300 177.188 176.870 0.029 0.000 1.012 717 L CA -0.615 54.266 54.840 0.067 0.000 0.815 717 L CB 0.883 42.986 42.059 0.073 0.000 1.295 717 L HN 0.463 nan 8.230 nan 0.000 0.438 718 E N 0.692 120.894 120.200 0.003 0.000 2.415 718 E HA -0.056 4.295 4.350 0.001 0.000 0.262 718 E C -0.761 175.840 176.600 0.002 0.000 1.038 718 E CA -0.020 56.375 56.400 -0.009 0.000 0.921 718 E CB 0.616 30.299 29.700 -0.029 0.000 0.950 718 E HN 0.393 nan 8.360 nan 0.000 0.438 719 D N 1.862 122.264 120.400 0.003 0.000 2.619 719 D HA 0.060 4.701 4.640 0.001 0.000 0.224 719 D C -0.857 175.420 176.300 -0.038 0.000 1.133 719 D CA -0.214 53.784 54.000 -0.003 0.000 1.017 719 D CB -0.270 40.536 40.800 0.010 0.000 1.077 719 D HN 0.365 nan 8.370 nan 0.000 0.503 720 T N -0.373 114.160 114.554 -0.036 0.000 2.903 720 T HA 0.480 4.831 4.350 0.001 0.000 0.299 720 T C -2.126 172.551 174.700 -0.038 0.000 1.093 720 T CA -1.851 60.216 62.100 -0.055 0.000 1.002 720 T CB 2.067 70.903 68.868 -0.054 0.000 1.127 720 T HN -0.232 nan 8.240 nan 0.000 0.488 721 P HA -0.014 nan 4.420 nan 0.000 0.215 721 P C 1.784 179.070 177.300 -0.024 0.000 1.153 721 P CA 1.592 64.674 63.100 -0.029 0.000 0.853 721 P CB -0.256 31.424 31.700 -0.033 0.000 0.788 722 A N 0.253 123.057 122.820 -0.027 0.000 1.917 722 A HA -0.232 4.089 4.320 0.001 0.000 0.219 722 A C 2.352 179.921 177.584 -0.024 0.000 1.182 722 A CA 2.512 54.536 52.037 -0.021 0.000 0.633 722 A CB -1.672 17.318 19.000 -0.018 0.000 0.819 722 A HN 0.224 nan 8.150 nan 0.000 0.448 723 A N -0.972 121.833 122.820 -0.025 0.000 1.930 723 A HA 0.030 4.350 4.320 0.001 0.000 0.217 723 A C 2.140 179.703 177.584 -0.035 0.000 1.175 723 A CA 1.699 53.720 52.037 -0.026 0.000 0.627 723 A CB -0.527 18.463 19.000 -0.017 0.000 0.815 723 A HN 0.662 nan 8.150 nan 0.000 0.443 724 L N -0.004 121.206 121.223 -0.023 0.000 2.027 724 L HA -0.076 4.264 4.340 0.001 0.000 0.206 724 L C 2.308 179.161 176.870 -0.028 0.000 1.074 724 L CA 2.598 57.428 54.840 -0.016 0.000 0.745 724 L CB -0.625 41.438 42.059 0.007 0.000 0.898 724 L HN 0.454 nan 8.230 nan 0.000 0.433 725 K N -0.354 120.032 120.400 -0.023 0.000 2.059 725 K HA -0.319 4.001 4.320 0.001 0.000 0.212 725 K C 2.142 178.712 176.600 -0.049 0.000 1.050 725 K CA 2.218 58.490 56.287 -0.024 0.000 0.927 725 K CB -0.286 32.204 32.500 -0.017 0.000 0.714 725 K HN 0.560 nan 8.250 nan 0.000 0.447 726 E N -0.122 120.043 120.200 -0.060 0.000 2.058 726 E HA -0.180 4.171 4.350 0.001 0.000 0.194 726 E C 1.824 178.337 176.600 -0.145 0.000 0.997 726 E CA 1.566 57.919 56.400 -0.080 0.000 0.801 726 E CB 0.081 29.744 29.700 -0.063 0.000 0.746 726 E HN 0.193 nan 8.360 nan 0.000 0.450 727 V N 1.020 120.810 119.914 -0.207 0.000 2.453 727 V HA -0.215 3.905 4.120 0.001 0.000 0.247 727 V C 2.403 178.233 176.094 -0.439 0.000 1.048 727 V CA 1.307 63.354 62.300 -0.422 0.000 1.049 727 V CB -0.371 31.094 31.823 -0.597 0.000 0.672 727 V HN 0.333 nan 8.190 nan 0.000 0.457 728 L N -0.194 120.909 121.223 -0.200 0.000 2.042 728 L HA -0.232 4.109 4.340 0.001 0.000 0.210 728 L C 2.556 179.359 176.870 -0.113 0.000 1.076 728 L CA 1.813 56.604 54.840 -0.081 0.000 0.749 728 L CB -0.629 41.457 42.059 0.045 0.000 0.893 728 L HN 0.408 nan 8.230 nan 0.000 0.432 729 E N -0.122 120.013 120.200 -0.108 0.000 2.072 729 E HA -0.248 4.103 4.350 0.001 0.000 0.191 729 E C 2.102 178.631 176.600 -0.119 0.000 0.985 729 E CA 1.084 57.432 56.400 -0.086 0.000 0.801 729 E CB -0.202 29.460 29.700 -0.063 0.000 0.750 729 E HN 0.289 nan 8.360 nan 0.000 0.452 730 L N 1.585 122.700 121.223 -0.179 0.000 2.017 730 L HA -0.167 4.174 4.340 0.001 0.000 0.208 730 L C 1.979 178.720 176.870 -0.215 0.000 1.073 730 L CA 1.847 56.575 54.840 -0.187 0.000 0.745 730 L CB -0.184 41.743 42.059 -0.220 0.000 0.894 730 L HN -0.048 nan 8.230 nan 0.000 0.432 731 E N -0.266 119.729 120.200 -0.342 0.000 2.208 731 E HA -0.209 4.141 4.350 0.001 0.000 0.193 731 E C 2.315 178.843 176.600 -0.119 0.000 0.988 731 E CA 0.689 56.889 56.400 -0.335 0.000 0.828 731 E CB -0.164 29.087 29.700 -0.748 0.000 0.763 731 E HN 0.523 nan 8.360 nan 0.000 0.478 732 R N 0.639 121.092 120.500 -0.078 0.000 2.091 732 R HA -0.138 4.202 4.340 0.001 0.000 0.238 732 R C 2.500 178.790 176.300 -0.016 0.000 1.136 732 R CA 2.118 58.210 56.100 -0.013 0.000 0.959 732 R CB -0.258 30.036 30.300 -0.009 0.000 0.856 732 R HN 0.244 nan 8.270 nan 0.000 0.437 733 T N -1.323 113.207 114.554 -0.040 0.000 2.821 733 T HA -0.071 4.280 4.350 0.001 0.000 0.267 733 T C 1.846 176.531 174.700 -0.025 0.000 1.046 733 T CA 1.024 63.106 62.100 -0.030 0.000 1.139 733 T CB -0.249 68.596 68.868 -0.038 0.000 0.871 733 T HN 0.222 nan 8.240 nan 0.000 0.454 734 L N 0.846 122.043 121.223 -0.043 0.000 2.552 734 L HA 0.299 4.639 4.340 0.001 0.000 0.227 734 L C 2.036 178.908 176.870 0.004 0.000 1.146 734 L CA 0.517 55.339 54.840 -0.031 0.000 0.858 734 L CB -0.838 41.183 42.059 -0.063 0.000 0.969 734 L HN 0.652 nan 8.230 nan 0.000 0.451 735 G N 0.276 109.089 108.800 0.022 0.000 2.160 735 G HA2 -0.211 3.750 3.960 0.001 0.000 0.244 735 G HA3 -0.211 3.750 3.960 0.001 0.000 0.244 735 G C 0.443 175.419 174.900 0.126 0.000 1.022 735 G CA -0.036 45.103 45.100 0.065 0.000 0.741 735 G HN 0.523 nan 8.290 nan 0.000 0.508 736 G N -0.719 108.157 108.800 0.127 0.000 2.477 736 G HA2 0.813 4.773 3.960 0.001 0.000 0.304 736 G HA3 0.813 4.773 3.960 0.001 0.000 0.304 736 G C -0.441 174.703 174.900 0.407 0.000 1.175 736 G CA -0.321 44.922 45.100 0.239 0.000 0.907 736 G HN 1.451 nan 8.290 nan 0.000 0.509 737 Y N -0.720 119.756 120.300 0.293 0.000 2.524 737 Y HA 0.652 5.202 4.550 0.001 0.000 0.347 737 Y C -0.911 175.012 175.900 0.038 0.000 1.005 737 Y CA -2.092 56.141 58.100 0.221 0.000 1.025 737 Y CB 1.570 40.092 38.460 0.102 0.000 1.275 737 Y HN 0.491 nan 8.280 nan 0.000 0.460 738 L N 4.866 125.932 121.223 -0.262 0.000 2.433 738 L HA 0.228 4.569 4.340 0.001 0.000 0.275 738 L C 0.947 177.532 176.870 -0.476 0.000 1.128 738 L CA 0.195 54.562 54.840 -0.787 0.000 0.875 738 L CB 0.707 42.452 42.059 -0.524 0.000 1.171 738 L HN 0.876 nan 8.230 nan 0.000 0.463 739 V N 1.178 120.742 119.914 -0.584 0.000 2.591 739 V HA 0.218 4.338 4.120 0.001 0.000 0.249 739 V C 0.762 176.785 176.094 -0.118 0.000 1.053 739 V CA 0.660 62.753 62.300 -0.345 0.000 1.068 739 V CB -0.562 31.060 31.823 -0.334 0.000 0.689 739 V HN 0.833 nan 8.190 nan 0.000 0.462 740 E N -0.618 119.503 120.200 -0.132 0.000 2.408 740 E HA 0.409 4.760 4.350 0.001 0.000 0.275 740 E C -1.043 175.556 176.600 -0.002 0.000 0.935 740 E CA -0.817 55.586 56.400 0.006 0.000 0.775 740 E CB 2.215 32.010 29.700 0.159 0.000 1.277 740 E HN 0.441 nan 8.360 nan 0.000 0.455 741 E N 1.885 122.108 120.200 0.039 0.000 2.442 741 E HA 0.054 4.404 4.350 0.001 0.000 0.262 741 E C -2.228 174.428 176.600 0.093 0.000 1.004 741 E CA -1.233 55.187 56.400 0.033 0.000 0.928 741 E CB 0.134 29.850 29.700 0.027 0.000 0.937 741 E HN 0.115 nan 8.360 nan 0.000 0.446 742 P HA -0.002 nan 4.420 nan 0.000 0.269 742 P C -0.947 176.429 177.300 0.127 0.000 1.217 742 P CA 0.374 63.555 63.100 0.135 0.000 0.783 742 P CB 0.560 32.310 31.700 0.084 0.000 0.898 743 K N 2.186 122.686 120.400 0.167 0.000 