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 2qma_1_B DATA FIRST_RESID 475 DATA SEQUENCE APQEEWKKHF IHTGELGSAE FASVXSHTTS AXKSVFEQVN APYSGXDPKA DATA SEQUENCE LEDAINAVDL DNKNAPLKSV IDDVAELVAK NAIFTQHPDC IAHLHTPPLX DATA SEQUENCE PAVAAEAXIA ALNQSXDSWD QASSATYVEQ KVVNWLCDKY DLSEKADGIF DATA SEQUENCE TSGGTQSNQX GLXLARDWIA DKLSGHSIQK LGLPDYADKL RIVCSKKSHF DATA SEQUENCE TVQKSASWXG LGEKAVXTVD ANADGTXDIT KLDEVIAQAK AEGLIPFAIV DATA SEQUENCE GTAGTTDHGA IDDLDFIADX AVKHDXWXHV DGAYGGALIL SSHKSRLKGV DATA SEQUENCE ERAHSISVDF HKLFYQTISC GALLVNDKSN FKFLLXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXK RFDALKVFXT XQNVGPKALG DXYDHLLAQT LEVADXIRTN DATA SEQUENCE DQFELLAEPS LSTVLFRATH ETADLDELNK ALRLEALTRG IAVLGETIVD DATA SEQUENCE GKTALKFTIL NPCLTTSDFE SLLSKINXLA VEL 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 475 A HA 0.000 nan 4.320 nan 0.000 0.244 475 A C 0.000 177.316 177.584 -0.447 0.000 1.274 475 A CA 0.000 51.906 52.037 -0.219 0.000 0.836 475 A CB 0.000 18.937 19.000 -0.105 0.000 0.831 476 P HA 0.202 nan 4.420 nan 0.000 0.225 476 P C 0.047 176.695 177.300 -1.087 0.000 1.768 476 P CA 0.185 62.855 63.100 -0.718 0.000 0.943 476 P CB 0.186 31.546 31.700 -0.567 0.000 1.936 477 Q N 0.201 119.533 119.800 -0.780 0.000 2.170 477 Q HA -0.167 4.173 4.340 -0.000 0.000 0.203 477 Q C 1.669 177.566 176.000 -0.171 0.000 0.976 477 Q CA 1.075 56.642 55.803 -0.392 0.000 0.858 477 Q CB 0.027 28.704 28.738 -0.101 0.000 0.907 477 Q HN 0.374 nan 8.270 nan 0.000 0.433 478 E N 0.831 120.910 120.200 -0.201 0.000 2.110 478 E HA -0.207 4.143 4.350 -0.000 0.000 0.193 478 E C 1.643 178.190 176.600 -0.088 0.000 0.988 478 E CA 0.928 57.261 56.400 -0.112 0.000 0.804 478 E CB -0.011 29.625 29.700 -0.108 0.000 0.745 478 E HN 0.443 nan 8.360 nan 0.000 0.458 479 E N -0.613 119.483 120.200 -0.172 0.000 2.150 479 E HA -0.151 4.199 4.350 -0.000 0.000 0.193 479 E C 1.549 178.175 176.600 0.043 0.000 0.985 479 E CA 0.657 56.997 56.400 -0.101 0.000 0.814 479 E CB 0.042 29.659 29.700 -0.137 0.000 0.752 479 E HN 0.259 nan 8.360 nan 0.000 0.466 480 W N 1.133 122.464 121.300 0.051 0.000 2.467 480 W HA 0.021 4.681 4.660 -0.000 0.000 0.275 480 W C 1.809 178.465 176.519 0.228 0.000 1.239 480 W CA 0.270 57.721 57.345 0.178 0.000 1.266 480 W CB -0.436 29.189 29.460 0.276 0.000 1.112 480 W HN 0.080 nan 8.180 nan 0.000 0.576 481 K N 1.046 121.667 120.400 0.368 0.000 2.152 481 K HA -0.207 4.113 4.320 -0.000 0.000 0.206 481 K C 2.001 178.853 176.600 0.419 0.000 1.048 481 K CA 1.904 58.451 56.287 0.432 0.000 0.933 481 K CB -0.370 32.217 32.500 0.145 0.000 0.721 481 K HN 0.232 nan 8.250 nan 0.000 0.447 482 K N 0.391 120.862 120.400 0.118 0.000 2.209 482 K HA -0.175 4.145 4.320 -0.000 0.000 0.204 482 K C 1.092 177.699 176.600 0.012 0.000 1.048 482 K CA 1.658 57.956 56.287 0.019 0.000 0.940 482 K CB -0.353 32.084 32.500 -0.106 0.000 0.729 482 K HN 0.404 nan 8.250 nan 0.000 0.451 483 H N -0.965 118.186 119.070 0.135 0.000 2.556 483 H HA 0.150 4.706 4.556 -0.000 0.000 0.268 483 H C -0.340 174.737 175.328 -0.418 0.000 0.996 483 H CA -0.125 55.834 56.048 -0.148 0.000 1.157 483 H CB 0.033 29.644 29.762 -0.252 0.000 1.355 483 H HN 0.044 nan 8.280 nan 0.000 0.597 484 F N -0.131 119.868 119.950 0.081 0.000 2.577 484 F HA 0.376 4.903 4.527 -0.000 0.000 0.318 484 F C -0.266 175.329 175.800 -0.342 0.000 1.065 484 F CA -1.307 56.621 58.000 -0.119 0.000 0.929 484 F CB 1.431 40.331 39.000 -0.165 0.000 1.237 484 F HN -0.217 nan 8.300 nan 0.000 0.468 485 I N 2.779 123.272 120.570 -0.128 0.000 2.519 485 I HA 0.244 4.414 4.170 -0.000 0.000 0.287 485 I C -0.228 175.611 176.117 -0.463 0.000 1.047 485 I CA -0.226 60.935 61.300 -0.232 0.000 1.381 485 I CB 0.497 38.375 38.000 -0.202 0.000 1.417 485 I HN 0.427 nan 8.210 nan 0.000 0.540 486 H N 2.498 121.597 119.070 0.048 0.000 2.747 486 H HA 0.379 4.935 4.556 -0.000 0.000 0.371 486 H C -0.261 175.063 175.328 -0.006 0.000 1.161 486 H CA -0.769 55.293 56.048 0.023 0.000 1.167 486 H CB 1.889 31.674 29.762 0.038 0.000 1.732 486 H HN 0.611 nan 8.280 nan 0.000 0.544 487 T N -1.025 113.595 114.554 0.109 0.000 2.816 487 T HA 0.504 4.853 4.350 -0.000 0.000 0.282 487 T C 0.859 175.591 174.700 0.054 0.000 0.993 487 T CA 0.219 62.347 62.100 0.046 0.000 0.994 487 T CB 1.040 69.920 68.868 0.019 0.000 1.025 487 T HN 0.988 nan 8.240 nan 0.000 0.529 488 G N 0.214 109.034 108.800 0.032 0.000 2.782 488 G HA2 -0.169 3.790 3.960 -0.000 0.000 0.228 488 G HA3 -0.169 3.790 3.960 -0.000 0.000 0.228 488 G C -0.369 174.553 174.900 0.036 0.000 1.372 488 G CA -0.180 44.937 45.100 0.029 0.000 0.862 488 G HN 1.157 nan 8.290 nan 0.000 0.547 489 E N -0.003 120.215 120.200 0.029 0.000 2.465 489 E HA 0.240 4.590 4.350 -0.000 0.000 0.260 489 E C 1.412 178.036 176.600 0.039 0.000 0.980 489 E CA 0.465 56.884 56.400 0.031 0.000 0.927 489 E CB 0.152 29.865 29.700 0.022 0.000 0.934 489 E HN 1.896 nan 8.360 nan 0.000 0.459 490 L N 3.928 125.180 121.223 0.050 0.000 5.174 490 L HA -0.241 4.099 4.340 -0.000 0.000 0.420 490 L C 1.173 178.096 176.870 0.089 0.000 0.973 490 L CA 2.446 57.322 54.840 0.060 0.000 1.381 490 L CB -1.605 40.479 42.059 0.042 0.000 1.819 490 L HN 0.705 nan 8.230 nan 0.000 0.645 491 G N -0.880 107.978 108.800 0.098 0.000 2.470 491 G HA2 -0.098 3.861 3.960 -0.000 0.000 0.220 491 G HA3 -0.098 3.861 3.960 -0.000 0.000 0.220 491 G C 1.075 176.079 174.900 0.173 0.000 1.121 491 G CA 1.005 46.201 45.100 0.161 0.000 0.766 491 G HN 1.047 nan 8.290 nan 0.000 0.553 492 S N -0.928 114.854 115.700 0.137 0.000 2.730 492 S HA 0.623 5.093 4.470 -0.000 0.000 0.244 492 S C 1.891 176.638 174.600 0.244 0.000 1.022 492 S CA 0.687 58.996 58.200 0.181 0.000 1.014 492 S CB 0.863 64.124 63.200 0.101 0.000 0.963 492 S HN 0.400 nan 8.310 nan 0.000 0.540 493 A N 2.326 125.245 122.820 0.165 0.000 1.877 493 A HA -0.079 4.241 4.320 -0.000 0.000 0.216 493 A C 2.141 179.798 177.584 0.122 0.000 1.186 493 A CA 1.865 53.979 52.037 0.128 0.000 0.620 493 A CB -0.775 18.278 19.000 0.088 0.000 0.822 493 A HN 0.515 nan 8.150 nan 0.000 0.443 494 E N -0.616 119.663 120.200 0.132 0.000 2.077 494 E HA -0.170 4.180 4.350 -0.000 0.000 0.193 494 E C 1.617 178.283 176.600 0.110 0.000 0.989 494 E CA 1.387 57.848 56.400 0.102 0.000 0.800 494 E CB -0.538 29.223 29.700 0.103 0.000 0.746 494 E HN 0.557 nan 8.360 nan 0.000 0.452 495 F N 0.835 120.805 119.950 0.034 0.000 2.063 495 F HA -0.268 4.259 4.527 -0.001 0.000 0.298 495 F C 2.034 177.853 175.800 0.031 0.000 1.109 495 F CA 2.330 60.345 58.000 0.026 0.000 1.212 495 F CB -0.870 38.144 39.000 0.024 0.000 0.973 495 F HN 0.088 nan 8.300 nan 0.000 0.480 496 A N -0.743 122.011 122.820 -0.109 0.000 1.902 496 A HA -0.176 4.143 4.320 -0.000 0.000 0.217 496 A C 2.370 179.847 177.584 -0.178 0.000 1.181 496 A CA 1.884 53.782 52.037 -0.231 0.000 0.623 496 A CB -1.506 17.507 19.000 0.022 0.000 0.818 496 A HN 0.519 nan 8.150 nan 0.000 0.443 497 S N -0.772 114.885 115.700 -0.071 0.000 2.353 497 S HA -0.076 4.394 4.470 -0.000 0.000 0.222 497 S C 1.191 175.768 174.600 -0.038 0.000 1.035 497 S CA 1.179 59.359 58.200 -0.033 0.000 1.025 497 S CB -0.666 62.531 63.200 -0.005 0.000 0.902 497 S HN 0.288 nan 8.310 nan 0.000 0.440 501 H N 2.025 121.058 119.070 -0.062 0.000 2.321 501 H HA -0.005 4.551 4.556 -0.000 0.000 0.300 501 H C 1.995 177.303 175.328 -0.034 0.000 1.087 501 H CA 2.724 58.747 56.048 -0.041 0.000 1.319 501 H CB -0.108 29.631 29.762 -0.037 0.000 1.379 501 H HN 0.326 nan 8.280 nan 0.000 0.501 502 T N -0.795 113.798 114.554 0.065 0.000 2.746 502 T HA -0.171 4.178 4.350 -0.000 0.000 0.267 502 T C 1.949 176.634 174.700 -0.025 0.000 1.039 502 T CA 1.779 63.891 62.100 0.019 0.000 1.142 502 T CB -0.547 68.334 68.868 0.022 0.000 0.866 502 T HN 0.449 nan 8.240 nan 0.000 0.444 503 T N 1.661 116.201 114.554 -0.024 0.000 2.684 503 T HA -0.147 4.203 4.350 -0.000 0.000 0.267 503 T C 2.336 177.022 174.700 -0.023 0.000 1.036 503 T CA 1.634 63.730 62.100 -0.007 0.000 1.148 503 T CB -0.535 68.329 68.868 -0.005 0.000 0.863 503 T HN 0.467 nan 8.240 nan 0.000 0.436 504 S N 1.166 116.819 115.700 -0.078 0.000 2.368 504 S HA 0.144 4.614 4.470 -0.000 0.000 0.224 504 S C 1.282 175.812 174.600 -0.116 0.000 1.029 504 S CA 0.733 58.873 58.200 -0.101 0.000 0.988 504 S CB -0.562 62.544 63.200 -0.157 0.000 0.838 504 S HN 0.577 nan 8.310 nan 0.000 0.462 508 S N 0.747 116.444 115.700 -0.006 0.000 2.368 508 S HA -0.080 4.389 4.470 -0.000 0.000 0.225 508 S C 1.779 176.349 174.600 -0.050 0.000 1.030 508 S CA 1.757 59.939 58.200 -0.030 0.000 0.999 508 S CB -0.167 63.002 63.200 -0.053 0.000 0.844 508 S HN 0.250 nan 8.310 nan 0.000 0.459 509 V N 1.177 121.031 119.914 -0.100 0.000 2.255 509 V HA -0.129 3.991 4.120 -0.000 0.000 0.247 509 V C 2.186 178.171 176.094 -0.182 0.000 1.051 509 V CA 2.054 64.257 62.300 -0.161 0.000 1.018 509 V CB -0.971 30.723 31.823 -0.216 0.000 0.641 509 V HN 0.473 nan 8.190 nan 0.000 0.445 510 F N 0.644 120.550 119.950 -0.073 0.000 2.134 510 F HA -0.121 4.406 4.527 -0.000 0.000 0.299 510 F C 2.504 178.218 175.800 -0.143 0.000 1.097 510 F CA 1.499 59.421 58.000 -0.131 0.000 1.264 510 F CB -0.752 38.228 39.000 -0.033 0.000 1.001 510 F HN 0.225 nan 8.300 nan 0.000 0.479 511 E N -0.299 119.959 120.200 0.096 0.000 2.160 511 E HA -0.262 4.088 4.350 -0.000 0.000 0.195 511 E C 1.844 178.430 176.600 -0.023 0.000 0.991 511 E CA 1.410 57.824 56.400 0.024 0.000 0.810 511 E CB -0.246 29.464 29.700 0.017 0.000 0.742 511 E HN 0.514 nan 8.360 nan 0.000 0.466 512 Q N -0.093 119.674 119.800 -0.055 0.000 2.319 512 Q HA 0.105 4.445 4.340 -0.000 0.000 0.202 512 Q C 0.312 176.241 176.000 -0.118 0.000 0.896 512 Q CA 0.055 55.813 55.803 -0.075 0.000 0.942 512 Q CB 0.173 28.869 28.738 -0.069 0.000 1.083 512 Q HN -0.110 nan 8.270 nan 0.000 0.510 513 V N 3.623 123.429 119.914 -0.180 0.000 2.572 513 V HA 0.093 4.213 4.120 -0.000 0.000 0.291 513 V C 0.491 176.525 176.094 -0.101 0.000 1.039 513 V CA 0.310 62.455 62.300 -0.258 0.000 1.055 513 V CB 0.740 32.228 31.823 -0.559 0.000 0.969 513 V HN 0.691 nan 8.190 nan 0.000 0.482 514 N N 2.588 121.235 118.700 -0.088 0.000 2.194 514 N HA 0.438 5.178 4.740 -0.000 0.000 0.231 514 N C -0.482 174.982 175.510 -0.078 0.000 1.247 514 N CA 0.431 53.478 53.050 -0.004 0.000 0.884 514 N CB 1.309 39.785 38.487 -0.019 0.000 1.146 514 N HN 0.706 nan 8.380 nan 0.000 0.516 515 A N 0.337 122.956 122.820 -0.334 0.000 2.601 515 A HA 0.596 4.916 4.320 -0.000 0.000 0.291 515 A C -2.436 174.801 177.584 -0.577 0.000 1.075 515 A CA -0.904 50.717 52.037 -0.694 0.000 0.671 515 A CB 0.946 19.780 19.000 -0.276 0.000 1.277 515 A HN -0.070 nan 8.150 nan 0.000 0.417 516 P HA -0.043 nan 4.420 nan 0.000 0.220 516 P C -0.081 177.373 177.300 0.256 0.000 1.148 516 P CA 1.593 64.706 63.100 0.022 0.000 0.803 516 P CB 0.056 31.795 31.700 0.065 0.000 0.782 517 Y N -0.358 119.966 120.300 0.039 0.000 2.534 517 Y HA 0.334 4.883 4.550 -0.001 0.000 0.345 517 Y C 1.362 177.291 175.900 0.047 0.000 1.031 517 Y CA -0.878 57.275 58.100 0.088 0.000 1.022 517 Y CB 1.293 39.793 38.460 0.066 0.000 1.292 517 Y HN -0.267 nan 8.280 nan 0.000 0.459 518 S N 2.557 117.822 115.700 -0.725 0.000 2.442 518 S HA 0.306 4.776 4.470 -0.000 0.000 0.236 518 S C 1.019 175.271 174.600 -0.580 0.000 1.007 518 S CA 0.832 58.700 58.200 -0.553 0.000 0.965 518 S CB -1.055 61.893 63.200 -0.420 0.000 0.773 518 S HN 2.034 nan 8.310 nan 0.000 0.504 522 P HA -0.131 nan 4.420 nan 0.000 0.216 522 P C 1.218 178.551 177.300 0.055 0.000 1.150 522 P CA 1.003 64.158 63.100 0.091 0.000 0.837 522 P CB 0.298 32.026 31.700 0.047 0.000 0.786 523 K N -0.173 120.253 120.400 0.042 0.000 2.057 523 K HA -0.135 4.184 4.320 -0.000 0.000 0.207 523 K C 1.998 178.616 176.600 0.030 0.000 1.049 523 K CA 1.516 57.820 56.287 0.029 0.000 0.931 523 K CB -0.597 31.917 32.500 0.023 0.000 0.714 523 K HN -0.021 nan 8.250 nan 0.000 0.440 524 A N 1.181 124.022 122.820 0.036 0.000 1.902 524 A HA -0.145 4.174 4.320 -0.000 0.000 0.217 524 A C 2.041 179.646 177.584 0.035 0.000 1.181 524 A CA 1.339 53.395 52.037 0.031 0.000 0.623 524 A CB -0.631 18.387 19.000 0.029 0.000 0.818 524 A HN 0.391 nan 8.150 nan 0.000 0.443 525 L N 0.174 121.429 121.223 0.053 0.000 2.017 525 L HA -0.177 4.162 4.340 -0.000 0.000 0.208 525 L C 2.301 179.195 176.870 0.040 0.000 1.073 525 L CA 2.769 57.644 54.840 0.058 0.000 0.745 525 L CB -0.709 41.410 42.059 0.101 0.000 0.894 525 L HN 0.609 nan 8.230 nan 0.000 0.432 526 E N -0.791 119.430 120.200 0.034 0.000 2.058 526 E HA -0.275 4.075 4.350 -0.000 0.000 0.194 526 E C 1.740 178.349 176.600 0.015 0.000 0.997 526 E CA 1.669 58.081 56.400 0.020 0.000 0.801 526 E CB -0.075 29.634 29.700 0.015 0.000 0.746 526 E HN 0.572 nan 8.360 nan 0.000 0.450 527 D N 0.072 120.482 120.400 0.016 0.000 2.123 527 D HA -0.155 4.485 4.640 -0.000 0.000 0.196 527 D C 1.796 178.103 176.300 0.011 0.000 0.992 527 D CA 1.467 55.474 54.000 0.012 0.000 0.833 527 D CB -0.381 40.426 40.800 0.012 0.000 0.954 527 D HN 0.312 nan 8.370 nan 0.000 0.455 528 A N 0.415 123.244 122.820 0.015 0.000 1.930 528 A HA -0.099 4.221 4.320 -0.000 0.000 0.217 528 A C 2.366 179.956 177.584 0.011 0.000 1.175 528 A CA 0.808 52.853 52.037 0.013 0.000 0.627 528 A CB -0.636 18.373 19.000 0.016 0.000 0.815 528 A HN 0.188 nan 8.150 nan 0.000 0.443 529 I N 0.083 120.661 120.570 0.013 0.000 2.252 529 I HA -0.236 3.933 4.170 -0.000 0.000 0.245 529 I C 1.997 178.117 176.117 0.004 0.000 1.102 529 I CA 1.078 62.383 61.300 0.009 0.000 1.385 529 I CB -0.427 37.579 38.000 0.010 0.000 1.064 529 I HN 0.245 nan 8.210 nan 0.000 0.414 530 N N 1.105 119.808 118.700 0.004 0.000 2.205 530 N HA -0.128 4.611 4.740 -0.000 0.000 0.186 530 N C 1.737 177.247 175.510 0.001 0.000 1.015 530 N CA 1.501 54.552 53.050 0.002 0.000 0.862 530 N CB -0.279 38.210 38.487 0.002 0.000 0.986 530 N HN 0.374 nan 8.380 nan 0.000 0.429 531 A N 0.308 123.130 122.820 0.003 0.000 2.167 531 A HA 0.088 4.408 4.320 -0.000 0.000 0.214 531 A C 0.828 178.413 177.584 0.001 0.000 1.151 531 A CA -0.026 52.013 52.037 0.002 0.000 0.735 531 A CB -0.046 18.957 19.000 0.004 0.000 0.802 531 A HN 0.012 nan 8.150 nan 0.000 0.467 532 V N 1.944 121.858 119.914 0.001 0.000 2.599 532 V HA -0.005 4.114 4.120 -0.000 0.000 0.300 532 V C 0.136 176.228 176.094 -0.003 0.000 1.034 532 V CA 0.001 62.300 62.300 -0.001 0.000 1.115 532 V CB 0.637 32.459 31.823 -0.002 0.000 0.934 532 V HN 0.455 nan 8.190 nan 0.000 0.485 533 D N 4.601 124.999 120.400 -0.003 0.000 2.336 533 D HA 0.202 4.842 4.640 -0.000 0.000 0.249 533 D C 0.545 176.840 176.300 -0.008 0.000 1.213 533 D CA 0.040 54.038 54.000 -0.004 0.000 0.870 533 D CB 0.800 41.599 40.800 -0.002 0.000 1.076 533 D HN 0.463 nan 8.370 nan 0.000 0.483 534 L N 2.814 124.031 121.223 -0.011 0.000 2.700 534 L HA 0.226 4.566 4.340 -0.000 0.000 0.234 534 L C 0.799 177.658 176.870 -0.017 0.000 1.156 534 L CA 0.002 54.832 54.840 -0.017 0.000 0.946 534 L CB 0.301 42.349 42.059 -0.019 0.000 1.216 534 L HN 0.332 nan 8.230 nan 0.000 0.493 535 D N -0.518 119.875 120.400 -0.012 0.000 2.753 535 D HA 0.083 4.723 4.640 -0.000 0.000 0.291 535 D C 0.867 177.164 176.300 -0.004 0.000 1.075 535 D CA 0.400 54.395 54.000 -0.009 0.000 0.946 535 D CB 0.580 41.377 40.800 -0.006 0.000 1.376 535 D HN 0.172 nan 8.370 nan 0.000 0.482 536 N N 0.786 119.486 118.700 -0.001 0.000 2.238 536 N HA 0.049 4.789 4.740 -0.000 0.000 0.235 536 N C 1.136 176.649 175.510 0.005 0.000 1.209 536 N CA 0.021 53.074 53.050 0.005 0.000 0.879 536 N CB 2.050 40.541 38.487 0.006 0.000 1.136 536 N HN 0.122 nan 8.380 nan 0.000 0.517 537 K N 1.304 121.705 120.400 0.001 0.000 2.044 537 K HA 0.049 4.369 4.320 -0.000 0.000 0.204 537 K C -0.068 176.536 176.600 0.006 0.000 1.045 537 K CA 0.771 57.060 56.287 0.002 0.000 0.951 537 K CB 0.200 32.699 32.500 -0.003 0.000 0.738 537 K HN -0.103 nan 8.250 nan 0.000 0.443 538 N N 0.975 119.676 118.700 0.002 0.000 2.686 538 N HA -0.213 4.527 4.740 -0.000 0.000 0.261 538 N C -1.095 174.428 175.510 0.021 0.000 1.001 538 N CA 1.017 54.073 53.050 0.010 0.000 0.764 538 N CB -1.451 37.051 38.487 0.025 0.000 0.898 538 N HN 0.413 nan 8.380 nan 0.000 0.544 539 A N 0.218 123.044 122.820 0.011 0.000 2.282 539 A HA 0.718 5.038 4.320 -0.000 0.000 0.319 539 A C -1.865 175.730 177.584 0.018 0.000 1.121 539 A CA -1.303 50.742 52.037 0.014 0.000 0.836 539 A CB 0.559 19.562 19.000 0.005 0.000 1.146 539 A HN 0.058 nan 8.150 nan 0.000 0.494 540 P HA 0.064 nan 4.420 nan 0.000 0.266 540 P C 0.878 178.171 177.300 -0.012 0.000 1.195 540 P CA -0.388 62.719 63.100 0.012 0.000 0.768 540 P CB 0.409 32.104 31.700 -0.007 0.000 0.838 541 L N 4.130 125.348 121.223 -0.008 0.000 2.042 541 L HA -0.191 4.149 4.340 -0.000 0.000 0.210 541 L C 1.868 178.698 176.870 -0.067 0.000 1.076 541 L CA 1.961 56.787 54.840 -0.024 0.000 0.749 541 L CB -0.895 41.161 42.059 -0.005 0.000 0.893 541 L HN 0.289 nan 8.230 nan 0.000 0.432 542 K N -0.591 119.718 120.400 -0.151 0.000 2.103 542 K HA -0.173 4.147 4.320 -0.000 0.000 0.207 542 K C 2.158 178.671 176.600 -0.145 0.000 1.048 542 K CA 1.728 57.816 56.287 -0.331 0.000 0.930 542 K CB -0.316 31.794 32.500 -0.651 0.000 0.716 542 K HN 0.636 nan 8.250 nan 0.000 0.444 543 S N 0.365 116.021 115.700 -0.073 0.000 2.406 543 S HA -0.068 4.401 4.470 -0.000 0.000 0.228 543 S C 2.114 176.719 174.600 0.009 0.000 1.020 543 S CA 0.851 59.046 58.200 -0.009 0.000 0.965 543 S CB -0.403 62.793 63.200 -0.007 0.000 0.798 543 S HN 0.015 nan 8.310 nan 0.000 0.488 544 V N 2.099 122.011 119.914 -0.003 0.000 2.427 544 V HA -0.090 4.030 4.120 -0.000 0.000 0.248 544 V C 2.418 178.522 176.094 0.015 0.000 1.051 544 V CA 1.665 63.966 62.300 0.002 0.000 1.048 544 V CB -0.787 31.030 31.823 -0.010 0.000 0.666 544 V HN 0.473 nan 8.190 nan 0.000 0.456 545 I N 0.247 120.835 120.570 0.030 0.000 2.226 545 I HA -0.241 3.929 4.170 -0.000 0.000 0.245 545 I C 2.265 178.426 176.117 0.072 0.000 1.100 545 I CA 1.613 62.951 61.300 0.063 0.000 1.374 545 I CB -0.467 37.607 38.000 0.124 0.000 1.057 545 I HN 0.310 nan 8.210 nan 0.000 0.413 546 D N 0.773 121.232 120.400 0.098 0.000 2.117 546 D HA -0.177 4.463 4.640 -0.000 0.000 0.197 546 D C 1.799 178.120 176.300 0.035 0.000 0.987 546 D CA 1.251 55.297 54.000 0.077 0.000 0.829 546 D CB -0.412 40.446 40.800 0.097 0.000 0.961 546 D HN 0.300 nan 8.370 nan 0.000 0.460 547 D N 0.156 120.573 120.400 0.028 0.000 2.117 547 D HA -0.116 4.524 4.640 -0.000 0.000 0.197 547 D C 2.383 178.690 176.300 0.011 0.000 0.987 547 D CA 1.042 55.051 54.000 0.016 0.000 0.829 547 D CB -0.281 40.526 40.800 0.012 0.000 0.961 547 D HN 0.228 nan 8.370 nan 0.000 0.460 548 V N -0.135 119.785 119.914 0.011 0.000 2.427 548 V HA -0.103 4.017 4.120 -0.000 0.000 0.248 548 V C 2.437 178.532 176.094 0.002 0.000 1.051 548 V CA 1.587 63.891 62.300 0.005 0.000 1.048 548 V CB -1.251 30.573 31.823 0.002 0.000 0.666 548 V HN 0.114 nan 8.190 nan 0.000 0.456 549 A N 0.754 123.575 122.820 0.002 0.000 1.883 549 A HA -0.273 4.047 4.320 -0.000 0.000 0.217 549 A C 2.239 179.821 177.584 -0.003 0.000 1.186 549 A CA 2.361 54.391 52.037 -0.012 0.000 0.624 549 A CB -0.664 18.323 19.000 -0.020 0.000 0.822 549 A HN 0.640 nan 8.150 nan 0.000 0.444 550 E N -0.863 119.338 120.200 0.002 0.000 2.072 550 E HA -0.089 4.261 4.350 -0.000 0.000 0.190 550 E C 1.738 178.344 176.600 0.010 0.000 0.982 550 E CA 1.348 57.749 56.400 0.003 0.000 0.803 550 E CB -0.193 29.509 29.700 0.003 0.000 0.755 550 E HN 0.440 nan 8.360 nan 0.000 0.453 551 L N -1.029 120.202 121.223 0.013 0.000 2.269 551 L HA 0.165 4.505 4.340 -0.000 0.000 0.200 551 L C 1.964 178.850 176.870 0.027 0.000 1.069 551 L CA 0.831 55.682 54.840 0.019 0.000 0.804 551 L CB -0.253 41.815 42.059 0.015 0.000 0.987 551 L HN 0.061 nan 8.230 nan 0.000 0.468 552 V N 0.263 120.188 119.914 0.018 0.000 2.256 552 V HA -0.062 4.058 4.120 -0.000 0.000 0.240 552 V C 2.732 178.836 176.094 0.017 0.000 1.036 552 V CA 1.488 63.797 62.300 0.015 0.000 1.008 552 V CB -1.316 30.506 31.823 0.000 0.000 0.648 552 V HN 0.480 nan 8.190 nan 0.000 0.453 553 A N -0.235 122.589 122.820 0.007 0.000 1.883 553 A HA -0.274 4.046 4.320 -0.000 0.000 0.217 553 A C 2.256 179.923 177.584 0.138 0.000 1.186 553 A CA 2.233 54.276 52.037 0.011 0.000 0.624 553 A CB -0.587 18.402 19.000 -0.019 0.000 0.822 553 A HN 0.518 nan 8.150 nan 0.000 0.444 554 K N -0.478 119.993 120.400 0.119 0.000 2.211 554 K HA -0.086 4.234 4.320 -0.000 0.000 0.204 554 K C 0.354 177.074 176.600 0.200 0.000 1.047 554 K CA 1.236 57.612 56.287 0.149 0.000 0.935 554 K CB -0.083 32.443 32.500 0.042 0.000 0.728 554 K HN 0.427 nan 8.250 nan 0.000 0.452 555 N N -0.037 118.758 118.700 0.158 0.000 2.275 555 N HA 0.118 4.857 4.740 -0.000 0.000 0.236 555 N C -0.486 175.186 175.510 0.270 0.000 1.154 555 N CA -0.016 53.144 53.050 0.184 0.000 0.866 555 N CB 1.068 39.644 38.487 0.148 0.000 1.093 555 N HN 0.071 nan 8.380 nan 0.000 0.515 556 A N 0.570 123.471 122.820 0.135 0.000 2.240 556 A HA 0.531 4.850 4.320 -0.000 0.000 0.292 556 A C 0.275 177.845 177.584 -0.023 0.000 1.121 556 A CA -0.319 51.680 52.037 -0.062 0.000 0.851 556 A CB 0.602 19.392 19.000 -0.349 0.000 1.167 556 A HN 0.095 nan 8.150 nan 0.000 0.503 557 I N 0.754 121.268 120.570 -0.093 0.000 2.312 557 I HA 0.168 4.337 4.170 -0.000 0.000 0.291 557 I C -1.136 174.914 176.117 -0.110 0.000 1.031 557 I CA 0.272 61.590 61.300 0.029 0.000 1.293 557 I CB -0.102 37.961 38.000 0.105 0.000 1.403 557 I HN 0.380 nan 8.210 nan 0.000 0.484 558 F N 4.850 124.896 119.950 0.160 0.000 2.377 558 F HA 0.102 4.629 4.527 -0.000 0.000 0.360 558 F C 1.972 177.844 175.800 0.120 0.000 1.147 558 F CA -0.376 57.723 58.000 0.165 0.000 1.170 558 F CB 0.698 39.816 39.000 0.196 0.000 1.339 558 F HN 0.542 nan 8.300 nan 0.000 0.552 559 T N -1.197 113.431 114.554 0.123 0.000 2.881 559 T HA -0.248 4.102 4.350 -0.000 0.000 0.270 559 T C 1.531 176.284 174.700 0.089 0.000 1.068 559 T CA 1.240 63.343 62.100 0.005 0.000 1.131 559 T CB -0.163 68.582 68.868 -0.205 0.000 0.871 559 T HN 0.461 nan 8.240 nan 0.000 0.479 560 Q N 0.190 120.090 119.800 0.167 0.000 2.436 560 Q HA 0.093 4.433 4.340 -0.000 0.000 0.209 560 Q C 0.880 176.929 176.000 0.081 0.000 0.965 560 Q CA 0.533 56.391 55.803 0.091 0.000 0.910 560 Q CB -0.253 28.516 28.738 0.051 0.000 0.980 560 Q HN 0.688 nan 8.270 nan 0.000 0.491 561 H N 0.543 119.664 119.070 0.086 0.000 2.610 561 H HA 0.054 4.610 4.556 -0.000 0.000 0.336 561 H C -1.792 173.521 175.328 -0.025 0.000 1.087 561 H CA -2.075 53.990 56.048 0.029 0.000 1.405 561 H CB 1.494 31.297 29.762 0.067 0.000 1.460 561 H HN -0.089 nan 8.280 nan 0.000 0.538 562 P