2.371 743 K HA 0.472 4.793 4.320 0.001 0.000 0.251 743 K C -2.511 174.125 176.600 0.060 0.000 0.934 743 K CA -2.138 54.167 56.287 0.030 0.000 0.798 743 K CB 1.741 34.122 32.500 -0.199 0.000 1.204 743 K HN 0.346 nan 8.250 nan 0.000 0.427 744 P HA 0.214 nan 4.420 nan 0.000 0.277 744 P C -1.244 176.096 177.300 0.066 0.000 1.240 744 P CA -0.549 62.582 63.100 0.051 0.000 0.798 744 P CB 0.914 32.634 31.700 0.033 0.000 0.979 745 L N 2.633 123.917 121.223 0.103 0.000 2.464 745 L HA 0.388 4.729 4.340 0.001 0.000 0.266 745 L C -1.014 175.961 176.870 0.174 0.000 0.965 745 L CA -0.711 54.209 54.840 0.132 0.000 0.833 745 L CB 1.653 43.810 42.059 0.163 0.000 1.296 745 L HN 0.212 nan 8.230 nan 0.000 0.405 746 L N 4.432 125.759 121.223 0.173 0.000 2.326 746 L HA 0.385 4.726 4.340 0.001 0.000 0.278 746 L C -1.014 176.034 176.870 0.297 0.000 1.092 746 L CA -0.124 54.843 54.840 0.213 0.000 0.810 746 L CB 0.980 43.130 42.059 0.153 0.000 1.153 746 L HN 0.556 nan 8.230 nan 0.000 0.439 747 F N 4.022 124.085 119.950 0.188 0.000 2.507 747 F HA 0.403 4.931 4.527 0.001 0.000 0.328 747 F C -0.022 175.955 175.800 0.295 0.000 1.136 747 F CA -0.730 57.405 58.000 0.226 0.000 0.930 747 F CB 1.305 40.452 39.000 0.245 0.000 1.166 747 F HN 0.318 nan 8.300 nan 0.000 0.436 748 K N 3.200 123.445 120.400 -0.258 0.000 2.098 748 K HA 0.184 4.504 4.320 0.001 0.000 0.258 748 K C -0.466 175.892 176.600 -0.404 0.000 0.973 748 K CA -0.609 55.563 56.287 -0.193 0.000 0.898 748 K CB 1.114 33.489 32.500 -0.208 0.000 1.057 748 K HN 0.587 nan 8.250 nan 0.000 0.447 749 D N 1.654 121.728 120.400 -0.543 0.000 2.885 749 D HA -0.005 4.636 4.640 0.001 0.000 0.234 749 D C 0.347 175.991 176.300 -1.092 0.000 1.129 749 D CA 0.173 53.540 54.000 -1.056 0.000 0.991 749 D CB -0.210 39.879 40.800 -1.185 0.000 1.137 749 D HN 0.482 nan 8.370 nan 0.000 0.459 750 S N 0.045 115.157 115.700 -0.980 0.000 2.523 750 S HA 0.016 4.486 4.470 0.001 0.000 0.217 750 S C 0.565 174.503 174.600 -1.103 0.000 0.996 750 S CA -0.401 57.300 58.200 -0.832 0.000 0.921 750 S CB -0.301 62.694 63.200 -0.342 0.000 0.829 750 S HN 0.314 nan 8.310 nan 0.000 0.495 751 Y N 0.268 119.601 120.300 -1.612 0.000 4.907 751 Y HA -0.222 4.328 4.550 0.001 0.000 0.246 751 Y C 0.417 175.633 175.900 -1.140 0.000 0.968 751 Y CA 0.426 57.321 58.100 -2.008 0.000 1.961 751 Y CB -2.908 34.834 38.460 -1.197 0.000 1.487 751 Y HN 0.501 nan 8.280 nan 0.000 0.575 752 H N 1.664 120.431 119.070 -0.505 0.000 2.525 752 H HA 0.299 4.856 4.556 0.001 0.000 0.339 752 H C 0.591 175.995 175.328 0.127 0.000 1.109 752 H CA -0.458 55.498 56.048 -0.153 0.000 1.352 752 H CB 0.751 30.413 29.762 -0.167 0.000 1.461 752 H HN 0.194 nan 8.280 nan 0.000 0.533 753 N N 1.851 120.727 118.700 0.293 0.000 2.444 753 N HA 0.085 4.826 4.740 0.001 0.000 0.255 753 N C 0.315 176.037 175.510 0.354 0.000 1.255 753 N CA -0.379 52.875 53.050 0.340 0.000 0.933 753 N CB 1.102 39.720 38.487 0.217 0.000 1.143 753 N HN 0.396 nan 8.380 nan 0.000 0.453 754 L N 0.960 122.401 121.223 0.364 0.000 2.349 754 L HA 0.285 4.626 4.340 0.001 0.000 0.275 754 L C 0.848 177.819 176.870 0.169 0.000 1.115 754 L CA -0.135 54.875 54.840 0.282 0.000 0.820 754 L CB 0.642 42.824 42.059 0.204 0.000 1.135 754 L HN 0.340 nan 8.230 nan 0.000 0.445 755 R N 3.330 123.904 120.500 0.123 0.000 2.561 755 R HA 0.657 4.998 4.340 0.001 0.000 0.297 755 R C -1.850 174.523 176.300 0.121 0.000 0.969 755 R CA -0.737 55.400 56.100 0.062 0.000 0.879 755 R CB 1.370 31.596 30.300 -0.123 0.000 1.178 755 R HN 0.392 nan 8.270 nan 0.000 0.445 756 L N 2.902 124.250 121.223 0.208 0.000 2.409 756 L HA 0.529 4.870 4.340 0.001 0.000 0.272 756 L C -0.813 176.288 176.870 0.385 0.000 0.980 756 L CA -0.295 54.718 54.840 0.289 0.000 0.826 756 L CB 2.104 44.392 42.059 0.381 0.000 1.268 756 L HN 0.795 nan 8.230 nan 0.000 0.407 757 S N 2.352 118.122 115.700 0.117 0.000 2.588 757 S HA 0.862 5.332 4.470 0.001 0.000 0.275 757 S C -1.013 173.280 174.600 -0.512 0.000 1.130 757 S CA -0.973 57.167 58.200 -0.099 0.000 0.855 757 S CB 1.460 64.647 63.200 -0.021 0.000 1.116 757 S HN 0.394 nan 8.310 nan 0.000 0.472 758 L N 2.485 123.313 121.223 -0.659 0.000 2.325 758 L HA 0.665 5.006 4.340 0.001 0.000 0.278 758 L C -0.258 176.260 176.870 -0.588 0.000 1.023 758 L CA -0.688 53.813 54.840 -0.564 0.000 0.811 758 L CB 1.295 43.087 42.059 -0.445 0.000 1.249 758 L HN 0.730 nan 8.230 nan 0.000 0.431 759 H N 0.983 120.015 119.070 -0.062 0.000 2.949 759 H HA 0.215 4.771 4.556 0.001 0.000 0.356 759 H C -0.819 174.470 175.328 -0.064 0.000 1.212 759 H CA -0.759 55.278 56.048 -0.020 0.000 1.136 759 H CB 1.891 31.652 29.762 -0.002 0.000 1.869 759 H HN 0.559 nan 8.280 nan 0.000 0.556 760 D N 0.573 121.039 120.400 0.109 0.000 2.751 760 D HA -0.174 4.466 4.640 0.001 0.000 0.233 760 D C -0.021 176.184 176.300 -0.158 0.000 1.149 760 D CA 0.666 54.661 54.000 -0.008 0.000 0.682 760 D CB -1.469 39.317 40.800 -0.024 0.000 1.068 760 D HN 0.380 nan 8.370 nan 0.000 0.429 761 I N 0.628 121.060 120.570 -0.230 0.000 2.588 761 I HA 0.088 4.259 4.170 0.001 0.000 0.283 761 I C -1.649 174.224 176.117 -0.408 0.000 1.119 761 I CA -1.579 59.532 61.300 -0.315 0.000 1.419 761 I CB 0.654 38.541 38.000 -0.187 0.000 1.394 761 I HN -0.252 nan 8.210 nan 0.000 0.562 762 P HA 0.049 nan 4.420 nan 0.000 0.271 762 P C 0.250 177.612 177.300 0.104 0.000 1.380 762 P CA 0.030 63.149 63.100 0.033 0.000 0.992 762 P CB 0.064 31.901 31.700 0.228 0.000 1.230 763 H N 2.661 121.824 119.070 0.154 0.000 2.421 763 H HA -0.117 4.439 4.556 0.001 0.000 0.298 763 H C 1.916 177.304 175.328 0.100 0.000 1.087 763 H CA 1.626 57.754 56.048 0.133 0.000 1.330 763 H CB -0.485 29.331 29.762 0.090 0.000 1.388 763 H HN 0.379 nan 8.280 nan 0.000 0.526 764 A N 0.967 123.846 122.820 0.099 0.000 2.024 764 A HA -0.192 4.128 4.320 0.001 0.000 0.220 764 A C 1.646 179.101 177.584 -0.215 0.000 1.164 764 A CA 1.698 53.642 52.037 -0.155 0.000 0.643 764 A CB -0.271 18.488 19.000 -0.401 0.000 0.806 764 A HN 0.501 nan 8.150 nan 0.000 0.451 765 H N -5.275 113.943 119.070 0.246 0.000 3.400 765 H HA 0.151 4.707 4.556 0.001 0.000 0.251 765 H C -0.513 174.642 175.328 -0.287 0.000 1.040 765 H CA -0.110 56.011 56.048 0.121 0.000 1.175 765 H CB 0.276 30.042 29.762 0.007 0.000 1.487 765 H HN 0.576 nan 8.280 nan 0.000 0.505 766 W N 2.325 123.667 121.300 0.069 0.000 2.844 766 W HA 0.496 5.157 4.660 0.001 0.000 0.340 766 W C -0.057 176.451 176.519 -0.019 0.000 1.093 766 W CA -0.867 56.487 57.345 0.016 0.000 1.212 766 W CB 1.788 31.354 29.460 0.176 0.000 1.422 766 W HN -0.082 nan 8.180 nan 0.000 0.515 767 R N 0.712 121.373 120.500 0.268 0.000 2.740 767 R HA 0.749 5.090 4.340 0.001 0.000 0.273 767 R C -0.914 175.510 176.300 0.207 0.000 0.998 767 R CA -0.923 55.298 56.100 0.202 0.000 0.900 767 R CB 1.836 32.198 30.300 0.103 0.000 1.223 767 R HN 0.286 nan 8.270 nan 0.000 0.466 768 S N 0.541 116.346 115.700 0.175 0.000 2.545 768 S HA 0.193 4.663 4.470 0.001 0.000 0.275 768 S C 0.305 174.972 174.600 0.112 0.000 1.299 768 S CA -0.684 57.604 58.200 0.146 0.000 1.048 768 S CB 0.905 64.192 63.200 0.144 0.000 0.938 768 S HN 0.737 nan 8.310 nan 0.000 0.496 769 K N 2.238 