HA -0.095 nan 4.420 nan 0.000 0.221 562 P C 0.408 177.639 177.300 -0.116 0.000 1.145 562 P CA 1.022 63.985 63.100 -0.227 0.000 0.795 562 P CB 0.425 31.913 31.700 -0.353 0.000 0.775 563 D N -1.824 118.675 120.400 0.164 0.000 2.339 563 D HA 0.007 4.647 4.640 -0.000 0.000 0.217 563 D C 0.067 176.419 176.300 0.088 0.000 1.050 563 D CA 0.137 54.191 54.000 0.089 0.000 0.856 563 D CB -0.478 40.412 40.800 0.149 0.000 0.922 563 D HN 0.115 nan 8.370 nan 0.000 0.518 564 C N 1.468 120.840 119.300 0.120 0.000 2.227 564 C HA 0.509 4.969 4.460 -0.000 0.000 0.333 564 C C 0.818 175.834 174.990 0.044 0.000 1.145 564 C CA -0.449 58.625 59.018 0.095 0.000 1.643 564 C CB -1.791 26.029 27.740 0.134 0.000 2.185 564 C HN 0.302 nan 8.230 nan 0.000 0.497 565 I N 4.810 125.398 120.570 0.030 0.000 3.297 565 I HA 0.274 4.444 4.170 -0.000 0.000 0.321 565 I C 1.102 177.256 176.117 0.062 0.000 1.503 565 I CA 0.328 61.641 61.300 0.022 0.000 0.929 565 I CB 0.047 37.989 38.000 -0.098 0.000 1.531 565 I HN 0.659 nan 8.210 nan 0.000 0.599 566 A N 0.031 122.822 122.820 -0.048 0.000 1.887 566 A HA 0.308 4.628 4.320 -0.000 0.000 0.210 566 A C 0.763 178.170 177.584 -0.296 0.000 1.221 566 A CA 1.051 52.911 52.037 -0.296 0.000 0.635 566 A CB 0.026 18.552 19.000 -0.790 0.000 0.881 566 A HN 0.457 nan 8.150 nan 0.000 0.456 567 H N -2.213 116.931 119.070 0.123 0.000 2.908 567 H HA 0.432 4.987 4.556 -0.000 0.000 0.350 567 H C -0.929 174.436 175.328 0.062 0.000 1.217 567 H CA -1.042 55.059 56.048 0.088 0.000 1.168 567 H CB 0.773 30.598 29.762 0.105 0.000 1.891 567 H HN 0.095 nan 8.280 nan 0.000 0.566 568 L N 2.095 123.404 121.223 0.144 0.000 2.376 568 L HA 0.077 4.416 4.340 -0.000 0.000 0.250 568 L C 0.260 177.240 176.870 0.184 0.000 1.335 568 L CA 0.457 55.313 54.840 0.027 0.000 1.214 568 L CB -0.907 41.074 42.059 -0.131 0.000 1.395 568 L HN 0.359 nan 8.230 nan 0.000 0.424 569 H N 0.511 119.645 119.070 0.107 0.000 3.078 569 H HA 0.210 4.766 4.556 -0.000 0.000 0.319 569 H C -0.798 174.618 175.328 0.147 0.000 0.995 569 H CA -0.495 55.630 56.048 0.130 0.000 1.417 569 H CB 1.418 31.267 29.762 0.145 0.000 1.598 569 H HN 0.191 nan 8.280 nan 0.000 0.515 570 T N 5.952 120.636 114.554 0.217 0.000 2.882 570 T HA 0.275 4.624 4.350 -0.000 0.000 0.287 570 T C -2.456 172.321 174.700 0.129 0.000 0.992 570 T CA -1.669 60.551 62.100 0.201 0.000 1.076 570 T CB 1.038 70.072 68.868 0.276 0.000 0.961 570 T HN 0.520 nan 8.240 nan 0.000 0.490 571 P HA 0.287 nan 4.420 nan 0.000 0.276 571 P C -2.759 174.637 177.300 0.160 0.000 1.230 571 P CA -1.673 61.483 63.100 0.093 0.000 0.776 571 P CB 0.023 31.753 31.700 0.050 0.000 0.888 572 P HA 0.193 nan 4.420 nan 0.000 0.279 572 P C 0.343 177.699 177.300 0.094 0.000 1.239 572 P CA -0.132 63.061 63.100 0.155 0.000 0.789 572 P CB 0.987 32.767 31.700 0.134 0.000 0.933 576 A N 0.771 123.616 122.820 0.041 0.000 1.929 576 A HA 0.063 4.382 4.320 -0.000 0.000 0.216 576 A C 2.128 179.741 177.584 0.049 0.000 1.176 576 A CA 1.980 54.049 52.037 0.054 0.000 0.628 576 A CB -0.797 18.269 19.000 0.111 0.000 0.816 576 A HN 0.038 nan 8.150 nan 0.000 0.444 577 V N -0.176 119.771 119.914 0.055 0.000 2.453 577 V HA -0.183 3.937 4.120 -0.000 0.000 0.247 577 V C 3.005 179.125 176.094 0.044 0.000 1.048 577 V CA 1.718 64.053 62.300 0.059 0.000 1.049 577 V CB -1.141 30.723 31.823 0.068 0.000 0.672 577 V HN 0.589 nan 8.190 nan 0.000 0.457 578 A N 0.238 123.075 122.820 0.029 0.000 1.902 578 A HA -0.091 4.229 4.320 -0.000 0.000 0.217 578 A C 2.453 180.045 177.584 0.013 0.000 1.181 578 A CA 1.972 54.022 52.037 0.023 0.000 0.623 578 A CB -0.807 18.200 19.000 0.012 0.000 0.818 578 A HN 0.548 nan 8.150 nan 0.000 0.443 579 A N -0.229 122.586 122.820 -0.009 0.000 1.908 579 A HA -0.198 4.122 4.320 -0.000 0.000 0.218 579 A C 1.909 179.466 177.584 -0.044 0.000 1.181 579 A CA 1.728 53.735 52.037 -0.051 0.000 0.627 579 A CB -0.513 18.431 19.000 -0.094 0.000 0.818 579 A HN 0.517 nan 8.150 nan 0.000 0.445 580 E N 0.331 120.526 120.200 -0.008 0.000 2.118 580 E HA -0.092 4.258 4.350 -0.000 0.000 0.195 580 E C 1.455 178.078 176.600 0.039 0.000 0.992 580 E CA 0.792 57.201 56.400 0.016 0.000 0.804 580 E CB -0.676 29.049 29.700 0.041 0.000 0.741 580 E HN 0.636 nan 8.360 nan 0.000 0.458 584 A N 1.226 124.084 122.820 0.063 0.000 1.877 584 A HA -0.015 4.304 4.320 -0.000 0.000 0.216 584 A C 2.317 179.939 177.584 0.063 0.000 1.186 584 A CA 2.490 54.567 52.037 0.068 0.000 0.620 584 A CB -0.709 18.340 19.000 0.082 0.000 0.822 584 A HN 0.474 nan 8.150 nan 0.000 0.443 585 A N -0.555 122.307 122.820 0.069 0.000 1.930 585 A HA 0.069 4.389 4.320 -0.000 0.000 0.217 585 A C 2.147 179.704 177.584 -0.046 0.000 1.175 585 A CA 1.362 53.398 52.037 -0.002 0.000 0.627 585 A CB -0.490 18.486 19.000 -0.040 0.000 0.815 585 A HN 0.460 nan 8.150 nan 0.000 0.443 586 L N -1.486 119.733 121.223 -0.007 0.000 2.131 586 L HA -0.067 4.273 4.340 -0.000 0.000 0.206 586 L C 1.028 177.890 176.870 -0.013 0.000 1.087 586 L CA 0.776 55.607 54.840 -0.014 0.000 0.767 586 L CB -0.563 41.513 42.059 0.028 0.000 0.917 586 L HN 0.536 nan 8.230 nan 0.000 0.441 587 N N 1.016 119.726 118.700 0.017 0.000 2.714 587 N HA -0.179 4.561 4.740 -0.000 0.000 0.252 587 N C -0.225 175.273 175.510 -0.021 0.000 1.014 587 N CA 0.351 53.408 53.050 0.011 0.000 0.735 587 N CB -0.445 38.046 38.487 0.006 0.000 0.924 587 N HN 0.259 nan 8.380 nan 0.000 0.540 588 Q N -0.096 119.686 119.800 -0.030 0.000 2.373 588 Q HA 0.323 4.663 4.340 -0.000 0.000 0.255 588 Q C 0.451 176.392 176.000 -0.098 0.000 0.980 588 Q CA 0.131 55.861 55.803 -0.122 0.000 0.882 588 Q CB 1.490 30.072 28.738 -0.260 0.000 1.249 588 Q HN 0.414 nan 8.270 nan 0.000 0.438 592 S N -1.430 114.237 115.700 -0.055 0.000 2.550 592 S HA 0.369 4.839 4.470 -0.000 0.000 0.270 592 S C -0.140 174.439 174.600 -0.035 0.000 1.145 592 S CA -0.692 57.498 58.200 -0.017 0.000 0.852 592 S CB 1.528 64.733 63.200 0.007 0.000 1.119 592 S HN 0.108 nan 8.310 nan 0.000 0.465 593 W N 2.396 123.601 121.300 -0.158 0.000 2.318 593 W HA -0.176 4.483 4.660 -0.001 0.000 0.313 593 W C 1.604 178.023 176.519 -0.167 0.000 1.221 593 W CA 2.663 59.884 57.345 -0.206 0.000 1.266 593 W CB -0.172 29.170 29.460 -0.197 0.000 1.150 593 W HN 0.959 nan 8.180 nan 0.000 0.496 594 D N -0.409 120.075 120.400 0.139 0.000 2.371 594 D HA -0.149 4.490 4.640 -0.000 0.000 0.234 594 D C 1.124 177.352 176.300 -0.121 0.000 1.049 594 D CA 0.950 54.969 54.000 0.032 0.000 0.907 594 D CB -0.654 40.230 40.800 0.140 0.000 0.891 594 D HN 0.407 nan 8.370 nan 0.000 0.531 595 Q N -0.739 118.951 119.800 -0.184 0.000 2.164 595 Q HA 0.492 4.831 4.340 -0.000 0.000 0.226 595 Q C -0.127 175.691 176.000 -0.303 0.000 0.813 595 Q CA 0.120 55.805 55.803 -0.196 0.000 0.978 595 Q CB 1.407 30.069 28.738 -0.127 0.000 1.149 595 Q HN 0.319 nan 8.270 nan 0.000 0.489 596 A N 0.425 122.964 122.820 -0.468 0.000 3.134 596 A HA 0.228 4.547 4.320 -0.000 0.000 0.237 596 A C 0.678 177.732 177.584 -0.883 0.000 1.233 596 A CA -0.268 51.417 52.037 -0.586 0.000 1.112 596 A CB -0.436 18.283 19.000 -0.468 0.000 1.365 596 A HN 0.175 nan 8.150 nan 0.000 0.796 597 S N 0.526 115.569 115.700 -1.094 0.000 2.335 597 S HA -0.161 4.308 4.470 -0.000 0.000 0.216 597 S C 2.097 176.124 174.600 -0.954 0.000 1.032 597 S CA 1.847 58.993 58.200 -1.756 0.000 1.000 597 S CB -0.822 61.404 63.200 -1.624 0.000 0.928 597 S HN 1.493 nan 8.310 nan 0.000 0.434 598 S N 2.621 118.002 115.700 -0.531 0.000 2.428 598 S HA 0.265 4.735 4.470 -0.000 0.000 0.230 598 S C 2.066 176.436 174.600 -0.382 0.000 1.014 598 S CA 0.586 58.643 58.200 -0.237 0.000 0.957 598 S CB -0.793 62.337 63.200 -0.117 0.000 0.784 598 S HN 0.728 nan 8.310 nan 0.000 0.499 599 A N 1.980 124.371 122.820 -0.716 0.000 1.930 599 A HA -0.006 4.314 4.320 -0.000 0.000 0.217 599 A C 2.378 179.542 177.584 -0.699 0.000 1.175 599 A CA 1.930 53.235 52.037 -1.219 0.000 0.627 599 A CB -1.636 16.222 19.000 -1.903 0.000 0.815 599 A HN 0.517 nan 8.150 nan 0.000 0.443 600 T N -0.852 113.347 114.554 -0.590 0.000 2.720 600 T HA -0.177 4.173 4.350 -0.000 0.000 0.268 600 T C 1.719 176.296 174.700 -0.206 0.000 1.037 600 T CA 1.971 63.839 62.100 -0.387 0.000 1.144 600 T CB -0.446 68.185 68.868 -0.396 0.000 0.864 600 T HN 0.560 nan 8.240 nan 0.000 0.444 601 Y N 0.812 121.066 120.300 -0.078 0.000 2.263 601 Y HA 0.014 4.564 4.550 -0.000 0.000 0.292 601 Y C 2.559 178.397 175.900 -0.103 0.000 1.130 601 Y CA -0.569 57.512 58.100 -0.032 0.000 1.179 601 Y CB -1.216 37.251 38.460 0.011 0.000 0.998 601 Y HN 0.006 nan 8.280 nan 0.000 0.532 602 V N 0.275 120.145 119.914 -0.073 0.000 2.255 602 V HA -0.332 3.787 4.120 -0.000 0.000 0.247 602 V C 2.368 178.389 176.094 -0.123 0.000 1.051 602 V CA 2.335 64.473 62.300 -0.269 0.000 1.018 602 V CB -0.596 31.036 31.823 -0.318 0.000 0.641 602 V HN 0.404 nan 8.190 nan 0.000 0.445 603 E N -0.361 119.796 120.200 -0.071 0.000 2.058 603 E HA -0.329 4.021 4.350 -0.000 0.000 0.194 603 E C 2.274 178.927 176.600 0.087 0.000 0.997 603 E CA 1.687 58.045 56.400 -0.071 0.000 0.801 603 E CB -0.083 29.562 29.700 -0.091 0.000 0.746 603 E HN 0.559 nan 8.360 nan 0.000 0.450 604 Q N 1.051 120.916 119.800 0.108 0.000 2.124 604 Q HA -0.205 4.134 4.340 -0.000 0.000 0.202 604 Q C 1.881 178.001 176.000 0.201 0.000 0.977 604 Q CA 2.010 57.918 55.803 0.174 0.000 0.850 604 Q CB -0.152 28.695 28.738 0.182 0.000 0.901 604 Q HN 0.037 nan 8.270 nan 0.000 0.429 605 K N -0.801 119.701 120.400 0.170 0.000 2.026 605 K HA -0.076 4.244 4.320 -0.000 0.000 0.208 605 K C 1.745 178.513 176.600 0.281 0.000 1.048 605 K CA 1.717 58.124 56.287 0.201 0.000 0.929 605 K CB -0.673 31.921 32.500 0.157 0.000 0.713 605 K HN 0.133 nan 8.250 nan 0.000 0.439 606 V N 0.244 120.315 119.914 0.261 0.000 2.295 606 V HA -0.211 3.908 4.120 -0.000 0.000 0.246 606 V C 2.365 178.758 176.094 0.498 0.000 1.049 606 V CA 1.705 64.216 62.300 0.352 0.000 1.024 606 V CB -0.359 31.610 31.823 0.243 0.000 0.648 606 V HN 0.190 nan 8.190 nan 0.000 0.447 607 V N 0.762 120.949 119.914 0.456 0.000 2.255 607 V HA -0.286 3.834 4.120 -0.000 0.000 0.247 607 V C 2.391 178.691 176.094 0.342 0.000 1.051 607 V CA 2.335 64.886 62.300 0.419 0.000 1.018 607 V CB -0.932 31.112 31.823 0.368 0.000 0.641 607 V HN 0.577 nan 8.190 nan 0.000 0.445 608 N N -0.903 117.979 118.700 0.303 0.000 2.061 608 N HA -0.266 4.473 4.740 -0.000 0.000 0.193 608 N C 1.431 177.114 175.510 0.289 0.000 1.030 608 N CA 2.104 55.309 53.050 0.259 0.000 0.856 608 N CB -0.626 37.995 38.487 0.224 0.000 1.023 608 N HN 0.743 nan 8.380 nan 0.000 0.424 609 W N 1.799 123.197 121.300 0.162 0.000 2.358 609 W HA -0.024 4.635 4.660 -0.000 0.000 0.303 609 W C 1.994 178.613 176.519 0.167 0.000 1.208 609 W CA 0.982 58.416 57.345 0.148 0.000 1.274 609 W CB -0.464 29.085 29.460 0.149 0.000 1.138 609 W HN -0.003 nan 8.180 nan 0.000 0.515 610 L N -0.245 121.181 121.223 0.338 0.000 2.012 610 L HA -0.319 4.020 4.340 -0.000 0.000 0.210 610 L C 2.579 179.546 176.870 0.162 0.000 1.073 610 L CA 1.713 56.676 54.840 0.206 0.000 0.748 610 L CB -1.250 41.058 42.059 0.414 0.000 0.891 610 L HN 0.053 nan 8.230 nan 0.000 0.431 611 C N 0.280 119.681 119.300 0.169 0.000 2.413 611 C HA -0.195 4.264 4.460 -0.000 0.000 0.277 611 C C 2.524 177.546 174.990 0.053 0.000 1.265 611 C CA 1.076 60.172 59.018 0.130 0.000 1.752 611 C CB -1.008 26.805 27.740 0.122 0.000 1.998 611 C HN 0.727 nan 8.230 nan 0.000 0.489 612 D N 0.678 121.067 120.400 -0.018 0.000 2.097 612 D HA -0.168 4.471 4.640 -0.000 0.000 0.195 612 D C 2.031 178.217 176.300 -0.191 0.000 0.989 612 D CA 1.414 55.359 54.000 -0.091 0.000 0.827 612 D CB -0.224 40.520 40.800 -0.094 0.000 0.966 612 D HN 0.150 nan 8.370 nan 0.000 0.456 613 K N -0.425 119.758 120.400 -0.361 0.000 2.097 613 K HA -0.138 4.182 4.320 -0.000 0.000 0.206 613 K C 1.601 177.939 176.600 -0.436 0.000 1.049 613 K CA 0.942 56.935 56.287 -0.489 0.000 0.933 613 K CB -0.586 31.454 32.500 -0.766 0.000 0.717 613 K HN 0.434 nan 8.250 nan 0.000 0.442 614 Y N 1.283 121.512 120.300 -0.118 0.000 2.466 614 Y HA 0.021 4.571 4.550 -0.000 0.000 0.272 614 Y C -0.183 175.673 175.900 -0.072 0.000 1.169 614 Y CA -0.235 57.820 58.100 -0.075 0.000 1.285 614 Y CB -0.002 38.422 38.460 -0.060 0.000 1.078 614 Y HN 0.129 nan 8.280 nan 0.000 0.523 615 D N 0.136 120.538 120.400 0.002 0.000 2.800 615 D HA -0.210 4.429 4.640 -0.000 0.000 0.232 615 D C -0.125 176.175 176.300 -0.000 0.000 1.137 615 D CA 0.543 54.534 54.000 -0.014 0.000 0.718 615 D CB -1.319 39.465 40.800 -0.027 0.000 1.084 615 D HN 0.326 nan 8.370 nan 0.000 0.432 616 L N 0.225 121.458 121.223 0.018 0.000 2.476 616 L HA 0.138 4.478 4.340 -0.000 0.000 0.255 616 L C 1.805 178.664 176.870 -0.018 0.000 1.218 616 L CA -0.099 54.737 54.840 -0.007 0.000 0.819 616 L CB 0.364 42.425 42.059 0.004 0.000 1.119 616 L HN 0.142 nan 8.230 nan 0.000 0.485 617 S N -0.112 115.565 115.700 -0.039 0.000 2.598 617 S HA 0.002 4.472 4.470 -0.000 0.000 0.256 617 S C 0.873 175.468 174.600 -0.009 0.000 1.350 617 S CA -0.419 57.761 58.200 -0.033 0.000 0.984 617 S CB 0.651 63.818 63.200 -0.055 0.000 0.930 617 S HN 0.579 nan 8.310 nan 0.000 0.577 618 E N 0.667 120.865 120.200 -0.003 0.000 2.338 618 E HA -0.014 4.336 4.350 -0.000 0.000 0.197 618 E C 1.340 177.952 176.600 0.020 0.000 1.007 618 E CA 0.963 57.370 56.400 0.013 0.000 0.849 618 E CB -0.258 29.449 29.700 0.012 0.000 0.774 618 E HN 0.681 nan 8.360 nan 0.000 0.506 619 K N 0.517 120.921 120.400 0.007 0.000 2.444 619 K HA 0.216 4.536 4.320 -0.000 0.000 0.193 619 K C 0.611 177.224 176.600 0.022 0.000 1.024 619 K CA -0.067 56.229 56.287 0.016 0.000 1.077 619 K CB 0.561 33.061 32.500 -0.000 0.000 0.833 619 K HN -0.047 nan 8.250 nan 0.000 0.517 620 A N 1.501 124.333 122.820 0.021 0.000 2.386 620 A HA 0.183 4.503 4.320 -0.000 0.000 0.248 620 A C -0.183 177.461 177.584 0.100 0.000 1.082 620 A CA 0.097 52.152 52.037 0.030 0.000 0.789 620 A CB 0.412 19.423 19.000 0.019 0.000 1.025 620 A HN 0.145 nan 8.150 nan 0.000 0.490 621 D N -1.615 118.873 120.400 0.147 0.000 2.768 621 D HA 0.698 5.338 4.640 -0.000 0.000 0.327 621 D C -0.376 176.138 176.300 0.357 0.000 1.302 621 D CA 0.761 54.922 54.000 0.268 0.000 0.897 621 D CB 1.755 42.772 40.800 0.362 0.000 1.420 621 D HN 1.008 nan 8.370 nan 0.000 0.494 622 G N -0.460 108.589 108.800 0.414 0.000 2.623 622 G HA2 0.602 4.562 3.960 -0.000 0.000 0.290 622 G HA3 0.602 4.562 3.960 -0.000 0.000 0.290 622 G C -1.773 173.282 174.900 0.257 0.000 1.437 622 G CA -0.476 44.853 45.100 0.382 0.000 0.798 622 G HN 0.518 nan 8.290 nan 0.000 0.488 623 I N -0.656 120.039 120.570 0.208 0.000 2.752 623 I HA 0.637 4.807 4.170 -0.000 0.000 0.295 623 I C -1.280 174.953 176.117 0.194 0.000 1.219 623 I CA -1.058 60.328 61.300 0.144 0.000 1.030 623 I CB 1.861 39.827 38.000 -0.057 0.000 1.259 623 I HN 0.374 nan 8.210 nan 0.000 0.423 624 F N 4.657 124.674 119.950 0.111 0.000 2.429 624 F HA 0.425 4.951 4.527 -0.000 0.000 0.348 624 F C 0.984 176.849 175.800 0.108 0.000 1.109 624 F CA 0.290 58.375 58.000 0.142 0.000 1.232 624 F CB 1.449 40.543 39.000 0.157 0.000 1.157 624 F HN 0.509 nan 8.300 nan 0.000 0.564 625 T N -2.217 112.447 114.554 0.184 0.000 2.773 625 T HA 0.324 4.673 4.350 -0.000 0.000 0.278 625 T C 0.827 175.631 174.700 0.173 0.000 1.011 625 T CA -0.047 62.140 62.100 0.145 0.000 1.014 625 T CB 1.118 70.037 68.868 0.085 0.000 1.293 625 T HN 0.431 nan 8.240 nan 0.000 0.554 626 S N -0.972 114.813 115.700 0.143 0.000 2.489 626 S HA 0.505 4.975 4.470 -0.000 0.000 0.228 626 S C 1.203 175.934 174.600 0.219 0.000 0.995 626 S CA 0.385 58.681 58.200 0.160 0.000 0.934 626 S CB -0.856 62.408 63.200 0.107 0.000 0.771 626 S HN 1.765 nan 8.310 nan 0.000 0.522 627 G N -0.585 108.321 108.800 0.176 0.000 2.352 627 G HA2 0.385 4.345 3.960 -0.000 0.000 0.283 627 G HA3 0.385 4.345 3.960 -0.000 0.000 0.283 627 G C 0.415 175.343 174.900 0.047 0.000 1.308 627 G CA -0.207 45.011 45.100 0.196 0.000 0.892 627 G HN 0.442 nan 8.290 nan 0.000 0.504 628 G N -0.894 107.900 108.800 -0.010 0.000 2.432 628 G HA2 0.089 4.049 3.960 -0.000 0.000 0.219 628 G HA3 0.089 4.049 3.960 -0.000 0.000 0.219 628 G C 1.701 176.592 174.900 -0.015 0.000 1.135 628 G CA 2.586 47.645 45.100 -0.068 0.000 0.767 628 G HN 0.908 nan 8.290 nan 0.000 0.550 629 T N 0.213 114.786 114.554 0.032 0.000 2.674 629 T HA -0.155 4.195 4.350 -0.000 0.000 0.265 629 T C 2.293 177.091 174.700 0.164 0.000 1.039 629 T CA 1.605 63.772 62.100 0.112 0.000 1.150 629 T CB -0.226 68.761 68.868 0.198 0.000 0.864 629 T HN 0.437 nan 8.240 nan 0.000 0.427 630 Q N 0.523 120.406 119.800 0.139 0.000 2.119 630 Q HA -0.086 4.254 4.340 -0.000 0.000 0.201 630 Q C 2.370 178.430 176.000 0.099 0.000 0.972 630 Q CA 1.337 57.215 55.803 0.125 0.000 0.847 630 Q CB -0.098 28.696 28.738 0.093 0.000 0.903 630 Q HN 0.389 nan 8.270 nan 0.000 0.433 631 S N 0.998 116.742 115.700 0.074 0.000 2.368 631 S HA -0.110 4.359 4.470 -0.000 0.000 0.225 631 S C 1.579 176.217 174.600 0.063 0.000 1.030 631 S CA 1.195 59.439 58.200 0.073 0.000 0.999 631 S CB -0.304 62.917 63.200 0.034 0.000 0.844 631 S HN 0.461 nan 8.310 nan 0.000 0.459 632 N N 1.187 119.914 118.700 0.045 0.000 2.120 632 N HA -0.045 4.695 4.740 -0.000 0.000 0.188 632 N C 1.129 176.552 175.510 -0.146 0.000 1.024 632 N CA 0.752 53.758 53.050 -0.074 0.000 0.852 632 N CB -0.643 37.846 38.487 0.003 0.000 1.003 632 N HN 0.407 nan 8.380 nan 0.000 0.424 639 A N 0.827 122.944 122.820 -1.171 0.000 1.908 639 A HA -0.230 4.089 4.320 -0.000 0.000 0.218 639 A C 2.128 179.643 177.584 -0.115 0.000 1.181 639 A CA 2.353 53.830 52.037 -0.934 0.000 0.627 639 A CB -0.580 17.897 19.000 -0.872 0.000 0.818 639 A HN 0.419 nan 8.150 nan 0.000 0.445 640 R N -0.379 120.025 120.500 -0.160 0.000 2.070 640 R HA -0.189 4.151 4.340 -0.000 0.000 0.233 640 R C 1.485 177.566 176.300 -0.365 0.000 1.137 640 R CA 2.092 57.992 56.100 -0.333 0.000 0.945 640 R CB -0.438 29.729 30.300 -0.223 0.000 0.845 640 R HN 0.437 nan 8.270 nan 0.000 0.430 641 D N -0.652 119.509 120.400 -0.398 0.000 2.144 641 D HA -0.172 4.468 4.640 -0.000 0.000 0.200 641 D C 1.316 177.110 176.300 -0.844 0.000 0.978 641 D CA 1.116 54.766 54.000 -0.584 0.000 0.833 641 D CB -0.400 40.006 40.800 -0.657 0.000 0.961 641 D HN 0.400 nan 8.370 nan 0.000 0.470 642 W N 1.018 121.728 121.300 -0.984 0.000 2.335 642 W HA -0.190 4.469 4.660 -0.001 0.000 0.311 642 W C 1.985 178.411 176.519 -0.154 0.000 1.213 642 W CA 0.987 58.036 57.345 -0.493 0.000 1.274 642 W CB -0.439 29.003 29.460 -0.030 0.000 1.148 642 W HN -0.034 nan 8.180 nan 0.000 0.498 643 I N 1.383 121.877 120.570 -0.126 0.000 2.315 643 I HA -0.109 4.061 4.170 -0.000 0.000 0.248 643 I C 2.444 178.405 176.117 -0.261 0.000 1.117 643 I CA 2.127 63.228 61.300 -0.332 0.000 1.404 643 I CB -1.058 36.892 38.000 -0.084 0.000 1.071 643 I HN 0.089 nan 8.210 nan 0.000 0.419 644 A N -0.302 122.401 122.820 -0.194 0.000 1.902 644 A HA -0.291 4.028 4.320 -0.000 0.000 0.217 644 A C 2.110 179.694 177.584 -0.000 0.000 1.181 644 A CA 2.177 54.187 52.037 -0.045 0.000 0.623 644 A CB -1.114 17.827 19.000 -0.099 0.000 0.818 644 A HN 0.557 nan 8.150 nan 0.000 0.443 645 D N -0.837 119.524 120.400 -0.066 0.000 2.144 645 D HA -0.172 4.468 4.640 -0.000 0.000 0.199 645 D C 1.956 178.226 176.300 -0.051 0.000 0.984 645 D CA 1.675 55.692 54.000 0.027 0.000 0.834 645 D CB -0.074 40.843 40.800 0.195 0.000 0.955 645 D HN 0.481 nan 8.370 nan 0.000 0.465 646 K N -0.396 119.870 120.400 -0.224 0.000 2.001 646 K HA -0.062 4.258 4.320 -0.000 0.000 0.208 646 K C 2.203 178.697 176.600 -0.176 0.000 1.048 646 K CA 0.985 57.102 56.287 -0.283 0.000 0.932 646 K CB -0.094 32.038 32.500 -0.614 0.000 0.715 646 K HN 0.182 nan 8.250 nan 0.000 0.437 647 L N -0.089 121.030 121.223 -0.173 0.000 2.072 647 L HA -0.069 4.271 4.340 -0.000 0.000 0.205 647 L C 1.577 178.391 176.870 -0.093 0.000 1.079 647 L CA 1.407 56.145 54.840 -0.170 0.000 0.752 647 L CB -0.022 41.865 42.059 -0.286 0.000 0.906 647 L HN 0.316 nan 8.230 nan 0.000 0.436 648 S N -2.121 113.588 115.700 0.016 0.000 3.082 648 S HA 0.255 4.725 4.470 -0.000 0.000 0.253 648 S C 0.991 175.655 174.600 0.107 0.000 0.961 648 S CA 0.129 58.377 58.200 0.080 0.000 1.129 648 S CB 0.628 63.939 63.200 0.184 0.000 1.083 648 S HN 0.388 nan 8.310 nan 0.000 0.605 649 G N 2.544 111.389 108.800 0.074 0.000 2.390 649 G HA2 -0.290 3.669 3.960 -0.000 0.000 0.299 649 G HA3 -0.290 3.669 3.960 -0.000 0.000 0.299 649 G C -0.126 174.840 174.900 0.110 0.000 1.002 649 G CA 0.731 45.878 45.100 0.079 0.000 0.979 649 G HN 0.873 nan 8.290 nan 0.000 0.513 650 H N 0.150 119.238 119.070 0.029 0.000 2.519 650 H HA 0.550 5.105 4.556 -0.000 0.000 0.316 650 H C 0.038 175.370 175.328 0.006 0.000 1.065 650 H CA 0.133 56.188 56.048 0.010 0.000 1.264 650 H CB 1.374 31.129 29.762 -0.011 0.000 1.413 650 H HN 0.132 nan 8.280 nan 0.000 0.465 651 S N 6.040 121.613 115.700 -0.211 0.000 2.416 651 S HA 0.129 4.598 4.470 -0.000 0.000 0.302 651 S C 1.733 176.284 174.600 -0.082 0.000 1.120 651 S CA -0.677 57.482 58.200 -0.068 0.000 1.067 651 S CB -0.527 62.647 63.200 -0.043 0.000 1.057 651 S HN 0.676 nan 8.310 nan 0.000 0.518 652 I N 4.168 124.789 120.570 0.085 0.000 2.226 652 I HA -0.219 3.951 4.170 -0.000 0.000 0.245 652 I C 2.762 178.901 176.117 0.036 0.000 1.100 652 I CA 1.234 62.583 61.300 0.082 0.000 1.374 652 I CB -0.298 37.706 38.000 0.008 0.000 1.057 652 I HN 0.733 nan 8.210 nan 0.000 0.413 653 Q N 1.656 121.486 119.800 0.051 0.000 2.077 653 Q HA -0.282 4.057 4.340 -0.000 0.000 0.206 653 Q C 2.085 178.098 176.000 0.022 0.000 0.989 653 Q CA 2.035 57.870 55.803 0.053 0.000 0.853 653 Q CB 0.050 28.845 28.738 0.096 0.000 0.907 653 Q HN 0.484 nan 8.270 nan 0.000 0.418 654 K N -0.448 119.950 120.400 -0.004 0.000 2.076 654 K HA 0.024 4.344 4.320 -0.000 0.000 0.204 654 K C 1.891 178.463 176.600 -0.046 0.000 1.051 654 K CA 0.861 57.130 56.287 -0.029 0.000 0.949 654 K CB 0.248 32.720 32.500 -0.046 0.000 0.726 654 K HN 0.231 nan 8.250 nan 0.000 0.443 655 L N -0.477 120.699 121.223 -0.078 0.000 2.664 655 L HA 0.236 4.576 4.340 -0.000 0.000 0.233 655 L C 0.730 177.622 176.870 0.037 0.000 1.113 655 L CA -0.145 54.657 54.840 -0.064 0.000 0.896 655 L CB 0.431 42.345 42.059 -0.241 0.000 1.163 655 L HN 0.338 nan 8.230 nan 0.000 0.497 656 G N 0.903 109.734 108.800 0.052 0.000 2.725 656 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.220 656 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.220 656 G C -0.387 174.568 174.900 0.092 0.000 1.357 656 G CA -0.807 44.324 45.100 0.052 0.000 0.866 656 G HN 0.017 nan 8.290 nan 0.000 0.548 657 L N 2.233 123.433 121.223 -0.038 