122.694 120.400 0.095 0.000 2.426 769 K HA 0.139 4.460 4.320 0.001 0.000 0.193 769 K C 0.084 176.712 176.600 0.046 0.000 1.028 769 K CA -0.111 56.214 56.287 0.064 0.000 1.047 769 K CB -0.070 32.462 32.500 0.053 0.000 0.821 769 K HN 0.414 nan 8.250 nan 0.000 0.513 770 L N 1.417 122.673 121.223 0.054 0.000 2.350 770 L HA 0.133 4.474 4.340 0.001 0.000 0.275 770 L C 0.956 177.843 176.870 0.030 0.000 1.099 770 L CA 0.023 54.880 54.840 0.029 0.000 0.808 770 L CB 1.035 43.107 42.059 0.021 0.000 1.149 770 L HN -0.024 nan 8.230 nan 0.000 0.442 771 L N 4.301 125.528 121.223 0.006 0.000 2.027 771 L HA 0.147 4.488 4.340 0.001 0.000 0.206 771 L C 1.220 178.078 176.870 -0.020 0.000 1.074 771 L CA 1.168 56.006 54.840 -0.002 0.000 0.745 771 L CB -0.172 41.880 42.059 -0.011 0.000 0.898 771 L HN 0.844 nan 8.230 nan 0.000 0.433 772 A N -0.264 122.529 122.820 -0.045 0.000 2.498 772 A HA 0.013 4.333 4.320 0.001 0.000 0.239 772 A C 0.895 178.431 177.584 -0.080 0.000 1.068 772 A CA -0.017 51.956 52.037 -0.106 0.000 0.766 772 A CB 0.351 19.272 19.000 -0.131 0.000 1.003 772 A HN 0.386 nan 8.150 nan 0.000 0.497 773 K N 0.006 120.307 120.400 -0.164 0.000 2.365 773 K HA 0.125 4.445 4.320 0.001 0.000 0.197 773 K C -0.179 176.460 176.600 0.066 0.000 1.042 773 K CA 1.277 57.536 56.287 -0.046 0.000 0.987 773 K CB -0.084 32.408 32.500 -0.014 0.000 0.779 773 K HN 0.791 nan 8.250 nan 0.000 0.484 774 Y N -2.782 117.589 120.300 0.117 0.000 2.655 774 Y HA 0.523 5.073 4.550 0.001 0.000 0.336 774 Y C -0.994 174.985 175.900 0.133 0.000 1.154 774 Y CA -1.577 56.617 58.100 0.157 0.000 1.055 774 Y CB 1.094 39.634 38.460 0.133 0.000 1.295 774 Y HN -0.329 nan 8.280 nan 0.000 0.465 775 Q N 0.867 120.933 119.800 0.444 0.000 2.351 775 Q HA 0.515 4.856 4.340 0.001 0.000 0.273 775 Q C -1.438 174.727 176.000 0.275 0.000 1.077 775 Q CA -1.168 54.777 55.803 0.237 0.000 0.843 775 Q CB 3.069 31.795 28.738 -0.020 0.000 1.367 775 Q HN 0.690 nan 8.270 nan 0.000 0.449 776 E N 1.228 121.541 120.200 0.189 0.000 2.288 776 E HA 0.493 4.843 4.350 0.001 0.000 0.268 776 E C -1.048 175.620 176.600 0.112 0.000 0.885 776 E CA -0.610 55.887 56.400 0.162 0.000 0.767 776 E CB 2.253 32.062 29.700 0.182 0.000 1.220 776 E HN 0.415 nan 8.360 nan 0.000 0.427 777 I N 3.021 123.662 120.570 0.119 0.000 2.378 777 I HA 0.279 4.449 4.170 0.001 0.000 0.291 777 I C -2.346 173.866 176.117 0.160 0.000 0.992 777 I CA -2.451 58.920 61.300 0.118 0.000 1.154 777 I CB 1.486 39.528 38.000 0.071 0.000 1.315 777 I HN 0.123 nan 8.210 nan 0.000 0.448 778 P HA -0.057 nan 4.420 nan 0.000 0.265 778 P C 0.537 177.928 177.300 0.151 0.000 1.193 778 P CA 0.027 63.195 63.100 0.113 0.000 0.765 778 P CB 0.420 32.079 31.700 -0.068 0.000 0.823 779 F N 3.898 123.885 119.950 0.063 0.000 2.087 779 F HA -0.309 4.218 4.527 0.001 0.000 0.299 779 F C 1.574 177.456 175.800 0.136 0.000 1.100 779 F CA 1.839 59.915 58.000 0.127 0.000 1.226 779 F CB -0.749 38.203 39.000 -0.079 0.000 0.983 779 F HN 0.279 nan 8.300 nan 0.000 0.479 780 Y N 0.067 120.389 120.300 0.038 0.000 2.274 780 Y HA -0.182 4.369 4.550 0.001 0.000 0.290 780 Y C 2.636 178.522 175.900 -0.024 0.000 1.145 780 Y CA 1.893 59.963 58.100 -0.050 0.000 1.203 780 Y CB -1.293 37.203 38.460 0.061 0.000 0.984 780 Y HN 0.315 nan 8.280 nan 0.000 0.533 781 H N -1.844 117.302 119.070 0.127 0.000 2.423 781 H HA -0.110 4.447 4.556 0.001 0.000 0.297 781 H C 2.098 177.389 175.328 -0.061 0.000 1.075 781 H CA 1.175 57.244 56.048 0.035 0.000 1.342 781 H CB 0.098 29.874 29.762 0.024 0.000 1.395 781 H HN 0.119 nan 8.280 nan 0.000 0.530 782 V N 0.156 120.048 119.914 -0.036 0.000 2.407 782 V HA -0.218 3.903 4.120 0.001 0.000 0.245 782 V C 2.120 178.089 176.094 -0.208 0.000 1.041 782 V CA 1.237 63.365 62.300 -0.286 0.000 1.040 782 V CB -0.528 30.809 31.823 -0.809 0.000 0.671 782 V HN 0.629 nan 8.190 nan 0.000 0.455 783 W N 1.610 122.681 121.300 -0.382 0.000 2.355 783 W HA -0.199 4.462 4.660 0.001 0.000 0.309 783 W C 2.141 178.623 176.519 -0.062 0.000 1.206 783 W CA 2.040 59.229 57.345 -0.260 0.000 1.284 783 W CB -0.217 28.852 29.460 -0.652 0.000 1.145 783 W HN 0.360 nan 8.180 nan 0.000 0.502 784 N N -0.439 118.257 118.700 -0.007 0.000 2.244 784 N HA 0.059 4.800 4.740 0.001 0.000 0.183 784 N C 1.013 176.443 175.510 -0.134 0.000 1.016 784 N CA 1.061 54.078 53.050 -0.055 0.000 0.866 784 N CB -0.382 38.150 38.487 0.076 0.000 0.980 784 N HN 0.194 nan 8.380 nan 0.000 0.430 785 G N -0.261 108.472 108.800 -0.112 0.000 2.725 785 G HA2 -0.265 3.695 3.960 0.001 0.000 0.220 785 G HA3 -0.265 3.695 3.960 0.001 0.000 0.220 785 G C 0.151 175.009 174.900 -0.069 0.000 1.357 785 G CA -0.352 44.684 45.100 -0.106 0.000 0.866 785 G HN 0.236 nan 8.290 nan 0.000 0.548 786 S N -1.174 114.485 115.700 -0.068 0.000 3.445 786 S HA -0.202 4.269 4.470 0.001 0.000 0.319 786 S C 0.405 174.988 174.600 -0.028 0.000 1.209 786 S CA 2.259 60.431 58.200 -0.047 0.000 0.934 786 S CB -1.115 62.054 63.200 -0.053 0.000 0.999 786 S HN 0.957 nan 8.310 nan 0.000 0.582 787 Q N 0.497 120.279 119.800 -0.029 0.000 2.333 787 Q HA 0.347 4.687 4.340 0.001 0.000 0.268 787 Q C -0.159 175.835 176.000 -0.009 0.000 1.007 787 Q CA -0.502 55.285 55.803 -0.028 0.000 0.810 787 Q CB 1.696 30.407 28.738 -0.046 0.000 1.264 787 Q HN 0.277 nan 8.270 nan 0.000 0.452 788 K N 1.407 121.807 120.400 0.001 0.000 2.378 788 K HA 0.221 4.542 4.320 0.001 0.000 0.288 788 K C -0.134 176.509 176.600 0.072 0.000 1.057 788 K CA 0.415 56.715 56.287 0.021 0.000 0.971 788 K CB 0.250 32.759 32.500 0.014 0.000 0.975 788 K HN 0.826 nan 8.250 nan 0.000 0.475 789 A N 4.352 127.229 122.820 0.095 0.000 2.362 789 A HA -0.182 4.139 4.320 0.001 0.000 0.290 789 A C 0.060 177.868 177.584 0.374 0.000 1.441 789 A CA 0.222 52.401 52.037 0.236 0.000 0.743 789 A CB -1.751 17.377 19.000 0.213 0.000 1.125 789 A HN 0.815 nan 8.150 nan 0.000 0.378 790 L N 3.262 124.613 121.223 0.212 0.000 2.499 790 L HA 0.354 4.695 4.340 0.001 0.000 0.273 790 L C 1.070 178.025 176.870 0.142 0.000 1.195 790 L CA 0.591 55.494 54.840 0.105 0.000 0.882 790 L CB 0.263 42.331 42.059 0.015 0.000 1.133 790 L HN 0.852 nan 8.230 nan 0.000 0.483 791 H N 1.696 120.672 119.070 -0.157 0.000 3.014 791 H HA 0.393 4.949 4.556 0.001 0.000 0.337 791 H C -1.576 173.605 175.328 -0.245 0.000 1.320 791 H CA -1.020 54.839 56.048 -0.316 0.000 1.128 791 H CB 1.176 30.435 29.762 -0.839 0.000 1.862 791 H HN 0.469 nan 8.280 nan 0.000 0.536 792 C N 1.122 120.304 119.300 -0.195 0.000 2.456 792 C HA 0.582 5.043 4.460 0.001 0.000 0.325 792 C C 0.237 175.083 174.990 -0.240 0.000 1.217 792 C CA -0.295 58.553 59.018 -0.282 0.000 1.687 792 C CB 1.423 28.992 27.740 -0.285 0.000 2.270 792 C HN 0.787 nan 8.230 nan 0.000 0.499 793 T N 2.797 117.165 114.554 -0.310 0.000 2.795 793 T HA 0.542 4.893 4.350 0.001 0.000 0.282 793 T C -0.790 173.649 174.700 -0.434 0.000 0.980 793 T CA 0.052 62.012 62.100 -0.233 0.000 1.012 793 T CB 0.293 69.083 68.868 -0.129 0.000 0.936 793 T HN 0.366 nan 8.240 nan 0.000 0.457 794 F N 1.730 121.619 119.950 -0.101 0.000 2.458 794 F HA 0.473 5.001 4.527 0.001 0.000 0.336 794 F C 0.862 176.587 175.800 -0.125 0.000 1.114 794 F CA -0.713 57.229 58.000 -0.097 0.000 0.987 794 F CB 1.854 40.797 39.000 -0.095 0.000 1.130 794 F HN 0.369 nan 8.300 nan 0.000 0.458 795 T N 5.152 119.753 114.554 0.077 0.000 2.792 795 T HA 0.732 5.083 4.350 0.001 0.000 0.280 795 T C -0.481 174.258 174.700 0.065 0.000 0.990 795 T CA -0.537 61.578 62.100 0.024 0.000 0.960 795 T CB 0.989 69.862 68.868 0.007 0.000 0.939 795 T HN 0.275 nan 8.240 nan 0.000 0.439 796 L N 2.090 123.355 121.223 0.070 0.000 2.279 796 L HA 0.835 5.176 4.340 0.001 0.000 0.262 796 L C -0.268 176.781 176.870 0.297 0.000 1.019 796 L CA -1.051 53.892 54.840 0.171 0.000 0.823 796 L CB 1.855 43.919 42.059 0.008 0.000 1.358 796 L HN 0.483 nan 8.230 nan 0.000 0.432 797 E N 0.503 120.916 120.200 0.354 0.000 2.274 797 E HA 0.380 4.731 4.350 0.001 0.000 0.269 797 E C -1.395 175.146 176.600 -0.099 0.000 0.891 797 E CA -0.688 55.799 56.400 0.145 0.000 0.784 797 E CB 1.318 31.047 29.700 0.048 0.000 1.225 797 E HN 0.463 nan 8.360 nan 0.000 0.412 798 R N 2.975 123.178 120.500 -0.495 0.000 2.457 798 R HA 0.433 4.774 4.340 0.001 0.000 0.284 798 R C 0.217 176.230 176.300 -0.478 0.000 1.024 798 R CA -0.460 55.034 56.100 -1.010 0.000 1.025 798 R CB 0.806 30.263 30.300 -1.406 0.000 1.063 798 R HN 0.645 nan 8.270 nan 0.000 0.493 799 H N 0.115 118.984 119.070 -0.335 0.000 2.353 799 H HA -0.077 4.479 4.556 0.001 0.000 0.300 799 H C 0.445 175.690 175.328 -0.138 0.000 1.090 799 H CA 1.928 57.881 56.048 -0.158 0.000 1.327 799 H CB 0.291 30.002 29.762 -0.086 0.000 1.383 799 H HN 0.771 nan 8.280 nan 0.000 0.508 800 S N -1.348 114.322 115.700 -0.051 0.000 2.638 800 S HA 0.186 4.657 4.470 0.001 0.000 0.274 800 S C 0.218 174.750 174.600 -0.113 0.000 1.157 800 S CA -0.846 57.317 58.200 -0.060 0.000 0.826 800 S CB 1.252 64.439 63.200 -0.023 0.000 1.139 800 S HN 0.040 nan 8.310 nan 0.000 0.474 801 L N 1.358 122.537 121.223 -0.073 0.000 2.450 801 L HA 0.128 4.468 4.340 0.001 0.000 0.224 801 L C 2.789 179.624 176.870 -0.059 0.000 1.149 801 L CA 1.684 56.485 54.840 -0.064 0.000 0.816 801 L CB -0.994 41.045 42.059 -0.033 0.000 0.932 801 L HN 0.940 nan 8.230 nan 0.000 0.449 802 A N -1.447 121.336 122.820 -0.062 0.000 1.933 802 A HA -0.105 4.215 4.320 0.001 0.000 0.218 802 A C 1.645 179.179 177.584 -0.083 0.000 1.175 802 A CA 0.921 52.923 52.037 -0.059 0.000 0.628 802 A CB -0.560 18.409 19.000 -0.052 0.000 0.814 802 A HN 0.325 nan 8.150 nan 0.000 0.444 803 S N 0.967 116.586 115.700 -0.133 0.000 2.519 803 S HA 0.247 4.718 4.470 0.001 0.000 0.310 803 S C 1.062 175.651 174.600 -0.017 0.000 1.201 803 S CA 0.590 58.705 58.200 -0.142 0.000 1.179 803 S CB 0.050 63.041 63.200 -0.349 0.000 1.104 803 S HN 0.666 nan 8.310 nan 0.000 0.527 804 T N -0.266 114.316 114.554 0.046 0.000 3.084 804 T HA 0.336 4.687 4.350 0.001 0.000 0.270 804 T C 0.007 174.793 174.700 0.145 0.000 1.008 804 T CA -0.409 61.738 62.100 0.078 0.000 0.900 804 T CB 0.121 69.013 68.868 0.040 0.000 1.084 804 T HN 0.485 nan 8.240 nan 0.000 0.538 805 E N 0.625 120.957 120.200 0.220 0.000 2.263 805 E HA 0.559 4.910 4.350 0.001 0.000 0.268 805 E C -2.062 174.716 176.600 0.297 0.000 0.884 805 E CA -0.852 55.696 56.400 0.246 0.000 0.766 805 E CB 2.117 31.953 29.700 0.226 0.000 1.196 805 E HN 0.292 nan 8.360 nan 0.000 0.416 806 F N 2.566 122.490 119.950 -0.043 0.000 2.495 806 F HA 0.549 5.077 4.527 0.001 0.000 0.327 806 F C -0.656 174.954 175.800 -0.316 0.000 1.103 806 F CA -0.311 57.486 58.000 -0.338 0.000 0.949 806 F CB 1.523 40.142 39.000 -0.635 0.000 1.142 806 F HN 0.325 nan 8.300 nan 0.000 0.457 807 T N 2.809 116.653 114.554 -1.184 0.000 2.909 807 T HA 0.754 5.105 4.350 0.001 0.000 0.299 807 T C -0.714 173.290 174.700 -1.159 0.000 1.073 807 T CA -0.643 60.877 62.100 -0.967 0.000 0.999 807 T CB 0.872 69.358 68.868 -0.637 0.000 1.098 807 T HN 1.256 nan 8.240 nan 0.000 0.477 808 C N 0.570 119.431 119.300 -0.732 0.000 3.231 808 C HA 0.801 5.262 4.460 0.001 0.000 0.343 808 C C -1.550 173.317 174.990 -0.205 0.000 1.349 808 C CA -1.159 57.578 59.018 -0.469 0.000 1.209 808 C CB 0.724 28.166 27.740 -0.497 0.000 1.475 808 C HN 1.363 nan 8.230 nan 0.000 0.460 809 K N 1.439 121.784 120.400 -0.091 0.000 2.213 809 K HA 0.727 5.048 4.320 0.001 0.000 0.270 809 K C -1.111 175.503 176.600 0.022 0.000 1.002 809 K CA -0.394 55.899 56.287 0.010 0.000 0.868 809 K CB 1.385 33.923 32.500 0.063 0.000 1.093 809 K HN 0.700 nan 8.250 nan 0.000 0.454 810 V N 4.822 124.774 119.914 0.063 0.000 2.398 810 V HA 0.280 4.400 4.120 0.001 0.000 0.286 810 V C -0.516 175.677 176.094 0.165 0.000 1.026 810 V CA -0.983 61.333 62.300 0.028 0.000 0.868 810 V CB 1.145 32.955 31.823 -0.022 0.000 0.982 810 V HN 0.911 nan 8.190 nan 0.000 0.443 811 C N 6.463 125.839 119.300 0.127 0.000 2.322 811 C HA 0.837 5.298 4.460 0.001 0.000 0.324 811 C C -0.350 174.738 174.990 0.163 0.000 1.284 811 C CA -0.158 58.963 59.018 0.171 0.000 1.606 811 C CB 0.495 28.355 27.740 0.200 0.000 2.251 811 C HN 0.719 nan 8.230 nan 0.000 0.502 812 V N 7.610 127.638 119.914 0.190 0.000 2.483 812 V HA 0.705 4.826 4.120 0.001 0.000 0.297 812 V C -0.258 175.930 176.094 0.156 0.000 1.027 812 V CA -0.433 61.981 62.300 0.190 0.000 0.855 812 V CB 1.430 33.403 31.823 0.250 0.000 0.995 812 V HN 0.977 nan 8.190 nan 0.000 0.424 813 R N 3.086 123.670 120.500 0.140 0.000 2.707 813 R HA 0.640 4.981 4.340 0.001 0.000 0.272 813 R C -1.208 175.179 176.300 0.145 0.000 1.011 813 R CA -0.923 55.248 56.100 0.117 0.000 0.893 813 R CB 2.249 32.586 30.300 0.062 0.000 1.233 813 R HN 0.594 nan 8.270 nan 0.000 0.464 814 Q N 2.130 122.020 119.800 0.151 0.000 2.274 814 Q HA 0.261 4.602 4.340 0.001 0.000 0.256 814 Q C -0.529 175.470 176.000 -0.001 0.000 0.927 814 Q CA -0.787 55.102 55.803 0.144 0.000 0.939 814 Q CB 1.670 30.465 28.738 0.095 0.000 1.201 814 Q HN 0.512 nan 8.270 nan 0.000 0.426 815 V N 4.731 124.631 119.914 -0.024 0.000 2.644 815 V HA -0.120 4.001 4.120 0.001 0.000 0.305 815 V C 0.911 176.768 176.094 -0.394 0.000 1.053 815 V CA 1.230 63.427 62.300 -0.171 0.000 1.186 815 V CB 0.294 32.042 31.823 -0.125 0.000 0.895 815 V HN 1.123 nan 8.190 nan 0.000 0.490 816 E N 2.245 122.226 120.200 -0.365 0.000 3.370 816 E HA -0.207 4.144 4.350 0.001 0.000 0.291 816 E C 0.404 176.867 176.600 -0.229 0.000 0.916 816 E CA 1.505 57.690 56.400 -0.359 0.000 0.981 816 E CB -1.241 28.091 29.700 -0.613 0.000 1.498 816 E HN 1.066 nan 8.360 nan 0.000 0.452 817 G N -1.139 107.563 108.800 -0.164 0.000 3.264 817 G HA2 0.564 4.524 3.960 0.001 0.000 0.168 817 G HA3 0.564 4.524 3.960 0.001 0.000 0.168 817 G C -0.556 174.317 174.900 -0.045 0.000 1.145 817 G CA -0.361 44.678 45.100 -0.102 0.000 0.855 817 G HN 0.112 nan 8.290 nan 0.000 0.629 818 E N -0.726 119.473 120.200 -0.002 0.000 2.371 818 E HA 0.490 4.841 4.350 0.001 0.000 0.257 818 E C -0.196 176.432 176.600 0.046 0.000 1.134 818 E CA 0.049 56.465 56.400 0.027 0.000 0.919 818 E CB 1.352 31.087 29.700 0.058 0.000 1.025 818 E HN 0.576 nan 8.360 nan 0.000 0.438 819 G N 0.610 109.433 108.800 0.037 0.000 2.704 819 G HA2 0.332 4.293 3.960 0.001 0.000 0.293 819 G HA3 0.332 4.293 3.960 0.001 0.000 0.293 819 G C -1.316 173.598 174.900 0.025 0.000 1.421 819 G CA -0.471 44.657 45.100 0.047 0.000 