0.000 2.485 657 L HA 0.279 4.619 4.340 -0.000 0.000 0.275 657 L C -0.907 175.751 176.870 -0.354 0.000 1.207 657 L CA -1.176 53.556 54.840 -0.180 0.000 0.855 657 L CB 0.134 42.085 42.059 -0.179 0.000 1.114 657 L HN 0.556 nan 8.230 nan 0.000 0.485 658 P HA 0.008 nan 4.420 nan 0.000 0.272 658 P C -0.103 176.760 177.300 -0.728 0.000 1.240 658 P CA -0.327 62.104 63.100 -1.115 0.000 0.791 658 P CB 0.849 31.548 31.700 -1.667 0.000 0.978 659 D N 0.085 120.180 120.400 -0.509 0.000 2.221 659 D HA -0.212 4.427 4.640 -0.000 0.000 0.204 659 D C 1.281 177.458 176.300 -0.204 0.000 0.982 659 D CA 1.225 55.072 54.000 -0.256 0.000 0.857 659 D CB -0.512 40.230 40.800 -0.097 0.000 0.934 659 D HN 0.514 nan 8.370 nan 0.000 0.475 660 Y N -2.172 118.047 120.300 -0.135 0.000 2.462 660 Y HA 0.545 5.095 4.550 -0.000 0.000 0.293 660 Y C 1.792 177.620 175.900 -0.119 0.000 1.195 660 Y CA -0.020 58.015 58.100 -0.109 0.000 1.276 660 Y CB -0.916 37.481 38.460 -0.104 0.000 1.082 660 Y HN -0.064 nan 8.280 nan 0.000 0.514 661 A N 1.728 124.358 122.820 -0.317 0.000 1.940 661 A HA -0.274 4.046 4.320 -0.000 0.000 0.219 661 A C 2.039 179.578 177.584 -0.075 0.000 1.176 661 A CA 1.923 53.824 52.037 -0.225 0.000 0.631 661 A CB -0.870 17.968 19.000 -0.269 0.000 0.814 661 A HN 0.680 nan 8.150 nan 0.000 0.446 662 D N -0.083 120.288 120.400 -0.048 0.000 2.309 662 D HA -0.172 4.467 4.640 -0.000 0.000 0.212 662 D C 1.370 177.685 176.300 0.024 0.000 0.968 662 D CA 1.359 55.353 54.000 -0.010 0.000 0.882 662 D CB -0.309 40.484 40.800 -0.012 0.000 0.918 662 D HN 0.545 nan 8.370 nan 0.000 0.503 663 K N -0.279 120.150 120.400 0.049 0.000 2.361 663 K HA 0.211 4.531 4.320 -0.000 0.000 0.194 663 K C 0.740 177.398 176.600 0.098 0.000 1.032 663 K CA -0.244 56.083 56.287 0.067 0.000 1.048 663 K CB 0.569 33.113 32.500 0.073 0.000 0.842 663 K HN 0.131 nan 8.250 nan 0.000 0.526 664 L N 2.287 123.576 121.223 0.110 0.000 2.456 664 L HA 0.082 4.421 4.340 -0.000 0.000 0.272 664 L C 0.293 177.334 176.870 0.285 0.000 1.189 664 L CA 0.100 55.065 54.840 0.208 0.000 0.846 664 L CB 0.219 42.300 42.059 0.038 0.000 1.111 664 L HN 0.016 nan 8.230 nan 0.000 0.475 665 R N 3.690 124.414 120.500 0.374 0.000 2.604 665 R HA 0.570 4.909 4.340 -0.000 0.000 0.281 665 R C -1.118 175.127 176.300 -0.092 0.000 1.020 665 R CA -0.693 55.490 56.100 0.137 0.000 0.899 665 R CB 2.007 32.341 30.300 0.057 0.000 1.205 665 R HN 0.497 nan 8.270 nan 0.000 0.450 666 I N 2.306 122.760 120.570 -0.193 0.000 2.359 666 I HA 0.337 4.507 4.170 -0.000 0.000 0.294 666 I C 0.128 176.140 176.117 -0.175 0.000 0.987 666 I CA -1.009 60.078 61.300 -0.356 0.000 1.225 666 I CB 1.883 39.699 38.000 -0.307 0.000 1.366 666 I HN 0.067 nan 8.210 nan 0.000 0.466 667 V N 5.661 125.480 119.914 -0.159 0.000 2.481 667 V HA 0.536 4.656 4.120 -0.000 0.000 0.286 667 V C 0.083 176.140 176.094 -0.060 0.000 1.042 667 V CA -0.394 61.855 62.300 -0.084 0.000 0.928 667 V CB 1.203 32.986 31.823 -0.066 0.000 0.986 667 V HN 1.048 nan 8.190 nan 0.000 0.462 668 C N 1.782 121.059 119.300 -0.038 0.000 3.332 668 C HA 0.821 5.281 4.460 -0.000 0.000 0.329 668 C C 0.004 174.988 174.990 -0.011 0.000 1.434 668 C CA -0.790 58.216 59.018 -0.019 0.000 1.314 668 C CB 1.282 29.009 27.740 -0.021 0.000 1.664 668 C HN 0.823 nan 8.230 nan 0.000 0.457 669 S N 0.236 115.933 115.700 -0.004 0.000 2.601 669 S HA 0.306 4.775 4.470 -0.000 0.000 0.271 669 S C 1.017 175.615 174.600 -0.004 0.000 1.305 669 S CA -0.025 58.172 58.200 -0.005 0.000 1.022 669 S CB 1.029 64.226 63.200 -0.005 0.000 0.940 669 S HN 0.926 nan 8.310 nan 0.000 0.525 670 K N 1.808 122.204 120.400 -0.007 0.000 2.362 670 K HA 0.006 4.326 4.320 -0.000 0.000 0.202 670 K C 0.871 177.479 176.600 0.013 0.000 1.045 670 K CA 1.575 57.861 56.287 -0.001 0.000 0.936 670 K CB 0.029 32.526 32.500 -0.006 0.000 0.747 670 K HN 0.415 nan 8.250 nan 0.000 0.467 671 K N 0.398 120.807 120.400 0.015 0.000 2.399 671 K HA 0.133 4.453 4.320 -0.000 0.000 0.204 671 K C -0.016 176.615 176.600 0.052 0.000 1.023 671 K CA 0.135 56.446 56.287 0.041 0.000 1.127 671 K CB 0.656 33.177 32.500 0.034 0.000 0.856 671 K HN 0.210 nan 8.250 nan 0.000 0.514 672 S N -0.046 115.675 115.700 0.034 0.000 2.608 672 S HA 0.122 4.591 4.470 -0.000 0.000 0.261 672 S C 0.163 174.788 174.600 0.042 0.000 1.314 672 S CA -0.469 57.755 58.200 0.041 0.000 0.992 672 S CB 0.755 63.970 63.200 0.024 0.000 0.935 672 S HN 0.358 nan 8.310 nan 0.000 0.564 673 H N 0.406 119.428 119.070 -0.080 0.000 2.652 673 H HA 0.307 4.862 4.556 -0.000 0.000 0.349 673 H C 0.874 176.057 175.328 -0.241 0.000 1.099 673 H CA -0.430 55.486 56.048 -0.220 0.000 1.417 673 H CB 0.312 29.880 29.762 -0.324 0.000 1.457 673 H HN 0.641 nan 8.280 nan 0.000 0.568 674 F N 0.747 120.419 119.950 -0.462 0.000 2.494 674 F HA -0.077 4.450 4.527 -0.001 0.000 0.298 674 F C 2.039 177.716 175.800 -0.204 0.000 1.106 674 F CA 0.606 58.429 58.000 -0.294 0.000 1.452 674 F CB -1.490 37.313 39.000 -0.329 0.000 1.085 674 F HN 0.514 nan 8.300 nan 0.000 0.569 675 T N -2.644 111.735 114.554 -0.292 0.000 3.077 675 T HA -0.070 4.280 4.350 -0.000 0.000 0.269 675 T C 1.705 176.322 174.700 -0.138 0.000 1.146 675 T CA 0.996 63.033 62.100 -0.104 0.000 1.091 675 T CB -1.024 67.858 68.868 0.023 0.000 0.892 675 T HN 0.270 nan 8.240 nan 0.000 0.533 676 V N 1.400 121.256 119.914 -0.096 0.000 2.283 676 V HA -0.135 3.985 4.120 -0.000 0.000 0.243 676 V C 2.846 178.864 176.094 -0.128 0.000 1.039 676 V CA 1.675 63.919 62.300 -0.094 0.000 1.016 676 V CB -0.748 31.043 31.823 -0.053 0.000 0.650 676 V HN 0.375 nan 8.190 nan 0.000 0.449 677 Q N 0.353 120.087 119.800 -0.110 0.000 2.084 677 Q HA -0.192 4.148 4.340 -0.000 0.000 0.202 677 Q C 2.157 178.010 176.000 -0.245 0.000 0.978 677 Q CA 1.647 57.374 55.803 -0.127 0.000 0.844 677 Q CB -0.408 28.283 28.738 -0.078 0.000 0.898 677 Q HN 0.586 nan 8.270 nan 0.000 0.426 678 K N -0.174 120.009 120.400 -0.361 0.000 2.057 678 K HA -0.033 4.287 4.320 -0.000 0.000 0.206 678 K C 2.288 178.210 176.600 -1.129 0.000 1.050 678 K CA 1.351 57.146 56.287 -0.820 0.000 0.935 678 K CB -0.114 31.823 32.500 -0.938 0.000 0.715 678 K HN 0.028 nan 8.250 nan 0.000 0.439 679 S N 1.096 116.407 115.700 -0.648 0.000 2.356 679 S HA -0.169 4.301 4.470 -0.000 0.000 0.223 679 S C 2.199 176.717 174.600 -0.136 0.000 1.032 679 S CA 1.300 59.332 58.200 -0.280 0.000 1.005 679 S CB -0.306 62.817 63.200 -0.128 0.000 0.867 679 S HN 0.447 nan 8.310 nan 0.000 0.449 680 A N 1.495 124.226 122.820 -0.147 0.000 1.902 680 A HA -0.094 4.226 4.320 -0.000 0.000 0.217 680 A C 2.349 179.907 177.584 -0.043 0.000 1.181 680 A CA 1.919 53.921 52.037 -0.057 0.000 0.623 680 A CB -1.008 17.965 19.000 -0.046 0.000 0.818 680 A HN 0.440 nan 8.150 nan 0.000 0.443 681 S N -0.974 114.655 115.700 -0.118 0.000 2.359 681 S HA -0.138 4.332 4.470 -0.000 0.000 0.223 681 S C 0.815 175.485 174.600 0.118 0.000 1.039 681 S CA 0.846 59.018 58.200 -0.047 0.000 1.042 681 S CB -0.465 62.663 63.200 -0.120 0.000 0.915 681 S HN 0.649 nan 8.310 nan 0.000 0.439 685 L N 0.801 122.031 121.223 0.012 0.000 2.307 685 L HA 0.458 4.797 4.340 -0.000 0.000 0.211 685 L C 1.536 178.412 176.870 0.009 0.000 1.099 685 L CA 0.931 55.777 54.840 0.010 0.000 0.816 685 L CB -0.295 41.791 42.059 0.044 0.000 0.952 685 L HN 0.477 nan 8.230 nan 0.000 0.455 686 G N 0.520 109.322 108.800 0.003 0.000 2.730 686 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.686 686 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.686 686 G C 0.184 175.072 174.900 -0.021 0.000 1.343 686 G CA -0.186 44.909 45.100 -0.009 0.000 0.826 686 G HN 0.273 nan 8.290 nan 0.000 0.582 687 E N 0.476 120.656 120.200 -0.033 0.000 2.209 687 E HA -0.233 4.117 4.350 -0.000 0.000 0.196 687 E C 2.400 178.986 176.600 -0.024 0.000 0.993 687 E CA 1.681 58.057 56.400 -0.040 0.000 0.819 687 E CB -0.129 29.544 29.700 -0.044 0.000 0.745 687 E HN 0.673 nan 8.360 nan 0.000 0.477 688 K N 0.823 121.215 120.400 -0.013 0.000 2.280 688 K HA -0.041 4.279 4.320 -0.000 0.000 0.202 688 K C 1.758 178.361 176.600 0.004 0.000 1.047 688 K CA 1.375 57.658 56.287 -0.005 0.000 0.942 688 K CB -0.106 32.393 32.500 -0.003 0.000 0.739 688 K HN 0.044 nan 8.250 nan 0.000 0.457 689 A N 0.917 123.744 122.820 0.012 0.000 2.206 689 A HA 0.171 4.491 4.320 -0.000 0.000 0.211 689 A C 0.675 178.268 177.584 0.016 0.000 1.158 689 A CA 0.199 52.259 52.037 0.038 0.000 0.761 689 A CB -0.203 18.842 19.000 0.075 0.000 0.801 689 A HN 0.118 nan 8.150 nan 0.000 0.473 693 V N 1.650 121.557 119.914 -0.013 0.000 2.555 693 V HA 0.463 4.583 4.120 -0.000 0.000 0.302 693 V C -0.272 175.813 176.094 -0.015 0.000 1.038 693 V CA -0.891 61.402 62.300 -0.011 0.000 0.887 693 V CB 1.763 33.584 31.823 -0.003 0.000 0.991 693 V HN 1.026 nan 8.190 nan 0.000 0.434 694 D N 2.923 123.312 120.400 -0.017 0.000 2.548 694 D HA 0.258 4.897 4.640 -0.000 0.000 0.231 694 D C 0.324 176.605 176.300 -0.032 0.000 1.142 694 D CA 0.532 54.519 54.000 -0.023 0.000 0.866 694 D CB 1.030 41.816 40.800 -0.023 0.000 1.190 694 D HN 0.781 nan 8.370 nan 0.000 0.469 695 A N 2.922 125.719 122.820 -0.038 0.000 2.293 695 A HA 0.349 4.669 4.320 -0.000 0.000 0.302 695 A C 0.458 178.002 177.584 -0.067 0.000 1.119 695 A CA -0.632 51.371 52.037 -0.056 0.000 0.823 695 A CB 0.394 19.354 19.000 -0.066 0.000 1.097 695 A HN 0.594 nan 8.150 nan 0.000 0.491 696 N N 0.104 118.755 118.700 -0.082 0.000 2.288 696 N HA 0.329 5.069 4.740 -0.000 0.000 0.237 696 N C 1.227 176.669 175.510 -0.113 0.000 1.311 696 N CA 0.399 53.398 53.050 -0.086 0.000 0.909 696 N CB 0.393 38.829 38.487 -0.086 0.000 1.167 696 N HN 0.726 nan 8.380 nan 0.000 0.476 697 A N 0.321 123.086 122.820 -0.092 0.000 2.067 697 A HA -0.123 4.197 4.320 -0.000 0.000 0.217 697 A C 1.140 178.637 177.584 -0.144 0.000 1.156 697 A CA 1.257 53.240 52.037 -0.090 0.000 0.683 697 A CB -0.392 18.587 19.000 -0.035 0.000 0.808 697 A HN 0.840 nan 8.150 nan 0.000 0.455 698 D N -2.259 118.055 120.400 -0.143 0.000 2.328 698 D HA 0.286 4.925 4.640 -0.000 0.000 0.226 698 D C 1.159 177.266 176.300 -0.322 0.000 1.066 698 D CA 0.844 54.759 54.000 -0.142 0.000 0.861 698 D CB -0.430 40.338 40.800 -0.053 0.000 0.912 698 D HN 0.612 nan 8.370 nan 0.000 0.521 699 G N -0.049 108.479 108.800 -0.454 0.000 2.225 699 G HA2 -0.319 3.640 3.960 -0.000 0.000 0.254 699 G HA3 -0.319 3.640 3.960 -0.000 0.000 0.254 699 G C 0.691 175.493 174.900 -0.164 0.000 0.988 699 G CA 0.664 45.516 45.100 -0.413 0.000 0.625 699 G HN 0.798 nan 8.290 nan 0.000 0.527 703 I N 0.798 121.251 120.570 -0.194 0.000 2.756 703 I HA -0.046 4.123 4.170 -0.000 0.000 0.262 703 I C 1.625 177.582 176.117 -0.267 0.000 1.225 703 I CA 1.414 62.509 61.300 -0.340 0.000 1.472 703 I CB -0.396 37.066 38.000 -0.897 0.000 1.094 703 I HN 0.322 nan 8.210 nan 0.000 0.454 704 T N -1.585 112.866 114.554 -0.172 0.000 3.055 704 T HA 0.051 4.401 4.350 -0.000 0.000 0.265 704 T C 1.586 176.272 174.700 -0.023 0.000 1.111 704 T CA 0.716 62.761 62.100 -0.091 0.000 1.118 704 T CB -0.207 68.616 68.868 -0.076 0.000 0.909 704 T HN 0.490 nan 8.240 nan 0.000 0.501 705 K N -0.225 120.164 120.400 -0.020 0.000 2.354 705 K HA 0.342 4.662 4.320 -0.000 0.000 0.194 705 K C 1.777 178.397 176.600 0.034 0.000 1.045 705 K CA -0.086 56.204 56.287 0.006 0.000 1.026 705 K CB -0.027 32.468 32.500 -0.008 