0.870 819 G HN 0.213 nan 8.290 nan 0.000 0.492 820 Q N -0.274 119.545 119.800 0.033 0.000 2.413 820 Q HA 0.604 4.944 4.340 0.001 0.000 0.276 820 Q C -0.949 175.037 176.000 -0.023 0.000 1.099 820 Q CA -0.676 55.102 55.803 -0.042 0.000 0.814 820 Q CB 3.022 31.704 28.738 -0.093 0.000 1.379 820 Q HN 0.523 nan 8.270 nan 0.000 0.436 821 I N 1.401 121.899 120.570 -0.121 0.000 2.436 821 I HA 0.381 4.552 4.170 0.001 0.000 0.289 821 I C -0.943 175.066 176.117 -0.180 0.000 1.010 821 I CA -0.578 60.693 61.300 -0.048 0.000 1.098 821 I CB 1.251 39.233 38.000 -0.031 0.000 1.266 821 I HN 0.380 nan 8.210 nan 0.000 0.434 822 F N 4.223 124.171 119.950 -0.003 0.000 2.411 822 F HA 0.365 4.892 4.527 0.001 0.000 0.352 822 F C 0.445 176.229 175.800 -0.026 0.000 1.123 822 F CA -0.723 57.269 58.000 -0.014 0.000 1.044 822 F CB 1.221 40.210 39.000 -0.018 0.000 1.135 822 F HN 0.320 nan 8.300 nan 0.000 0.461 823 Q N 4.683 124.554 119.800 0.117 0.000 2.406 823 Q HA 0.293 4.634 4.340 0.001 0.000 0.242 823 Q C -0.595 175.449 176.000 0.074 0.000 1.036 823 Q CA -0.245 55.592 55.803 0.058 0.000 0.904 823 Q CB 1.615 30.367 28.738 0.024 0.000 1.244 823 Q HN 0.690 nan 8.270 nan 0.000 0.478 824 L N 3.146 124.386 121.223 0.029 0.000 2.334 824 L HA 0.342 4.683 4.340 0.001 0.000 0.277 824 L C -0.684 176.191 176.870 0.010 0.000 1.075 824 L CA -0.334 54.525 54.840 0.031 0.000 0.804 824 L CB 0.669 42.727 42.059 -0.001 0.000 1.174 824 L HN 0.505 nan 8.230 nan 0.000 0.438 825 H N 2.950 122.012 119.070 -0.013 0.000 3.277 825 H HA 0.344 4.901 4.556 0.001 0.000 0.329 825 H C -1.224 174.146 175.328 0.070 0.000 1.034 825 H CA -0.425 55.618 56.048 -0.009 0.000 1.530 825 H CB 1.133 30.889 29.762 -0.010 0.000 1.837 825 H HN 0.755 nan 8.280 nan 0.000 0.493 826 T N 1.208 116.033 114.554 0.451 0.000 2.940 826 T HA 0.721 5.072 4.350 0.001 0.000 0.288 826 T C -0.032 174.875 174.700 0.345 0.000 1.045 826 T CA -0.812 61.515 62.100 0.378 0.000 1.018 826 T CB 2.135 71.248 68.868 0.409 0.000 1.151 826 T HN 0.523 nan 8.240 nan 0.000 0.529 827 T N -0.239 114.464 114.554 0.249 0.000 2.876 827 T HA 0.741 5.092 4.350 0.001 0.000 0.289 827 T C -0.829 173.947 174.700 0.127 0.000 1.014 827 T CA -0.814 61.384 62.100 0.163 0.000 0.986 827 T CB 1.123 70.049 68.868 0.096 0.000 1.021 827 T HN 0.469 nan 8.240 nan 0.000 0.458 849 T N 2.433 117.022 114.554 0.059 0.000 2.949 849 T HA 0.616 4.967 4.350 0.001 0.000 0.300 849 T C -1.392 173.342 174.700 0.057 0.000 0.988 849 T CA -0.546 61.612 62.100 0.096 0.000 0.993 849 T CB 2.128 71.022 68.868 0.043 0.000 0.984 849 T HN 0.378 nan 8.240 nan 0.000 0.442 850 Q N 2.366 122.216 119.800 0.083 0.000 2.342 850 Q HA 0.692 5.033 4.340 0.001 0.000 0.267 850 Q C -0.894 175.150 176.000 0.075 0.000 1.038 850 Q CA -0.857 54.956 55.803 0.016 0.000 0.832 850 Q CB 2.510 31.206 28.738 -0.071 0.000 1.323 850 Q HN 0.506 nan 8.270 nan 0.000 0.448 851 L N 0.681 121.916 121.223 0.021 0.000 2.334 851 L HA 0.619 4.960 4.340 0.001 0.000 0.273 851 L C 0.559 177.436 176.870 0.012 0.000 1.013 851 L CA -0.958 53.928 54.840 0.076 0.000 0.816 851 L CB 1.577 43.665 42.059 0.048 0.000 1.278 851 L HN 0.734 nan 8.230 nan 0.000 0.431 852 G N 1.115 109.997 108.800 0.136 0.000 2.483 852 G HA2 0.334 4.294 3.960 0.001 0.000 0.248 852 G HA3 0.334 4.294 3.960 0.001 0.000 0.248 852 G C -1.899 173.131 174.900 0.218 0.000 1.248 852 G CA -0.713 44.569 45.100 0.304 0.000 0.838 852 G HN 0.538 nan 8.290 nan 0.000 0.566 853 P HA 0.092 nan 4.420 nan 0.000 0.261 853 P C 1.188 178.650 177.300 0.271 0.000 1.268 853 P CA 0.569 63.896 63.100 0.378 0.000 0.833 853 P CB -0.021 31.822 31.700 0.238 0.000 1.231 854 Y N 0.212 120.567 120.300 0.092 0.000 2.509 854 Y HA 0.300 4.851 4.550 0.001 0.000 0.293 854 Y C 2.510 178.362 175.900 -0.080 0.000 1.133 854 Y CA 0.730 58.844 58.100 0.024 0.000 1.283 854 Y CB -1.222 37.245 38.460 0.011 0.000 1.001 854 Y HN 0.206 nan 8.280 nan 0.000 0.555 855 A N -0.708 121.944 122.820 -0.279 0.000 2.172 855 A HA 0.274 4.594 4.320 0.001 0.000 0.216 855 A C 0.366 177.611 177.584 -0.565 0.000 1.154 855 A CA 0.496 52.231 52.037 -0.504 0.000 0.701 855 A CB -0.672 17.883 19.000 -0.741 0.000 0.789 855 A HN 0.589 nan 8.150 nan 0.000 0.465 856 F N -1.320 118.653 119.950 0.040 0.000 2.492 856 F HA 0.458 4.986 4.527 0.001 0.000 0.327 856 F C 1.100 176.937 175.800 0.063 0.000 1.079 856 F CA -1.139 56.890 58.000 0.047 0.000 0.967 856 F CB 1.301 40.334 39.000 0.054 0.000 1.169 856 F HN -0.234 nan 8.300 nan 0.000 0.472 857 K N 1.500 122.070 120.400 0.282 0.000 2.243 857 K HA 0.203 4.524 4.320 0.001 0.000 0.201 857 K C 0.322 177.067 176.600 0.242 0.000 1.051 857 K CA 0.816 57.242 56.287 0.233 0.000 0.970 857 K CB 0.067 32.716 32.500 0.249 0.000 0.755 857 K HN 0.512 nan 8.250 nan 0.000 0.465 858 I N 3.496 124.220 120.570 0.255 0.000 2.312 858 I HA 0.165 4.335 4.170 0.001 0.000 0.290 858 I C -2.332 173.846 176.117 0.101 0.000 1.008 858 I CA -2.406 58.977 61.300 0.139 0.000 1.226 858 I CB 1.152 39.196 38.000 0.074 0.000 1.371 858 I HN -0.203 nan 8.210 nan 0.000 0.468 859 P HA 0.108 nan 4.420 nan 0.000 0.269 859 P C 0.904 178.211 177.300 0.011 0.000 1.215 859 P CA -0.255 62.877 63.100 0.053 0.000 0.780 859 P CB 0.738 32.462 31.700 0.039 0.000 0.898 860 L N 1.093 122.317 121.223 0.003 0.000 2.079 860 L HA -0.229 4.111 4.340 0.001 0.000 0.210 860 L C 2.394 179.244 176.870 -0.033 0.000 1.081 860 L CA 2.229 57.050 54.840 -0.032 0.000 0.752 860 L CB -1.096 40.947 42.059 -0.027 0.000 0.896 860 L HN 0.484 nan 8.230 nan 0.000 0.433 861 S N 0.317 116.007 115.700 -0.018 0.000 2.370 861 S HA -0.197 4.273 4.470 0.001 0.000 0.226 861 S C 1.884 176.467 174.600 -0.029 0.000 1.033 861 S CA 1.263 59.451 58.200 -0.020 0.000 1.011 861 S CB -0.699 62.495 63.200 -0.010 0.000 0.852 861 S HN 0.384 nan 8.310 nan 0.000 0.457 862 I N 1.798 122.351 120.570 -0.029 0.000 2.233 862 I HA -0.079 4.092 4.170 0.001 0.000 0.243 862 I C 3.007 179.088 176.117 -0.061 0.000 1.093 862 I CA 1.227 62.502 61.300 -0.042 0.000 1.380 862 I CB -0.392 37.586 38.000 -0.037 0.000 1.067 862 I HN 0.298 nan 8.210 nan 0.000 0.413 863 R N 1.251 121.713 120.500 -0.064 0.000 2.113 863 R HA -0.275 4.065 4.340 0.001 0.000 0.244 863 R C 2.239 178.492 176.300 -0.079 0.000 1.142 863 R CA 2.070 58.121 56.100 -0.083 0.000 0.953 863 R CB -0.287 29.958 30.300 -0.091 0.000 0.860 863 R HN 0.417 nan 8.270 nan 0.000 0.438 864 Q N -0.029 119.731 119.800 -0.067 0.000 2.084 864 Q HA -0.208 4.132 4.340 0.001 0.000 0.202 864 Q C 2.137 178.105 176.000 -0.054 0.000 0.978 864 Q CA 1.927 57.694 55.803 -0.060 0.000 0.844 864 Q CB -0.025 28.683 28.738 -0.049 0.000 0.898 864 Q HN 0.227 nan 8.270 nan 0.000 0.426 865 K N 0.835 121.205 120.400 -0.050 0.000 2.026 865 K HA -0.138 4.182 4.320 0.001 0.000 0.208 865 K C 1.766 178.334 176.600 -0.053 0.000 1.048 865 K CA 1.187 57.447 56.287 -0.046 0.000 0.929 865 K CB -0.082 32.392 32.500 -0.043 0.000 0.713 865 K HN 0.133 nan 8.250 nan 0.000 0.439 866 I N 0.031 120.560 120.570 -0.068 0.000 2.179 866 I HA -0.359 3.812 4.170 0.001 0.000 0.242 866 I C 2.271 178.350 176.117 -0.064 0.000 1.088 866 I CA 0.990 62.244 61.300 -0.077 0.000 1.357 866 I CB -0.369 37.565 38.000 -0.110 0.000 1.051 866 I HN 0.273 nan 8.210 nan 0.000 0.409 867 C N 0.812 120.070 119.300 -0.070 0.000 2.429 867 C HA -0.112 4.349 4.460 0.001 0.000 0.277 867 C C 2.649 177.611 174.990 -0.045 0.000 1.262 867 C CA 0.760 59.737 59.018 -0.067 0.000 1.733 867 C CB -1.409 26.280 27.740 -0.085 0.000 2.010 867 C HN 0.540 nan 8.230 nan 0.000 0.483 868 N N 0.771 119.446 118.700 -0.042 0.000 2.166 868 N HA -0.115 4.625 4.740 0.001 0.000 0.186 868 N C 1.941 177.440 175.510 -0.017 0.000 1.019 868 N CA 1.574 54.606 53.050 -0.030 0.000 0.856 868 N CB -0.560 37.908 38.487 -0.031 0.000 0.993 868 N HN 0.518 nan 8.380 nan 0.000 0.426 869 S N -0.080 115.608 115.700 -0.021 0.000 2.387 869 S HA 0.131 4.602 4.470 0.001 0.000 0.226 869 S C 1.675 176.277 174.600 0.004 0.000 1.026 869 S CA 0.484 58.676 58.200 -0.014 0.000 0.972 869 S CB 0.047 63.231 63.200 -0.026 0.000 0.814 869 S HN 0.222 nan 8.310 nan 0.000 0.477 870 L N 0.512 121.744 121.223 0.016 0.000 2.554 870 L HA 0.212 4.553 4.340 0.001 0.000 0.225 870 L C 1.503 178.478 176.870 0.175 0.000 1.104 870 L CA 0.234 55.115 54.840 0.068 0.000 0.866 870 L CB -0.136 41.956 42.059 0.055 0.000 1.047 870 L HN 0.177 nan 8.230 nan 0.000 0.468 871 D N 1.253 121.715 120.400 0.103 0.000 2.183 871 D HA -0.007 4.634 4.640 0.001 0.000 0.203 871 D C 1.157 177.553 176.300 0.160 0.000 0.969 871 D CA 0.482 54.549 54.000 0.112 0.000 0.842 871 D CB 0.099 40.889 40.800 -0.018 0.000 0.957 871 D HN 0.179 nan 8.370 nan 0.000 0.484 872 A N 2.432 125.310 122.820 0.097 0.000 2.492 872 A HA 0.263 4.583 4.320 0.001 0.000 0.254 872 A C -2.072 175.563 177.584 0.084 0.000 1.091 872 A CA -0.939 51.141 52.037 0.072 0.000 0.768 872 A CB -0.114 18.905 19.000 0.032 0.000 1.028 872 A HN -0.029 nan 8.150 nan 0.000 0.498 873 P HA -0.004 nan 4.420 nan 0.000 0.265 873 P C -0.666 176.630 177.300 -0.006 0.000 1.193 873 P CA -0.023 63.102 63.100 0.041 0.000 0.765 873 P CB 0.464 32.190 31.700 0.044 0.000 0.823 874 N N 1.776 120.447 118.700 -0.049 0.000 2.372 874 N HA 0.112 4.853 4.740 0.001 0.000 0.291 874 N C 0.748 176.221 175.510 -0.062 0.000 1.024 874 N CA -0.387 52.631 53.050 -0.054 0.000 0.873 874 N CB 1.354 39.798 38.487 -0.071 0.000 1.206 874 N HN 0.104 nan 8.380 nan 0.000 0.486 875 S N 2.892 118.565 115.700 -0.044 0.000 2.382 875 S HA -0.150 4.321 4.470 0.001 0.000 0.228 875 S C 1.898 176.469 174.600 -0.048 0.000 1.027 875 S CA 1.573 59.748 58.200 -0.040 0.000 0.991 875 S CB -0.092 63.091 63.200 -0.028 0.000 0.823 875 S HN 0.810 nan 8.310 nan 0.000 0.469 876 R N 0.632 121.101 120.500 -0.052 0.000 2.426 876 R HA 0.541 4.882 4.340 0.001 0.000 0.263 876 R C 1.403 177.660 176.300 -0.072 0.000 0.961 876 R CA 0.839 56.907 56.100 -0.053 0.000 1.086 876 R CB -1.401 28.874 30.300 -0.043 0.000 1.186 876 R HN 0.651 nan 8.270 nan 0.000 0.537 877 G N 0.063 108.804 108.800 -0.097 0.000 2.176 877 G HA2 -0.266 3.695 3.960 0.001 0.000 0.253 877 G HA3 -0.266 3.695 3.960 0.001 0.000 0.253 877 G C 0.383 175.187 174.900 -0.160 0.000 0.979 877 G CA 0.148 45.164 45.100 -0.140 0.000 0.641 877 G HN 0.594 nan 8.290 nan 0.000 0.530 878 N N 1.824 120.452 118.700 -0.120 0.000 3.303 878 N HA 0.349 5.090 4.740 0.001 0.000 0.304 878 N C 0.159 175.602 175.510 -0.112 0.000 1.302 878 N CA 0.800 53.787 53.050 -0.105 0.000 1.213 878 N CB -0.095 38.349 38.487 -0.070 0.000 1.481 878 N HN 0.714 nan 8.380 nan 0.000 0.546 879 D N -1.221 119.074 120.400 -0.175 0.000 3.096 879 D HA 0.155 4.796 4.640 0.001 0.000 0.277 879 D C 1.722 177.921 176.300 -0.168 0.000 1.256 879 D CA -0.651 53.258 54.000 -0.152 0.000 1.044 879 D CB -0.510 40.186 40.800 -0.172 0.000 1.318 879 D HN 0.153 nan 8.370 nan 0.000 0.622 880 W N 0.578 121.829 121.300 -0.081 0.000 2.364 880 W HA -0.083 4.578 4.660 0.002 0.000 0.281 880 W C 1.362 177.817 176.519 -0.107 0.000 1.219 880 W CA 0.595 57.871 57.345 -0.114 0.000 1.220 880 W CB -0.823 28.558 29.460 -0.133 0.000 1.127 880 W HN 0.163 nan 8.180 nan 0.000 0.556 881 R N 0.596 120.590 120.500 -0.843 0.000 2.081 881 R HA -0.154 4.187 4.340 0.001 0.000 0.235 881 R C 2.457 178.594 176.300 -0.272 0.000 1.131 881 R CA 1.843 57.524 56.100 -0.697 0.000 0.960 881 R CB -0.807 28.968 30.300 -0.875 0.000 0.856 881 R HN 0.127 nan 8.270 nan 0.000 0.436 882 L N 0.788 121.872 121.223 -0.232 0.000 2.109 882 L HA -0.068 4.273 4.340 0.001 0.000 0.207 882 L C 1.970 178.798 176.870 -0.070 0.000 1.086 882 L CA 1.297 56.063 54.840 -0.124 0.000 0.760 882 L CB -0.472 41.518 42.059 -0.114 0.000 0.910 882 L HN 0.118 nan 8.230 nan 0.000 0.437 883 L N 0.006 121.191 121.223 -0.064 0.000 2.017 883 L HA -0.109 4.231 4.340 0.001 0.000 0.208 883 L C 2.514 179.372 176.870 -0.019 0.000 1.073 883 L CA 2.170 56.985 54.840 -0.042 0.000 0.745 883 L CB -1.144 40.890 42.059 -0.042 0.000 0.894 883 L HN 0.253 nan 8.230 nan 0.000 0.432 884 A N -0.925 121.891 122.820 -0.006 0.000 1.883 884 A HA -0.324 3.996 4.320 0.001 0.000 0.217 884 A C 2.337 179.962 177.584 0.068 0.000 1.186 884 A CA 2.011 54.065 52.037 0.029 0.000 0.624 884 A CB -0.839 18.211 19.000 0.084 0.000 0.822 884 A HN 0.695 nan 8.150 nan 0.000 0.444 885 Q N -0.545 119.277 119.800 0.036 0.000 2.061 885 Q HA -0.226 4.115 4.340 0.001 0.000 0.204 885 Q C 1.893 177.920 176.000 0.045 0.000 0.984 885 Q CA 1.819 57.647 55.803 0.041 0.000 0.846 885 Q CB -0.099 28.642 28.738 0.005 0.000 0.902 885 Q HN 0.464 nan 8.270 nan 0.000 0.421 886 K N 0.314 120.728 120.400 0.024 0.000 2.103 886 K HA -0.114 4.207 4.320 0.001 0.000 0.207 886 K C 1.888 178.521 176.600 0.055 0.000 1.048 886 K CA 1.019 57.322 56.287 0.028 0.000 0.930 886 K CB -0.187 32.316 32.500 0.005 0.000 0.716 886 K HN 0.370 nan 8.250 nan 0.000 0.444 887 L N 1.208 122.473 121.223 0.069 0.000 2.612 887 L HA 0.047 4.387 4.340 0.001 0.000 0.230 887 L C 0.028 176.977 176.870 0.132 0.000 1.140 887 L CA -0.091 54.817 54.840 0.113 0.000 0.896 887 L CB -0.290 41.849 42.059 0.134 0.000 1.065 887 L HN 0.035 nan 8.230 nan 0.000 0.447 888 S N 0.263 116.034 115.700 0.118 0.000 3.682 888 S HA -0.212 4.258 4.470 0.001 0.000 0.354 888 S C 0.686 175.399 174.600 0.187 0.000 1.034 888 S CA 0.787 59.068 58.200 0.134 0.000 1.084 888 S CB -1.142 62.127 63.200 0.115 0.000 0.903 888 S HN 0.496 nan 8.310 nan 0.000 0.470 889 M N 0.760 120.492 119.600 0.221 0.000 2.685 889 M HA 0.114 4.595 4.480 0.001 0.000 0.355 889 M C 0.551 177.103 176.300 0.419 0.000 1.197 889 M CA -0.031 55.477 55.300 0.346 0.000 0.947 889 M CB 0.409 33.197 32.600 0.313 0.000 1.346 889 M HN 0.295 nan 8.290 nan 0.000 0.516 890 D N -0.343 120.241 120.400 0.307 0.000 2.463 890 D HA 0.023 4.663 4.640 0.001 0.000 0.224 890 D C 1.381 177.834 176.300 0.254 0.000 1.174 890 D CA -0.191 53.968 54.000 0.266 0.000 0.829 890 D CB -0.176 40.723 40.800 0.165 0.000 0.993 890 D HN 0.242 nan 8.370 nan 0.000 0.497 891 R N -0.364 120.340 120.500 0.340 0.000 2.120 891 R HA -0.141 4.199 4.340 0.001 0.000 0.234 891 R C -0.361 176.171 176.300 0.386 0.000 1.123 891 R CA 0.904 57.202 56.100 0.330 0.000 0.975 891 R CB 0.035 30.531 30.300 0.326 0.000 0.866 891 R HN 0.237 nan 8.270 nan 0.000 0.446 892 Y N 0.126 120.561 120.300 0.225 0.000 2.484 892 Y HA 0.213 4.763 4.550 