0.000 0.866 705 K HN 0.111 nan 8.250 nan 0.000 0.530 706 L N 2.460 123.721 121.223 0.064 0.000 1.989 706 L HA -0.220 4.119 4.340 -0.000 0.000 0.211 706 L C 1.938 178.870 176.870 0.103 0.000 1.071 706 L CA 2.003 56.906 54.840 0.106 0.000 0.749 706 L CB -0.515 41.667 42.059 0.206 0.000 0.890 706 L HN 0.236 nan 8.230 nan 0.000 0.431 707 D N -1.267 119.231 120.400 0.164 0.000 2.144 707 D HA -0.234 4.406 4.640 -0.000 0.000 0.200 707 D C 1.897 178.235 176.300 0.064 0.000 0.978 707 D CA 0.984 55.072 54.000 0.147 0.000 0.833 707 D CB 0.270 41.208 40.800 0.230 0.000 0.961 707 D HN 0.434 nan 8.370 nan 0.000 0.470 708 E N 0.460 120.697 120.200 0.061 0.000 2.085 708 E HA -0.132 4.217 4.350 -0.000 0.000 0.194 708 E C 2.169 178.771 176.600 0.003 0.000 0.994 708 E CA 0.744 57.163 56.400 0.032 0.000 0.801 708 E CB -0.357 29.360 29.700 0.029 0.000 0.743 708 E HN 0.127 nan 8.360 nan 0.000 0.453 709 V N 0.475 120.387 119.914 -0.003 0.000 2.358 709 V HA -0.225 3.895 4.120 -0.000 0.000 0.246 709 V C 2.365 178.429 176.094 -0.050 0.000 1.047 709 V CA 1.744 64.032 62.300 -0.020 0.000 1.035 709 V CB -0.396 31.418 31.823 -0.015 0.000 0.658 709 V HN 0.293 nan 8.190 nan 0.000 0.452 710 I N 0.349 120.864 120.570 -0.092 0.000 2.202 710 I HA -0.205 3.965 4.170 -0.000 0.000 0.242 710 I C 2.659 178.676 176.117 -0.167 0.000 1.091 710 I CA 1.482 62.666 61.300 -0.194 0.000 1.368 710 I CB -0.586 37.166 38.000 -0.414 0.000 1.058 710 I HN 0.275 nan 8.210 nan 0.000 0.410 711 A N 0.110 122.868 122.820 -0.103 0.000 1.902 711 A HA -0.278 4.042 4.320 -0.000 0.000 0.217 711 A C 2.238 179.815 177.584 -0.012 0.000 1.181 711 A CA 1.873 53.896 52.037 -0.023 0.000 0.623 711 A CB -0.602 18.419 19.000 0.036 0.000 0.818 711 A HN 0.408 nan 8.150 nan 0.000 0.443 712 Q N 0.023 119.815 119.800 -0.014 0.000 2.124 712 Q HA -0.023 4.317 4.340 -0.000 0.000 0.202 712 Q C 2.018 178.011 176.000 -0.011 0.000 0.977 712 Q CA 2.120 57.918 55.803 -0.008 0.000 0.850 712 Q CB -0.652 28.082 28.738 -0.006 0.000 0.901 712 Q HN 0.545 nan 8.270 nan 0.000 0.429 713 A N 0.468 123.275 122.820 -0.022 0.000 1.877 713 A HA -0.219 4.101 4.320 -0.000 0.000 0.216 713 A C 2.045 179.623 177.584 -0.010 0.000 1.186 713 A CA 1.854 53.881 52.037 -0.017 0.000 0.620 713 A CB -0.503 18.483 19.000 -0.025 0.000 0.822 713 A HN 0.403 nan 8.150 nan 0.000 0.443 714 K N -0.299 120.090 120.400 -0.017 0.000 2.057 714 K HA -0.043 4.277 4.320 -0.000 0.000 0.207 714 K C 2.229 178.830 176.600 0.002 0.000 1.049 714 K CA 1.120 57.405 56.287 -0.004 0.000 0.931 714 K CB -0.347 32.154 32.500 0.003 0.000 0.714 714 K HN 0.446 nan 8.250 nan 0.000 0.440 715 A N 1.468 124.289 122.820 0.003 0.000 1.978 715 A HA -0.222 4.098 4.320 -0.000 0.000 0.220 715 A C 1.599 179.184 177.584 0.003 0.000 1.170 715 A CA 1.617 53.657 52.037 0.005 0.000 0.636 715 A CB -0.353 18.651 19.000 0.006 0.000 0.810 715 A HN 0.332 nan 8.150 nan 0.000 0.448 716 E N -1.624 118.577 120.200 0.001 0.000 2.502 716 E HA 0.267 4.617 4.350 -0.000 0.000 0.194 716 E C 1.113 177.715 176.600 0.003 0.000 1.062 716 E CA 0.262 56.663 56.400 0.002 0.000 0.867 716 E CB -0.143 29.558 29.700 0.002 0.000 0.888 716 E HN 0.756 nan 8.360 nan 0.000 0.510 717 G N 1.091 109.893 108.800 0.002 0.000 2.159 717 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.256 717 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.256 717 G C 0.233 175.137 174.900 0.006 0.000 0.977 717 G CA 0.006 45.106 45.100 0.001 0.000 0.652 717 G HN 0.158 nan 8.290 nan 0.000 0.531 718 L N -0.184 121.046 121.223 0.011 0.000 2.456 718 L HA 0.643 4.982 4.340 -0.000 0.000 0.257 718 L C 0.895 177.783 176.870 0.030 0.000 1.162 718 L CA -0.622 54.233 54.840 0.025 0.000 0.808 718 L CB 0.938 43.011 42.059 0.024 0.000 1.136 718 L HN 0.056 nan 8.230 nan 0.000 0.466 719 I N 2.049 122.658 120.570 0.064 0.000 2.595 719 I HA 0.244 4.414 4.170 -0.000 0.000 0.275 719 I C -2.357 173.861 176.117 0.168 0.000 1.092 719 I CA -1.688 59.663 61.300 0.085 0.000 1.145 719 I CB 1.289 39.325 38.000 0.062 0.000 1.276 719 I HN 0.229 nan 8.210 nan 0.000 0.497 720 P HA 0.027 nan 4.420 nan 0.000 0.265 720 P C 0.132 177.537 177.300 0.176 0.000 1.222 720 P CA 0.217 63.364 63.100 0.078 0.000 0.767 720 P CB 0.097 31.781 31.700 -0.026 0.000 0.801 721 F N 2.343 122.338 119.950 0.075 0.000 2.752 721 F HA 0.713 5.239 4.527 -0.000 0.000 0.310 721 F C 0.141 176.054 175.800 0.188 0.000 1.097 721 F CA -0.459 57.634 58.000 0.156 0.000 1.238 721 F CB 0.341 39.427 39.000 0.143 0.000 1.061 721 F HN 0.232 nan 8.300 nan 0.000 0.591 722 A N 1.140 123.636 122.820 -0.539 0.000 2.549 722 A HA 0.745 5.064 4.320 -0.000 0.000 0.297 722 A C -1.755 175.674 177.584 -0.258 0.000 1.061 722 A CA -0.623 51.166 52.037 -0.414 0.000 0.690 722 A CB 1.529 20.073 19.000 -0.761 0.000 1.287 722 A HN 0.401 nan 8.150 nan 0.000 0.402 723 I N 1.521 122.038 120.570 -0.089 0.000 2.569 723 I HA 0.597 4.767 4.170 -0.000 0.000 0.290 723 I C -1.513 174.612 176.117 0.015 0.000 1.088 723 I CA -0.829 60.443 61.300 -0.046 0.000 1.047 723 I CB 2.066 40.060 38.000 -0.011 0.000 1.237 723 I HN 0.396 nan 8.210 nan 0.000 0.421 724 V N 6.703 126.625 119.914 0.013 0.000 2.347 724 V HA 0.568 4.688 4.120 -0.000 0.000 0.280 724 V C 0.624 176.733 176.094 0.025 0.000 1.021 724 V CA -0.432 61.902 62.300 0.057 0.000 0.847 724 V CB 1.148 33.014 31.823 0.071 0.000 0.990 724 V HN 0.854 nan 8.190 nan 0.000 0.444 725 G N 2.746 111.549 108.800 0.005 0.000 2.322 725 G HA2 0.502 4.462 3.960 -0.000 0.000 0.309 725 G HA3 0.502 4.462 3.960 -0.000 0.000 0.309 725 G C -0.133 174.748 174.900 -0.033 0.000 1.121 725 G CA -0.252 44.841 45.100 -0.012 0.000 0.886 725 G HN 0.581 nan 8.290 nan 0.000 0.447 726 T N 1.676 116.220 114.554 -0.017 0.000 2.733 726 T HA 0.478 4.828 4.350 -0.000 0.000 0.294 726 T C 0.542 175.222 174.700 -0.033 0.000 0.956 726 T CA -0.068 62.020 62.100 -0.020 0.000 0.987 726 T CB 1.502 70.376 68.868 0.010 0.000 0.920 726 T HN 0.695 nan 8.240 nan 0.000 0.470 727 A N 3.131 125.918 122.820 -0.054 0.000 3.016 727 A HA 0.655 4.975 4.320 -0.000 0.000 0.303 727 A C 1.004 178.532 177.584 -0.094 0.000 1.507 727 A CA -0.273 51.722 52.037 -0.070 0.000 1.196 727 A CB -0.857 18.099 19.000 -0.072 0.000 1.169 727 A HN 1.333 nan 8.150 nan 0.000 0.544 728 G N 1.799 110.544 108.800 -0.093 0.000 2.740 728 G HA2 0.117 4.077 3.960 -0.000 0.000 0.267 728 G HA3 0.117 4.077 3.960 -0.000 0.000 0.267 728 G C -0.119 174.843 174.900 0.104 0.000 0.971 728 G CA -0.363 44.657 45.100 -0.133 0.000 1.288 728 G HN 1.572 nan 8.290 nan 0.000 0.615 729 T N -0.494 114.126 114.554 0.111 0.000 2.932 729 T HA 0.439 4.789 4.350 -0.000 0.000 0.312 729 T C 1.795 176.660 174.700 0.275 0.000 1.071 729 T CA 0.816 63.018 62.100 0.172 0.000 1.128 729 T CB 1.358 70.311 68.868 0.142 0.000 0.984 729 T HN 0.457 nan 8.240 nan 0.000 0.549 730 T N 1.633 116.327 114.554 0.233 0.000 2.720 730 T HA -0.121 4.229 4.350 -0.000 0.000 0.268 730 T C 1.381 176.192 174.700 0.185 0.000 1.037 730 T CA 1.698 63.921 62.100 0.205 0.000 1.144 730 T CB -0.316 68.678 68.868 0.210 0.000 0.864 730 T HN 0.694 nan 8.240 nan 0.000 0.444 731 D N -0.308 120.201 120.400 0.181 0.000 2.197 731 D HA 0.038 4.678 4.640 -0.000 0.000 0.212 731 D C 1.934 178.243 176.300 0.014 0.000 0.963 731 D CA 0.989 55.040 54.000 0.085 0.000 0.864 731 D CB -0.244 40.575 40.800 0.031 0.000 1.009 731 D HN 0.455 nan 8.370 nan 0.000 0.479 732 H N -0.622 118.515 119.070 0.110 0.000 2.547 732 H HA 0.296 4.851 4.556 -0.000 0.000 0.272 732 H C 1.365 176.749 175.328 0.094 0.000 0.971 732 H CA 0.834 56.934 56.048 0.086 0.000 1.245 732 H CB 0.397 30.187 29.762 0.048 0.000 1.440 732 H HN 0.183 nan 8.280 nan 0.000 0.540 733 G N 0.376 109.326 108.800 0.251 0.000 2.160 733 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.251 733 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.251 733 G C 0.450 175.333 174.900 -0.030 0.000 1.008 733 G CA 0.202 45.351 45.100 0.081 0.000 0.724 733 G HN 0.709 nan 8.290 nan 0.000 0.514 734 A N -0.471 122.378 122.820 0.050 0.000 2.498 734 A HA 0.617 4.936 4.320 -0.000 0.000 0.239 734 A C 0.525 178.083 177.584 -0.042 0.000 1.068 734 A CA 0.359 52.393 52.037 -0.005 0.000 0.766 734 A CB 0.295 19.287 19.000 -0.013 0.000 1.003 734 A HN 0.875 nan 8.150 nan 0.000 0.497 735 I N 2.561 123.098 120.570 -0.055 0.000 2.355 735 I HA 0.175 4.345 4.170 -0.000 0.000 0.288 735 I C -0.518 175.577 176.117 -0.036 0.000 0.999 735 I CA -0.736 60.532 61.300 -0.055 0.000 1.163 735 I CB 1.348 39.307 38.000 -0.067 0.000 1.316 735 I HN 0.583 nan 8.210 nan 0.000 0.454 736 D N 4.439 124.823 120.400 -0.027 0.000 2.390 736 D HA -0.069 4.571 4.640 -0.000 0.000 0.236 736 D C 0.081 176.379 176.300 -0.003 0.000 1.189 736 D CA 0.312 54.303 54.000 -0.015 0.000 0.887 736 D CB 0.725 41.523 40.800 -0.003 0.000 1.198 736 D HN 0.435 nan 8.370 nan 0.000 0.444 737 D N 1.497 121.904 120.400 0.011 0.000 2.455 737 D HA 0.006 4.646 4.640 -0.000 0.000 0.234 737 D C 1.189 177.539 176.300 0.084 0.000 1.224 737 D CA -0.056 53.969 54.000 0.041 0.000 0.999 737 D CB -0.034 40.783 40.800 0.027 0.000 1.072 737 D HN 0.283 nan 8.370 nan 0.000 0.514 738 L N 2.073 123.323 121.223 0.045 0.000 2.093 738 L HA -0.127 4.212 4.340 -0.000 0.000 0.208 738 L C 1.812 178.706 176.870 0.040 0.000 1.085 738 L CA 0.736 55.594 54.840 0.030 0.000 0.755 738 L CB -0.178 41.880 42.059 -0.002 0.000 0.904 738 L HN 0.278 nan 8.230 nan 0.000 0.435 739 D N -0.047 120.385 120.400 0.054 0.000 2.117 739 D HA -0.212 4.428 4.640 -0.000 0.000 0.198 739 D C 1.959 178.300 176.300 0.069 0.000 0.982 739 D CA 1.085 55.112 54.000 0.046 0.000 0.828 739 D CB -0.037 40.792 40.800 0.047 0.000 0.967 739 D HN 0.180 nan 8.370 nan 0.000 0.464 740 F N 0.657 120.601 119.950 -0.010 0.000 2.186 740 F HA -0.044 4.483 4.527 -0.000 0.000 0.299 740 F C 2.096 177.900 175.800 0.006 0.000 1.090 740 F CA 1.038 59.037 58.000 -0.002 0.000 1.307 740 F CB -0.075 38.924 39.000 -0.002 0.000 1.019 740 F HN -0.055 nan 8.300 nan 0.000 0.489 741 I N -0.100 120.561 120.570 0.152 0.000 2.315 741 I HA -0.288 3.881 4.170 -0.000 0.000 0.248 741 I C 2.642 178.746 176.117 -0.022 0.000 1.117 741 I CA 1.084 62.425 61.300 0.069 0.000 1.404 741 I CB -0.854 37.196 38.000 0.084 0.000 1.071 741 I HN 0.210 nan 8.210 nan 0.000 0.419 742 A N 0.122 122.925 122.820 -0.029 0.000 1.902 742 A HA -0.141 4.179 4.320 -0.000 0.000 0.217 742 A C 1.163 178.697 177.584 -0.083 0.000 1.181 742 A CA 1.182 53.190 52.037 -0.048 0.000 0.623 742 A CB -0.514 18.455 19.000 -0.051 0.000 0.818 742 A HN 0.288 nan 8.150 nan 0.000 0.443 746 V N 1.835 121.760 119.914 0.018 0.000 2.270 746 V HA -0.223 3.897 4.120 -0.000 0.000 0.245 746 V C 2.471 178.550 176.094 -0.024 0.000 1.043 746 V CA 2.630 64.936 62.300 0.010 0.000 1.014 746 V CB -0.577 31.226 31.823 -0.034 0.000 0.645 746 V HN 0.664 nan 8.190 nan 0.000 0.447 747 K N -0.859 119.473 120.400 -0.114 0.000 2.103 747 K HA -0.209 4.111 4.320 -0.000 0.000 0.207 747 K C 1.787 178.204 176.600 -0.305 0.000 1.048 747 K CA 1.726 57.856 56.287 -0.263 0.000 0.930 747 K CB -0.098 32.148 32.500 -0.423 0.000 0.716 747 K HN 0.572 nan 8.250 nan 0.000 0.444 748 H N 0.436 119.518 119.070 0.020 0.000 2.672 748 H HA 0.152 4.708 4.556 -0.000 0.000 0.277 748 H C -0.369 175.012 175.328 0.089 0.000 1.074 748 H CA -0.051 