0.001 0.000 0.348 892 Y C 0.013 175.881 175.900 -0.054 0.000 1.103 892 Y CA -0.728 57.438 58.100 0.110 0.000 1.317 892 Y CB 0.584 39.148 38.460 0.173 0.000 1.096 892 Y HN -0.099 nan 8.280 nan 0.000 0.568 893 L N 2.874 123.977 121.223 -0.200 0.000 2.141 893 L HA -0.172 4.168 4.340 0.001 0.000 0.209 893 L C 1.769 178.575 176.870 -0.107 0.000 1.094 893 L CA 1.421 56.271 54.840 0.017 0.000 0.763 893 L CB -0.173 41.970 42.059 0.140 0.000 0.908 893 L HN 0.668 nan 8.230 nan 0.000 0.437 894 N N -0.931 117.435 118.700 -0.558 0.000 2.348 894 N HA -0.256 4.484 4.740 0.001 0.000 0.185 894 N C 1.784 177.124 175.510 -0.283 0.000 1.019 894 N CA 0.796 53.582 53.050 -0.440 0.000 0.880 894 N CB -0.068 38.074 38.487 -0.575 0.000 0.965 894 N HN 0.327 nan 8.380 nan 0.000 0.437 895 Y N 0.614 120.650 120.300 -0.441 0.000 2.224 895 Y HA -0.204 4.346 4.550 0.001 0.000 0.289 895 Y C 1.447 177.136 175.900 -0.352 0.000 1.146 895 Y CA 1.512 59.451 58.100 -0.268 0.000 1.182 895 Y CB -0.167 38.111 38.460 -0.303 0.000 0.983 895 Y HN -0.039 nan 8.280 nan 0.000 0.524 896 F N -0.100 119.729 119.950 -0.201 0.000 2.163 896 F HA -0.036 4.492 4.527 0.001 0.000 0.297 896 F C 2.614 178.035 175.800 -0.631 0.000 1.094 896 F CA 0.899 58.635 58.000 -0.440 0.000 1.290 896 F CB -1.448 37.287 39.000 -0.442 0.000 1.017 896 F HN 0.107 nan 8.300 nan 0.000 0.483 897 A N 0.167 122.833 122.820 -0.256 0.000 1.948 897 A HA -0.236 4.085 4.320 0.001 0.000 0.220 897 A C 2.192 179.671 177.584 -0.176 0.000 1.177 897 A CA 2.384 54.328 52.037 -0.154 0.000 0.636 897 A CB -1.527 17.571 19.000 0.163 0.000 0.815 897 A HN 0.444 nan 8.150 nan 0.000 0.449 898 T N -2.794 111.640 114.554 -0.200 0.000 3.113 898 T HA 0.118 4.468 4.350 0.001 0.000 0.256 898 T C 0.682 175.253 174.700 -0.215 0.000 1.131 898 T CA 0.091 62.087 62.100 -0.174 0.000 1.074 898 T CB -0.074 68.701 68.868 -0.155 0.000 0.944 898 T HN 0.161 nan 8.240 nan 0.000 0.516 899 K N 1.259 121.487 120.400 -0.287 0.000 2.185 899 K HA 0.608 4.929 4.320 0.001 0.000 0.271 899 K C 1.447 177.921 176.600 -0.209 0.000 1.013 899 K CA 0.032 56.167 56.287 -0.252 0.000 0.943 899 K CB 0.909 33.246 32.500 -0.272 0.000 0.998 899 K HN 0.133 nan 8.250 nan 0.000 0.468 900 A N 1.477 124.203 122.820 -0.157 0.000 1.972 900 A HA -0.105 4.216 4.320 0.001 0.000 0.219 900 A C 1.088 178.582 177.584 -0.150 0.000 1.169 900 A CA 1.522 53.482 52.037 -0.128 0.000 0.635 900 A CB 0.054 18.997 19.000 -0.094 0.000 0.810 900 A HN 0.501 nan 8.150 nan 0.000 0.446 901 S N -0.797 114.797 115.700 -0.177 0.000 2.542 901 S HA 0.501 4.972 4.470 0.001 0.000 0.245 901 S C -2.155 172.263 174.600 -0.303 0.000 1.325 901 S CA -1.468 56.606 58.200 -0.209 0.000 1.176 901 S CB 1.021 64.129 63.200 -0.153 0.000 1.045 901 S HN 0.054 nan 8.310 nan 0.000 0.481 902 P HA -0.074 nan 4.420 nan 0.000 0.216 902 P C 1.359 178.321 177.300 -0.564 0.000 1.150 902 P CA 1.258 63.907 63.100 -0.752 0.000 0.837 902 P CB 0.036 30.667 31.700 -1.783 0.000 0.786 903 T N -1.145 113.165 114.554 -0.407 0.000 2.777 903 T HA -0.084 4.266 4.350 0.001 0.000 0.266 903 T C 2.067 176.650 174.700 -0.194 0.000 1.040 903 T CA 1.687 63.653 62.100 -0.222 0.000 1.141 903 T CB -1.351 67.453 68.868 -0.106 0.000 0.868 903 T HN 0.173 nan 8.240 nan 0.000 0.444 904 G N 1.188 109.884 108.800 -0.173 0.000 2.469 904 G HA2 -0.200 3.760 3.960 0.001 0.000 0.219 904 G HA3 -0.200 3.760 3.960 0.001 0.000 0.219 904 G C 1.653 176.494 174.900 -0.099 0.000 1.150 904 G CA 1.046 46.068 45.100 -0.130 0.000 0.763 904 G HN 0.460 nan 8.290 nan 0.000 0.561 905 V N 0.744 120.601 119.914 -0.095 0.000 2.453 905 V HA -0.039 4.082 4.120 0.001 0.000 0.247 905 V C 2.723 178.818 176.094 0.002 0.000 1.048 905 V CA 1.126 63.440 62.300 0.024 0.000 1.049 905 V CB -0.254 31.663 31.823 0.157 0.000 0.672 905 V HN 0.376 nan 8.190 nan 0.000 0.457 906 I N -0.259 120.163 120.570 -0.246 0.000 2.226 906 I HA -0.249 3.922 4.170 0.001 0.000 0.245 906 I C 2.289 178.369 176.117 -0.061 0.000 1.100 906 I CA 1.630 62.733 61.300 -0.328 0.000 1.374 906 I CB -0.258 37.445 38.000 -0.495 0.000 1.057 906 I HN 0.241 nan 8.210 nan 0.000 0.413 907 L N 0.090 121.280 121.223 -0.054 0.000 2.131 907 L HA -0.226 4.114 4.340 0.001 0.000 0.210 907 L C 2.082 179.028 176.870 0.126 0.000 1.092 907 L CA 1.061 55.922 54.840 0.035 0.000 0.759 907 L CB -0.722 41.308 42.059 -0.049 0.000 0.903 907 L HN 0.280 nan 8.230 nan 0.000 0.435 908 D N 0.015 120.452 120.400 0.062 0.000 2.117 908 D HA -0.176 4.465 4.640 0.001 0.000 0.197 908 D C 2.152 178.507 176.300 0.091 0.000 0.987 908 D CA 1.041 55.085 54.000 0.074 0.000 0.829 908 D CB -0.089 40.744 40.800 0.054 0.000 0.961 908 D HN 0.111 nan 8.370 nan 0.000 0.460 909 L N -0.247 121.046 121.223 0.117 0.000 2.017 909 L HA -0.101 4.240 4.340 0.001 0.000 0.208 909 L C 2.134 179.028 176.870 0.040 0.000 1.073 909 L CA 1.386 56.285 54.840 0.099 0.000 0.745 909 L CB -0.877 41.311 42.059 0.215 0.000 0.894 909 L HN 0.186 nan 8.230 nan 0.000 0.432 910 W N 0.638 121.907 121.300 -0.052 0.000 2.335 910 W HA -0.208 4.452 4.660 0.001 0.000 0.311 910 W C 2.425 178.903 176.519 -0.067 0.000 1.213 910 W CA 1.823 59.134 57.345 -0.057 0.000 1.274 910 W CB -0.001 29.434 29.460 -0.041 0.000 1.148 910 W HN 0.135 nan 8.180 nan 0.000 0.498 911 E N 0.179 120.454 120.200 0.125 0.000 2.070 911 E HA -0.276 4.074 4.350 0.001 0.000 0.197 911 E C 2.236 178.718 176.600 -0.197 0.000 1.004 911 E CA 1.812 58.200 56.400 -0.020 0.000 0.805 911 E CB -1.097 28.715 29.700 0.188 0.000 0.744 911 E HN 0.401 nan 8.360 nan 0.000 0.451 912 A N 1.267 123.963 122.820 -0.208 0.000 1.933 912 A HA -0.189 4.131 4.320 0.001 0.000 0.218 912 A C 2.168 179.407 177.584 -0.576 0.000 1.175 912 A CA 1.376 53.205 52.037 -0.346 0.000 0.628 912 A CB -0.436 18.341 19.000 -0.371 0.000 0.814 912 A HN 0.103 nan 8.150 nan 0.000 0.444 913 R N -0.916 119.201 120.500 -0.637 0.000 2.115 913 R HA -0.090 4.251 4.340 0.001 0.000 0.230 913 R C 2.031 178.099 176.300 -0.386 0.000 1.111 913 R CA 1.226 57.034 56.100 -0.487 0.000 0.976 913 R CB -0.134 29.928 30.300 -0.396 0.000 0.870 913 R HN 0.502 nan 8.270 nan 0.000 0.445 914 Q N -0.192 119.295 119.800 -0.521 0.000 2.369 914 Q HA -0.113 4.228 4.340 0.001 0.000 0.206 914 Q C 2.227 178.071 176.000 -0.261 0.000 0.963 914 Q CA 1.540 57.057 55.803 -0.476 0.000 0.894 914 Q CB -0.228 28.103 28.738 -0.678 0.000 0.965 914 Q HN 0.516 nan 8.270 nan 0.000 0.475 915 Q N 0.724 120.398 119.800 -0.209 0.000 2.364 915 Q HA -0.070 4.271 4.340 0.001 0.000 0.207 915 Q C 1.373 177.318 176.000 -0.092 0.000 0.970 915 Q CA 1.794 57.523 55.803 -0.124 0.000 0.888 915 Q CB -0.917 27.763 28.738 -0.095 0.000 0.951 915 Q HN 0.717 nan 8.270 nan 0.000 0.469 916 D N -1.192 119.148 120.400 -0.100 0.000 2.838 916 D HA 0.329 4.970 4.640 0.001 0.000 0.245 916 D C 1.605 177.860 176.300 -0.074 0.000 1.424 916 D CA 1.294 55.255 54.000 -0.065 0.000 1.214 916 D CB -0.540 40.244 40.800 -0.026 0.000 0.937 916 D HN 0.568 nan 8.370 nan 0.000 0.232 917 D N -1.028 119.327 120.400 -0.076 0.000 2.455 917 D HA 0.438 5.078 4.640 0.001 0.000 0.228 917 D C 1.595 177.857 176.300 -0.064 0.000 1.070 917 D CA 0.973 54.938 54.000 -0.059 0.000 0.881 917 D