56.022 56.048 0.042 0.000 1.173 748 H CB 0.267 30.048 29.762 0.032 0.000 1.558 748 H HN 0.266 nan 8.280 nan 0.000 0.539 754 V N 4.637 124.217 119.914 -0.556 0.000 2.370 754 V HA 0.178 4.298 4.120 -0.000 0.000 0.279 754 V C 0.036 175.784 176.094 -0.577 0.000 1.029 754 V CA -0.497 61.551 62.300 -0.420 0.000 0.870 754 V CB 1.227 32.884 31.823 -0.277 0.000 0.984 754 V HN 0.790 nan 8.190 nan 0.000 0.451 755 D N 4.434 124.657 120.400 -0.295 0.000 2.422 755 D HA 0.260 4.899 4.640 -0.000 0.000 0.227 755 D C 0.907 177.122 176.300 -0.141 0.000 1.190 755 D CA -0.058 53.841 54.000 -0.168 0.000 0.905 755 D CB 1.284 42.073 40.800 -0.018 0.000 1.034 755 D HN 0.640 nan 8.370 nan 0.000 0.507 756 G N 2.541 111.236 108.800 -0.176 0.000 3.523 756 G HA2 0.300 4.260 3.960 -0.000 0.000 0.270 756 G HA3 0.300 4.260 3.960 -0.000 0.000 0.270 756 G C 1.272 176.122 174.900 -0.083 0.000 1.134 756 G CA 0.332 45.357 45.100 -0.125 0.000 0.825 756 G HN 0.536 nan 8.290 nan 0.000 0.534 757 A N 0.572 123.340 122.820 -0.086 0.000 1.884 757 A HA -0.176 4.144 4.320 -0.000 0.000 0.219 757 A C 2.031 179.624 177.584 0.016 0.000 1.197 757 A CA 1.741 53.724 52.037 -0.090 0.000 0.637 757 A CB -0.571 18.349 19.000 -0.133 0.000 0.827 757 A HN 0.444 nan 8.150 nan 0.000 0.450 758 Y N -0.124 120.115 120.300 -0.102 0.000 2.159 758 Y HA 0.194 4.743 4.550 -0.000 0.000 0.285 758 Y C 2.464 178.287 175.900 -0.129 0.000 1.106 758 Y CA 1.203 59.246 58.100 -0.095 0.000 1.095 758 Y CB -1.031 37.391 38.460 -0.062 0.000 1.015 758 Y HN 0.188 nan 8.280 nan 0.000 0.491 759 G N -0.778 107.947 108.800 -0.126 0.000 2.985 759 G HA2 0.064 4.023 3.960 -0.000 0.000 0.209 759 G HA3 0.064 4.023 3.960 -0.000 0.000 0.209 759 G C 1.697 176.504 174.900 -0.154 0.000 1.165 759 G CA 0.407 45.326 45.100 -0.302 0.000 0.776 759 G HN 0.611 nan 8.290 nan 0.000 0.541 760 G N 1.148 109.929 108.800 -0.033 0.000 2.448 760 G HA2 0.033 3.993 3.960 -0.000 0.000 0.219 760 G HA3 0.033 3.993 3.960 -0.000 0.000 0.219 760 G C 1.867 176.878 174.900 0.184 0.000 1.127 760 G CA 1.188 46.367 45.100 0.132 0.000 0.766 760 G HN 0.509 nan 8.290 nan 0.000 0.552 761 A N 0.681 123.438 122.820 -0.106 0.000 2.070 761 A HA 0.103 4.423 4.320 -0.000 0.000 0.220 761 A C 2.247 179.582 177.584 -0.415 0.000 1.159 761 A CA 0.846 52.524 52.037 -0.599 0.000 0.656 761 A CB -0.289 17.862 19.000 -1.414 0.000 0.800 761 A HN 0.386 nan 8.150 nan 0.000 0.453 762 L N -0.934 120.117 121.223 -0.287 0.000 2.450 762 L HA -0.134 4.206 4.340 -0.000 0.000 0.224 762 L C 2.207 179.072 176.870 -0.008 0.000 1.149 762 L CA 0.374 55.146 54.840 -0.113 0.000 0.816 762 L CB -0.557 41.439 42.059 -0.106 0.000 0.932 762 L HN 0.369 nan 8.230 nan 0.000 0.449 763 I N 0.132 120.681 120.570 -0.035 0.000 2.454 763 I HA -0.260 3.910 4.170 -0.000 0.000 0.254 763 I C 1.966 178.039 176.117 -0.073 0.000 1.156 763 I CA 1.552 62.784 61.300 -0.114 0.000 1.433 763 I CB -0.019 37.735 38.000 -0.410 0.000 1.082 763 I HN 0.179 nan 8.210 nan 0.000 0.432 764 L N -0.599 120.647 121.223 0.038 0.000 2.591 764 L HA 0.119 4.459 4.340 -0.000 0.000 0.228 764 L C 1.197 178.138 176.870 0.118 0.000 1.133 764 L CA 0.090 54.989 54.840 0.099 0.000 0.880 764 L CB -0.764 41.423 42.059 0.212 0.000 1.033 764 L HN 0.277 nan 8.230 nan 0.000 0.450 765 S N -2.322 113.466 115.700 0.147 0.000 2.767 765 S HA 0.259 4.729 4.470 -0.000 0.000 0.300 765 S C 1.041 175.700 174.600 0.098 0.000 1.123 765 S CA -0.492 57.810 58.200 0.170 0.000 0.992 765 S CB 1.629 65.007 63.200 0.295 0.000 1.138 765 S HN -0.014 nan 8.310 nan 0.000 0.550 766 S N 0.328 116.079 115.700 0.085 0.000 2.547 766 S HA -0.015 4.455 4.470 -0.000 0.000 0.235 766 S C 0.774 175.251 174.600 -0.206 0.000 0.980 766 S CA 0.513 58.666 58.200 -0.079 0.000 0.941 766 S CB -0.610 62.496 63.200 -0.157 0.000 0.763 766 S HN 0.719 nan 8.310 nan 0.000 0.532 767 H N -0.038 119.039 119.070 0.012 0.000 2.542 767 H HA 0.243 4.799 4.556 -0.000 0.000 0.283 767 H C 1.706 177.023 175.328 -0.018 0.000 1.059 767 H CA -0.060 55.984 56.048 -0.006 0.000 1.162 767 H CB 0.189 29.945 29.762 -0.010 0.000 1.539 767 H HN 0.350 nan 8.280 nan 0.000 0.543 768 K N 1.747 122.182 120.400 0.058 0.000 2.144 768 K HA -0.211 4.109 4.320 -0.000 0.000 0.209 768 K C 2.229 178.834 176.600 0.007 0.000 1.047 768 K CA 1.880 58.176 56.287 0.016 0.000 0.927 768 K CB 0.147 32.638 32.500 -0.016 0.000 0.716 768 K HN 0.238 nan 8.250 nan 0.000 0.454 769 S N 0.462 116.162 115.700 0.000 0.000 2.419 769 S HA -0.180 4.290 4.470 -0.000 0.000 0.235 769 S C 1.764 176.369 174.600 0.008 0.000 1.019 769 S CA 1.130 59.328 58.200 -0.003 0.000 0.982 769 S CB -0.426 62.766 63.200 -0.014 0.000 0.789 769 S HN 0.421 nan 8.310 nan 0.000 0.490 770 R N 0.757 121.270 120.500 0.022 0.000 2.193 770 R HA 0.151 4.491 4.340 -0.000 0.000 0.229 770 R C 1.584 177.885 176.300 0.002 0.000 1.110 770 R CA 1.219 57.328 56.100 0.014 0.000 0.988 770 R CB -0.539 29.772 30.300 0.018 0.000 0.871 770 R HN 0.463 nan 8.270 nan 0.000 0.458 771 L N 1.126 122.353 121.223 0.006 0.000 2.611 771 L HA 0.106 4.446 4.340 -0.000 0.000 0.229 771 L C 0.450 177.327 176.870 0.013 0.000 1.137 771 L CA -0.334 54.512 54.840 0.010 0.000 0.901 771 L CB -0.183 41.896 42.059 0.033 0.000 1.098 771 L HN -0.096 nan 8.230 nan 0.000 0.456 772 K N 1.558 121.963 120.400 0.007 0.000 2.491 772 K HA 0.163 4.482 4.320 -0.000 0.000 0.279 772 K C 1.030 177.633 176.600 0.004 0.000 1.026 772 K CA 1.263 57.553 56.287 0.004 0.000 1.070 772 K CB 0.193 32.694 32.500 0.003 0.000 0.887 772 K HN 0.259 nan 8.250 nan 0.000 0.481 773 G N 2.201 110.999 108.800 -0.004 0.000 2.307 773 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.210 773 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.210 773 G C 0.902 175.785 174.900 -0.028 0.000 1.005 773 G CA 0.018 45.110 45.100 -0.014 0.000 0.634 773 G HN 0.602 nan 8.290 nan 0.000 0.496 774 V N 2.642 122.548 119.914 -0.013 0.000 2.317 774 V HA -0.192 3.927 4.120 -0.000 0.000 0.251 774 V C 2.845 178.921 176.094 -0.030 0.000 1.065 774 V CA 3.294 65.582 62.300 -0.020 0.000 1.049 774 V CB -0.126 31.726 31.823 0.048 0.000 0.651 774 V HN 0.752 nan 8.190 nan 0.000 0.450 775 E N 0.282 120.479 120.200 -0.006 0.000 2.409 775 E HA -0.241 4.108 4.350 -0.000 0.000 0.198 775 E C 1.896 178.451 176.600 -0.076 0.000 1.024 775 E CA 1.167 57.557 56.400 -0.018 0.000 0.861 775 E CB -0.454 29.241 29.700 -0.008 0.000 0.788 775 E HN 0.667 nan 8.360 nan 0.000 0.521 776 R N 0.525 120.968 120.500 -0.095 0.000 2.312 776 R HA 0.317 4.657 4.340 -0.000 0.000 0.205 776 R C 0.823 176.994 176.300 -0.215 0.000 0.904 776 R CA 0.358 56.373 56.100 -0.142 0.000 1.052 776 R CB 0.360 30.595 30.300 -0.108 0.000 1.014 776 R HN 0.106 nan 8.270 nan 0.000 0.503 777 A N 0.642 123.344 122.820 -0.196 0.000 2.520 777 A HA -0.032 4.287 4.320 -0.000 0.000 0.235 777 A C 0.130 177.480 177.584 -0.390 0.000 1.065 777 A CA -0.015 51.883 52.037 -0.231 0.000 0.764 777 A CB 0.227 19.105 19.000 -0.203 0.000 1.002 777 A HN 0.305 nan 8.150 nan 0.000 0.502 778 H N 0.752 119.446 119.070 -0.627 0.000 2.357 778 H HA 0.058 4.614 4.556 -0.000 0.000 0.301 778 H C 0.995 175.884 175.328 -0.732 0.000 1.082 778 H CA 1.858 57.261 56.048 -1.075 0.000 1.342 778 H CB 0.080 28.445 29.762 -2.329 0.000 1.389 778 H HN 0.762 nan 8.280 nan 0.000 0.511 779 S N -0.642 114.924 115.700 -0.224 0.000 2.579 779 S HA 0.631 5.100 4.470 -0.000 0.000 0.272 779 S C -1.056 173.504 174.600 -0.066 0.000 1.141 779 S CA -1.068 57.166 58.200 0.056 0.000 0.843 779 S CB 2.137 65.654 63.200 0.528 0.000 1.122 779 S HN 0.105 nan 8.310 nan 0.000 0.468 780 I N 1.646 122.144 120.570 -0.119 0.000 2.571 780 I HA 0.435 4.605 4.170 -0.000 0.000 0.289 780 I C -0.393 175.583 176.117 -0.235 0.000 1.115 780 I CA -0.571 60.536 61.300 -0.322 0.000 1.045 780 I CB 2.435 40.179 38.000 -0.426 0.000 1.238 780 I HN 0.798 nan 8.210 nan 0.000 0.424 781 S N 6.364 121.911 115.700 -0.256 0.000 2.475 781 S HA 0.710 5.180 4.470 -0.000 0.000 0.281 781 S C -0.689 173.741 174.600 -0.284 0.000 1.198 781 S CA -0.383 57.725 58.200 -0.153 0.000 1.063 781 S CB 0.960 64.171 63.200 0.017 0.000 0.972 781 S HN 0.362 nan 8.310 nan 0.000 0.486 782 V N 4.164 123.846 119.914 -0.387 0.000 2.444 782 V HA 0.451 4.571 4.120 -0.000 0.000 0.294 782 V C -0.881 174.745 176.094 -0.779 0.000 1.022 782 V CA -0.825 61.145 62.300 -0.551 0.000 0.850 782 V CB 1.750 33.135 31.823 -0.730 0.000 0.992 782 V HN 0.854 nan 8.190 nan 0.000 0.426 783 D N 3.301 123.345 120.400 -0.593 0.000 2.460 783 D HA 0.452 5.092 4.640 -0.000 0.000 0.232 783 D C 0.410 176.418 176.300 -0.487 0.000 1.079 783 D CA -0.322 53.313 54.000 -0.609 0.000 0.864 783 D CB 1.204 41.758 40.800 -0.411 0.000 1.048 783 D HN 0.358 nan 8.370 nan 0.000 0.523 784 F N 0.568 120.362 119.950 -0.260 0.000 2.325 784 F HA -0.049 4.478 4.527 -0.000 0.000 0.299 784 F C 2.105 177.991 175.800 0.144 0.000 1.090 784 F CA 0.635 58.598 58.000 -0.063 0.000 1.392 784 F CB -0.482 38.438 39.000 -0.133 0.000 1.053 784 F HN 0.492 nan 8.300 nan 0.000 0.521 785 H N -1.554 117.693 119.070 0.294 0.000 2.556 785 H HA 0.247 4.803 4.556 -0.000 0.000 0.273 785 H C 0.952 176.391 175.328 0.184 0.000 1.030 785 H CA -0.182 56.011 56.048 0.241 0.000 1.156 785 H CB -0.526 29.355 29.762 0.199 0.000 1.326 785 H HN 0.141 nan 8.280 nan 0.000 0.609 786 K N -0.349 120.161 120.400 0.183 0.000 3.956 786 K HA 0.190 4.510 4.320 -0.000 0.000 0.194 786 K C 0.972 177.582 176.600 0.017 0.000 1.153 786 K CA -0.280 56.080 56.287 0.122 0.000 1.676 786 K CB -0.111 32.415 32.500 0.043 0.000 2.322 786 K HN 0.035 nan 8.250 nan 0.000 0.493 787 L N 1.215 122.398 121.223 -0.065 0.000 2.610 787 L HA 0.109 4.448 4.340 -0.000 0.000 0.232 787 L C 1.075 177.634 176.870 -0.518 0.000 1.149 787 L CA 1.258 55.875 54.840 -0.371 0.000 0.872 787 L CB -0.290 41.514 42.059 -0.424 0.000 0.992 787 L HN 0.274 nan 8.230 nan 0.000 0.447 788 F N -2.136 117.757 119.950 -0.095 0.000 2.797 788 F HA 0.009 4.536 4.527 -0.000 0.000 0.302 788 F C 0.530 176.456 175.800 0.209 0.000 1.130 788 F CA -0.047 58.052 58.000 0.165 0.000 1.387 788 F CB -0.157 39.088 39.000 0.408 0.000 1.107 788 F HN 0.007 nan 8.300 nan 0.000 0.577 789 Y N -1.195 119.348 120.300 0.406 0.000 4.668 789 Y HA -0.275 4.275 4.550 -0.001 0.000 0.234 789 Y C 0.619 176.681 175.900 0.269 0.000 1.056 789 Y CA -0.527 57.745 58.100 0.286 0.000 2.025 789 Y CB -2.677 35.914 38.460 0.218 0.000 1.613 789 Y HN 0.103 nan 8.280 nan 0.000 0.653 790 Q N 0.849 120.906 119.800 0.429 0.000 2.354 790 Q HA 0.331 4.671 4.340 -0.000 0.000 0.244 790 Q C 0.889 177.086 176.000 0.328 0.000 0.969 790 Q CA 0.422 56.434 55.803 0.348 0.000 0.885 790 Q CB 0.711 29.658 28.738 0.347 0.000 1.241 790 Q HN 0.431 nan 8.270 nan 0.000 0.461 791 T N -1.387 113.315 114.554 0.246 0.000 2.940 791 T HA 0.298 4.647 4.350 -0.000 0.000 0.309 791 T C 0.815 175.641 174.700 0.210 0.000 1.056 791 T CA -0.540 61.682 62.100 0.204 0.000 1.137 791 T CB 0.138 69.092 68.868 0.142 0.000 0.976 791 T HN 0.383 nan 8.240 nan 0.000 0.547 792 I N 3.110 123.749 120.570 0.116 0.000 2.710 792 I HA 0.079 4.249 4.170 -0.000 0.000 0.286 792 I C 1.263 177.406 176.117 0.042 0.000 1.181 792 I CA -0.163 61.103 61.300 -0.057 0.000 1.430 792 I CB 0.313 38.187 38.000 -0.210 0.000 1.367 792 I HN 0.855 nan 8.210 nan 0.000 0.577 793 S N 4.990 