CB -0.085 40.692 40.800 -0.039 0.000 1.087 917 D HN 0.653 nan 8.370 nan 0.000 0.498 918 G N 0.522 109.260 108.800 -0.103 0.000 2.479 918 G HA2 0.436 4.396 3.960 0.001 0.000 0.275 918 G HA3 0.436 4.396 3.960 0.001 0.000 0.275 918 G C -0.198 174.665 174.900 -0.062 0.000 1.421 918 G CA 0.731 45.780 45.100 -0.086 0.000 1.059 918 G HN 0.533 nan 8.290 nan 0.000 0.535 919 D N -2.410 117.998 120.400 0.014 0.000 2.609 919 D HA 0.109 4.750 4.640 0.001 0.000 0.239 919 D C 0.887 177.361 176.300 0.290 0.000 1.229 919 D CA -0.843 53.207 54.000 0.084 0.000 0.808 919 D CB 1.049 41.895 40.800 0.076 0.000 1.448 919 D HN 0.198 nan 8.370 nan 0.000 0.433 920 L N 0.525 121.950 121.223 0.337 0.000 2.263 920 L HA -0.172 4.169 4.340 0.001 0.000 0.216 920 L C 1.678 178.707 176.870 0.264 0.000 1.111 920 L CA 1.001 56.135 54.840 0.490 0.000 0.773 920 L CB -0.377 41.860 42.059 0.297 0.000 0.906 920 L HN 0.390 nan 8.230 nan 0.000 0.439 921 N N -1.051 117.761 118.700 0.187 0.000 2.409 921 N HA -0.113 4.628 4.740 0.001 0.000 0.179 921 N C 2.068 177.642 175.510 0.107 0.000 1.032 921 N CA 1.209 54.322 53.050 0.105 0.000 0.898 921 N CB 0.007 38.539 38.487 0.076 0.000 0.971 921 N HN 0.401 nan 8.380 nan 0.000 0.441 922 S N 0.101 115.918 115.700 0.196 0.000 2.382 922 S HA -0.098 4.372 4.470 0.001 0.000 0.228 922 S C 1.950 176.612 174.600 0.104 0.000 1.027 922 S CA 0.568 58.885 58.200 0.195 0.000 0.991 922 S CB -0.435 62.952 63.200 0.312 0.000 0.823 922 S HN 0.194 nan 8.310 nan 0.000 0.469 923 L N 2.059 123.284 121.223 0.002 0.000 2.023 923 L HA 0.301 4.641 4.340 0.001 0.000 0.205 923 L C 2.765 179.515 176.870 -0.200 0.000 1.073 923 L CA 1.719 56.358 54.840 -0.336 0.000 0.745 923 L CB -1.327 40.176 42.059 -0.927 0.000 0.900 923 L HN 0.340 nan 8.230 nan 0.000 0.435 924 A N -1.380 121.363 122.820 -0.128 0.000 1.933 924 A HA -0.185 4.135 4.320 0.001 0.000 0.218 924 A C 2.356 179.911 177.584 -0.049 0.000 1.175 924 A CA 1.980 53.968 52.037 -0.082 0.000 0.628 924 A CB -0.936 18.035 19.000 -0.047 0.000 0.814 924 A HN 0.537 nan 8.150 nan 0.000 0.444 925 S N 0.070 115.757 115.700 -0.021 0.000 2.359 925 S HA -0.082 4.388 4.470 0.001 0.000 0.224 925 S C 2.325 176.915 174.600 -0.018 0.000 1.035 925 S CA 1.275 59.471 58.200 -0.007 0.000 1.018 925 S CB -0.545 62.665 63.200 0.017 0.000 0.876 925 S HN 0.818 nan 8.310 nan 0.000 0.448 926 A N 1.563 124.367 122.820 -0.027 0.000 1.877 926 A HA -0.034 4.286 4.320 0.001 0.000 0.216 926 A C 2.152 179.707 177.584 -0.049 0.000 1.186 926 A CA 1.292 53.308 52.037 -0.034 0.000 0.620 926 A CB -0.824 18.149 19.000 -0.044 0.000 0.822 926 A HN 0.449 nan 8.150 nan 0.000 0.443 927 L N -0.916 120.265 121.223 -0.070 0.000 2.083 927 L HA -0.194 4.147 4.340 0.001 0.000 0.209 927 L C 2.642 179.482 176.870 -0.049 0.000 1.083 927 L CA 1.676 56.475 54.840 -0.069 0.000 0.752 927 L CB -0.450 41.556 42.059 -0.089 0.000 0.899 927 L HN 0.512 nan 8.230 nan 0.000 0.433 928 E N 0.914 121.090 120.200 -0.041 0.000 2.051 928 E HA -0.238 4.113 4.350 0.001 0.000 0.192 928 E C 1.947 178.532 176.600 -0.025 0.000 0.991 928 E CA 1.538 57.921 56.400 -0.029 0.000 0.799 928 E CB -0.028 29.659 29.700 -0.022 0.000 0.748 928 E HN 0.431 nan 8.360 nan 0.000 0.449 929 E N -0.489 119.698 120.200 -0.022 0.000 2.204 929 E HA -0.134 4.217 4.350 0.001 0.000 0.195 929 E C 1.899 178.484 176.600 -0.025 0.000 0.990 929 E CA 1.066 57.454 56.400 -0.019 0.000 0.821 929 E CB -0.149 29.543 29.700 -0.013 0.000 0.750 929 E HN 0.401 nan 8.360 nan 0.000 0.477 930 M N -0.692 118.889 119.600 -0.032 0.000 2.562 930 M HA 0.071 4.551 4.480 0.001 0.000 0.257 930 M C 1.162 177.441 176.300 -0.035 0.000 1.099 930 M CA 0.724 56.001 55.300 -0.038 0.000 1.099 930 M CB 0.457 33.029 32.600 -0.046 0.000 1.427 930 M HN 0.261 nan 8.290 nan 0.000 0.489 931 G N 1.343 110.125 108.800 -0.031 0.000 2.147 931 G HA2 -0.204 3.757 3.960 0.001 0.000 0.244 931 G HA3 -0.204 3.757 3.960 0.001 0.000 0.244 931 G C 0.032 174.914 174.900 -0.029 0.000 1.005 931 G CA -0.090 44.993 45.100 -0.027 0.000 0.713 931 G HN 0.293 nan 8.290 nan 0.000 0.515 932 K N 0.507 120.887 120.400 -0.034 0.000 2.138 932 K HA 0.448 4.769 4.320 0.001 0.000 0.251 932 K C 1.129 177.710 176.600 -0.032 0.000 1.015 932 K CA -0.013 56.253 56.287 -0.035 0.000 0.917 932 K CB 0.912 33.386 32.500 -0.042 0.000 1.021 932 K HN 0.336 nan 8.250 nan 0.000 0.485 933 S N 1.632 117.313 115.700 -0.031 0.000 2.810 933 S HA -0.107 4.364 4.470 0.001 0.000 0.329 933 S C 1.056 175.638 174.600 -0.029 0.000 1.231 933 S CA 0.011 58.195 58.200 -0.028 0.000 1.042 933 S CB 0.167 63.351 63.200 -0.028 0.000 0.756 933 S HN 0.337 nan 8.310 nan 0.000 0.504 934 E N 4.248 124.433 120.200 -0.024 0.000 2.265 934 E HA -0.118 4.232 4.350 0.001 0.000 0.196 934 E C 1.806 178.391 176.600 -0.024 0.000 0.996 934 E CA 0.980 57.367 56.400 -0.023 0.000 0.832 934 E CB -0.144 29.546 29.700 -0.018 0.000 0.756 934 E HN 0.728 nan 8.360 nan 0.000 0.491 935 M N -0.099 119.487 119.600 -0.024 0.000 2.175 935 M HA -0.089 4.391 4.480 0.001 0.000 0.264 935 M C 2.354 178.636 176.300 -0.031 0.000 1.063 935 M CA 0.931 56.217 55.300 -0.024 0.000 1.119 935 M CB -0.685 31.902 32.600 -0.022 0.000 1.377 935 M HN 0.132 nan 8.290 nan 0.000 0.415 936 L N -0.591 120.609 121.223 -0.038 0.000 2.093 936 L HA -0.169 4.172 4.340 0.001 0.000 0.208 936 L C 2.405 179.241 176.870 -0.057 0.000 1.085 936 L CA 0.789 55.599 54.840 -0.050 0.000 0.755 936 L CB -0.405 41.620 42.059 -0.056 0.000 0.904 936 L HN 0.086 nan 8.230 nan 0.000 0.435 937 V N -0.079 119.806 119.914 -0.048 0.000 2.307 937 V HA -0.268 3.853 4.120 0.001 0.000 0.245 937 V C 2.765 178.837 176.094 -0.037 0.000 1.045 937 V CA 1.670 63.942 62.300 -0.046 0.000 1.024 937 V CB -0.985 30.817 31.823 -0.036 0.000 0.651 937 V HN 0.478 nan 8.190 nan 0.000 0.449 938 A N -0.282 122.521 122.820 -0.029 0.000 1.892 938 A HA -0.311 4.009 4.320 0.001 0.000 0.218 938 A C 2.248 179.819 177.584 -0.022 0.000 1.188 938 A CA 2.608 54.633 52.037 -0.021 0.000 0.631 938 A CB -0.594 18.396 19.000 -0.017 0.000 0.822 938 A HN 0.514 nan 8.150 nan 0.000 0.447 939 M N -0.419 119.163 119.600 -0.031 0.000 2.296 939 M HA -0.101 4.379 4.480 0.001 0.000 0.265 939 M C 1.924 178.200 176.300 -0.041 0.000 1.064 939 M CA 1.770 57.050 55.300 -0.032 0.000 1.109 939 M CB -0.264 32.313 32.600 -0.039 0.000 1.396 939 M HN 0.717 nan 8.290 nan 0.000 0.430 940 T N -4.316 110.203 114.554 -0.058 0.000 3.001 940 T HA 0.127 4.478 4.350 0.001 0.000 0.251 940 T C 0.719 175.391 174.700 -0.047 0.000 1.040 940 T CA -0.238 61.811 62.100 -0.085 0.000 0.985 940 T CB -0.396 68.378 68.868 -0.156 0.000 1.011 940 T HN 0.111 nan 8.240 nan 0.000 0.509 941 T N 2.413 116.952 114.554 -0.024 0.000 2.900 941 T HA 0.541 4.892 4.350 0.001 0.000 0.307 941 T C 0.113 174.826 174.700 0.022 0.000 1.065 941 T CA 0.127 62.227 62.100 -0.000 0.000 1.105 941 T CB 0.678 69.545 68.868 -0.002 0.000 0.979 941 T HN 0.669 nan 8.240 nan 0.000 0.544 942 D N 0.000 120.423 120.400 0.038 0.000 6.856 942 D HA 0.000 4.641 4.640 0.001 0.000 0.175 942 D CA 0.000 54.028 54.000 0.047 0.000 0.868 942 D CB 0.000 40.845 40.800 0.075 0.000 0.688 942 D HN 0.000 nan 8.370 nan 0.000 0.683