120.741 115.700 0.085 0.000 2.586 793 S HA 0.532 5.002 4.470 -0.000 0.000 0.274 793 S C -0.475 174.365 174.600 0.400 0.000 1.281 793 S CA -0.762 57.545 58.200 0.179 0.000 1.035 793 S CB 1.707 65.001 63.200 0.156 0.000 0.962 793 S HN 0.771 nan 8.310 nan 0.000 0.512 794 C N 2.364 122.082 119.300 0.696 0.000 3.146 794 C HA 0.707 5.167 4.460 -0.000 0.000 0.382 794 C C 0.044 175.243 174.990 0.348 0.000 1.060 794 C CA 0.208 59.556 59.018 0.550 0.000 1.304 794 C CB -0.191 27.858 27.740 0.515 0.000 1.699 794 C HN 1.312 nan 8.230 nan 0.000 0.532 795 G N 2.672 111.603 108.800 0.218 0.000 2.690 795 G HA2 0.958 4.917 3.960 -0.000 0.000 0.293 795 G HA3 0.958 4.917 3.960 -0.000 0.000 0.293 795 G C -1.260 173.426 174.900 -0.358 0.000 1.399 795 G CA 0.199 45.172 45.100 -0.211 0.000 0.890 795 G HN 1.472 nan 8.290 nan 0.000 0.485 796 A N -0.265 122.237 122.820 -0.530 0.000 2.515 796 A HA 0.826 5.146 4.320 -0.000 0.000 0.296 796 A C -1.727 175.728 177.584 -0.215 0.000 1.094 796 A CA -0.658 51.120 52.037 -0.432 0.000 0.718 796 A CB 2.082 20.750 19.000 -0.554 0.000 1.307 796 A HN 1.557 nan 8.150 nan 0.000 0.408 797 L N 1.378 122.576 121.223 -0.042 0.000 2.333 797 L HA 0.741 5.080 4.340 -0.000 0.000 0.280 797 L C -1.274 175.672 176.870 0.127 0.000 1.004 797 L CA -0.246 54.634 54.840 0.066 0.000 0.820 797 L CB 1.076 43.247 42.059 0.187 0.000 1.247 797 L HN 0.633 nan 8.230 nan 0.000 0.416 798 L N 5.618 126.868 121.223 0.045 0.000 2.334 798 L HA 0.824 5.164 4.340 -0.000 0.000 0.272 798 L C -0.610 176.274 176.870 0.023 0.000 1.020 798 L CA -1.181 53.694 54.840 0.058 0.000 0.812 798 L CB 1.962 43.991 42.059 -0.050 0.000 1.264 798 L HN 0.526 nan 8.230 nan 0.000 0.439 799 V N -1.804 118.101 119.914 -0.015 0.000 2.789 799 V HA 0.452 4.572 4.120 -0.000 0.000 0.311 799 V C 0.102 176.107 176.094 -0.148 0.000 1.073 799 V CA -0.756 61.453 62.300 -0.152 0.000 0.921 799 V CB 1.862 33.464 31.823 -0.368 0.000 1.009 799 V HN 0.720 nan 8.190 nan 0.000 0.426 800 N N 1.486 120.053 118.700 -0.221 0.000 2.331 800 N HA -0.027 4.712 4.740 -0.000 0.000 0.180 800 N C -0.064 175.349 175.510 -0.161 0.000 1.019 800 N CA 1.321 54.252 53.050 -0.198 0.000 0.881 800 N CB 0.233 38.543 38.487 -0.295 0.000 0.972 800 N HN 0.954 nan 8.380 nan 0.000 0.435 801 D N -0.131 120.160 120.400 -0.182 0.000 2.476 801 D HA 0.077 4.717 4.640 -0.000 0.000 0.251 801 D C 0.632 176.878 176.300 -0.090 0.000 1.291 801 D CA -0.335 53.603 54.000 -0.104 0.000 0.939 801 D CB 0.964 41.712 40.800 -0.087 0.000 1.221 801 D HN 0.118 nan 8.370 nan 0.000 0.567 802 K N 1.158 121.545 120.400 -0.021 0.000 2.442 802 K HA -0.114 4.206 4.320 -0.000 0.000 0.198 802 K C 1.291 177.942 176.600 0.085 0.000 1.042 802 K CA 1.082 57.398 56.287 0.049 0.000 0.958 802 K CB -0.044 32.583 32.500 0.212 0.000 0.766 802 K HN 0.199 nan 8.250 nan 0.000 0.474 803 S N 1.131 116.860 115.700 0.048 0.000 2.447 803 S HA -0.105 4.364 4.470 -0.000 0.000 0.233 803 S C 1.546 176.152 174.600 0.009 0.000 1.006 803 S CA 0.758 58.983 58.200 0.041 0.000 0.957 803 S CB -0.384 62.836 63.200 0.034 0.000 0.773 803 S HN 0.330 nan 8.310 nan 0.000 0.507 804 N N 1.133 119.864 118.700 0.052 0.000 2.364 804 N HA 0.030 4.769 4.740 -0.000 0.000 0.183 804 N C 0.767 176.376 175.510 0.166 0.000 1.022 804 N CA 0.812 53.975 53.050 0.189 0.000 0.883 804 N CB -0.621 38.090 38.487 0.373 0.000 0.965 804 N HN 0.457 nan 8.380 nan 0.000 0.438 805 F N 2.110 122.156 119.950 0.159 0.000 2.546 805 F HA -0.067 4.459 4.527 -0.000 0.000 0.298 805 F C 2.095 177.917 175.800 0.036 0.000 1.120 805 F CA 0.455 58.531 58.000 0.127 0.000 1.456 805 F CB -0.415 38.651 39.000 0.110 0.000 1.088 805 F HN 0.182 nan 8.300 nan 0.000 0.572 806 K N -0.303 120.124 120.400 0.044 0.000 2.211 806 K HA -0.220 4.100 4.320 -0.000 0.000 0.204 806 K C 1.547 178.088 176.600 -0.100 0.000 1.047 806 K CA 1.697 57.919 56.287 -0.108 0.000 0.935 806 K CB -0.968 31.366 32.500 -0.277 0.000 0.728 806 K HN 0.171 nan 8.250 nan 0.000 0.452 807 F N 1.464 121.518 119.950 0.173 0.000 2.451 807 F HA 0.066 4.593 4.527 -0.000 0.000 0.299 807 F C 1.773 177.641 175.800 0.113 0.000 1.101 807 F CA 0.615 58.693 58.000 0.130 0.000 1.436 807 F CB -0.120 38.957 39.000 0.127 0.000 1.074 807 F HN -0.062 nan 8.300 nan 0.000 0.553 808 L N -0.985 120.399 121.223 0.269 0.000 2.640 808 L HA 0.128 4.467 4.340 -0.000 0.000 0.230 808 L C 0.174 177.114 176.870 0.116 0.000 1.123 808 L CA -0.096 54.859 54.840 0.192 0.000 0.900 808 L CB 0.105 42.291 42.059 0.212 0.000 1.146 808 L HN -0.016 nan 8.230 nan 0.000 0.484 835 R N 2.669 123.209 120.500 0.067 0.000 2.531 835 R HA 0.371 4.710 4.340 -0.000 0.000 0.273 835 R C -0.257 176.129 176.300 0.144 0.000 1.070 835 R CA -0.457 55.698 56.100 0.090 0.000 1.112 835 R CB 0.371 30.727 30.300 0.093 0.000 1.049 835 R HN 0.530 nan 8.270 nan 0.000 0.508 836 F N 4.141 124.057 119.950 -0.057 0.000 2.783 836 F HA 0.103 4.630 4.527 -0.000 0.000 0.338 836 F C 0.162 175.896 175.800 -0.111 0.000 1.178 836 F CA -0.431 57.503 58.000 -0.111 0.000 1.343 836 F CB -0.537 38.393 39.000 -0.117 0.000 1.496 836 F HN 0.643 nan 8.300 nan 0.000 0.583 837 D N 0.937 121.357 120.400 0.035 0.000 2.264 837 D HA -0.115 4.525 4.640 -0.000 0.000 0.208 837 D C 2.247 178.415 176.300 -0.219 0.000 0.966 837 D CA 0.983 54.970 54.000 -0.022 0.000 0.864 837 D CB 0.107 41.023 40.800 0.194 0.000 0.933 837 D HN 0.468 nan 8.370 nan 0.000 0.499 838 A N 0.824 123.328 122.820 -0.527 0.000 2.070 838 A HA -0.132 4.188 4.320 -0.000 0.000 0.220 838 A C 2.106 179.392 177.584 -0.496 0.000 1.159 838 A CA 0.550 52.066 52.037 -0.869 0.000 0.656 838 A CB -0.494 17.822 19.000 -1.139 0.000 0.800 838 A HN 0.206 nan 8.150 nan 0.000 0.453 839 L N 0.056 120.813 121.223 -0.777 0.000 2.081 839 L HA -0.210 4.130 4.340 -0.000 0.000 0.212 839 L C 2.202 178.899 176.870 -0.288 0.000 1.080 839 L CA 2.231 56.624 54.840 -0.746 0.000 0.754 839 L CB -0.482 40.781 42.059 -1.326 0.000 0.893 839 L HN 0.388 nan 8.230 nan 0.000 0.433 840 K N -1.305 118.950 120.400 -0.242 0.000 2.020 840 K HA -0.182 4.138 4.320 -0.000 0.000 0.212 840 K C 1.891 178.446 176.600 -0.074 0.000 1.050 840 K CA 1.942 58.171 56.287 -0.096 0.000 0.929 840 K CB -0.555 31.937 32.500 -0.014 0.000 0.714 840 K HN 0.261 nan 8.250 nan 0.000 0.443 841 V N 1.235 121.080 119.914 -0.114 0.000 2.307 841 V HA -0.169 3.950 4.120 -0.000 0.000 0.245 841 V C 1.512 177.519 176.094 -0.145 0.000 1.045 841 V CA 0.913 63.111 62.300 -0.171 0.000 1.024 841 V CB -0.574 31.052 31.823 -0.327 0.000 0.651 841 V HN 0.181 nan 8.190 nan 0.000 0.449 847 N N 0.319 118.939 118.700 -0.133 0.000 2.426 847 N HA -0.012 4.727 4.740 -0.000 0.000 0.205 847 N C 1.570 177.046 175.510 -0.058 0.000 1.040 847 N CA 1.126 54.124 53.050 -0.086 0.000 0.990 847 N CB 0.421 38.863 38.487 -0.075 0.000 1.215 847 N HN -0.024 nan 8.380 nan 0.000 0.491 848 V N 0.706 120.595 119.914 -0.041 0.000 2.323 848 V HA 0.124 4.244 4.120 -0.000 0.000 0.244 848 V C 1.266 177.355 176.094 -0.009 0.000 1.041 848 V CA 1.243 63.531 62.300 -0.020 0.000 1.025 848 V CB -1.376 30.451 31.823 0.007 0.000 0.656 848 V HN 0.761 nan 8.190 nan 0.000 0.451 849 G N 0.151 108.949 108.800 -0.002 0.000 2.758 849 G HA2 -0.138 3.822 3.960 -0.000 0.000 0.686 849 G HA3 -0.138 3.822 3.960 -0.000 0.000 0.686 849 G C -1.512 173.445 174.900 0.095 0.000 1.389 849 G CA -0.161 44.952 45.100 0.023 0.000 0.845 849 G HN 0.244 nan 8.290 nan 0.000 0.572 850 P HA -0.053 nan 4.420 nan 0.000 0.219 850 P C 1.621 179.003 177.300 0.137 0.000 1.150 850 P CA 1.614 64.871 63.100 0.261 0.000 0.814 850 P CB 0.116 32.066 31.700 0.416 0.000 0.787 851 K N 0.911 121.364 120.400 0.090 0.000 2.025 851 K HA -0.025 4.295 4.320 -0.000 0.000 0.207 851 K C 2.136 178.734 176.600 -0.002 0.000 1.049 851 K CA 1.601 57.913 56.287 0.042 0.000 0.933 851 K CB -1.269 31.252 32.500 0.034 0.000 0.714 851 K HN -0.054 nan 8.250 nan 0.000 0.438 852 A N 0.850 123.664 122.820 -0.010 0.000 1.877 852 A HA -0.122 4.197 4.320 -0.000 0.000 0.216 852 A C 2.250 179.768 177.584 -0.111 0.000 1.186 852 A CA 1.692 53.701 52.037 -0.047 0.000 0.620 852 A CB -0.811 18.167 19.000 -0.035 0.000 0.822 852 A HN 0.328 nan 8.150 nan 0.000 0.443 853 L N -0.692 120.466 121.223 -0.109 0.000 1.990 853 L HA -0.204 4.136 4.340 -0.000 0.000 0.213 853 L C 2.882 179.333 176.870 -0.699 0.000 1.072 853 L CA 1.390 56.044 54.840 -0.310 0.000 0.755 853 L CB -0.954 41.071 42.059 -0.057 0.000 0.889 853 L HN 0.508 nan 8.230 nan 0.000 0.432 854 G N -0.765 107.863 108.800 -0.286 0.000 2.442 854 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.219 854 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.219 854 G C 0.587 175.426 174.900 -0.101 0.000 1.141 854 G CA 0.486 45.511 45.100 -0.125 0.000 0.763 854 G HN 0.289 nan 8.290 nan 0.000 0.554 858 D N 0.550 121.081 120.400 0.218 0.000 2.104 858 D HA -0.182 4.457 4.640 -0.000 0.000 0.194 858 D C 2.032 178.416 176.300 0.140 0.000 0.994 858 D CA 2.082 56.208 54.000 0.209 0.000 0.830 858 D CB -0.427 40.492 40.800 0.197 0.000 0.959 858 D HN 0.545 nan 8.370 nan 0.000 0.452 859 H N 0.841 119.957 119.070 0.076 0.000 2.353 859 H HA -0.045 4.511 4.556 -0.000 0.000 0.300 859 H C 2.316 177.681 175.328 0.062 0.000 1.090 859 H CA 0.878 56.960 56.048 0.057 0.000 1.327 859 H CB -0.308 29.479 29.762 0.042 0.000 1.383 859 H HN 0.122 nan 8.280 nan 0.000 0.508 860 L N 0.153 121.319 121.223 -0.096 0.000 2.046 860 L HA -0.213 4.127 4.340 -0.000 0.000 0.208 860 L C 2.862 179.652 176.870 -0.133 0.000 1.077 860 L CA 0.680 55.452 54.840 -0.114 0.000 0.747 860 L CB -0.349 41.793 42.059 0.139 0.000 0.896 860 L HN 0.217 nan 8.230 nan 0.000 0.432 861 L N -0.176 120.983 121.223 -0.107 0.000 2.017 861 L HA -0.187 4.153 4.340 -0.000 0.000 0.208 861 L C 2.767 179.557 176.870 -0.133 0.000 1.073 861 L CA 2.030 56.778 54.840 -0.154 0.000 0.745 861 L CB -1.017 40.859 42.059 -0.304 0.000 0.894 861 L HN 0.178 nan 8.230 nan 0.000 0.432 862 A N -1.258 121.494 122.820 -0.113 0.000 1.902 862 A HA -0.282 4.037 4.320 -0.000 0.000 0.217 862 A C 2.311 179.806 177.584 -0.149 0.000 1.181 862 A CA 1.834 53.817 52.037 -0.089 0.000 0.623 862 A CB -0.600 18.377 19.000 -0.038 0.000 0.818 862 A HN 0.525 nan 8.150 nan 0.000 0.443 863 Q N -0.895 118.751 119.800 -0.256 0.000 2.119 863 Q HA -0.128 4.212 4.340 -0.000 0.000 0.201 863 Q C 1.933 177.768 176.000 -0.276 0.000 0.972 863 Q CA 1.848 57.479 55.803 -0.288 0.000 0.847 863 Q CB -0.234 28.258 28.738 -0.411 0.000 0.903 863 Q HN 0.585 nan 8.270 nan 0.000 0.433 864 T N 1.473 115.899 114.554 -0.213 0.000 2.746 864 T HA -0.115 4.234 4.350 -0.000 0.000 0.267 864 T C 1.763 176.377 174.700 -0.144 0.000 1.039 864 T CA 1.168 63.168 62.100 -0.166 0.000 1.142 864 T CB -0.172 68.651 68.868 -0.076 0.000 0.866 864 T HN 0.256 nan 8.240 nan 0.000 0.444 865 L N 0.646 121.798 121.223 -0.118 0.000 2.042 865 L HA -0.146 4.193 4.340 -0.000 0.000 0.210 865 L C 2.718 179.524 176.870 -0.107 0.000 1.076 865 L CA 1.568 56.354 54.840 -0.090 0.000 0.749 865 L CB -0.609 41.412 42.059 -0.064 0.000 0.893 865 L HN 0.332 nan 8.230 nan 0.000 0.432 866 E N -0.389 119.730 120.200 -0.134 0.000 2.077 866 E HA -0.180 4.169 4.350 -0.000 0.000 0.193 866 E C 2.268 178.759 176.600 -0.182 0.000 0.989 866 E CA 1.260 57.579 56.400 -0.136 0.000 0.800 866 E CB -0.046 29.575 29.700 -0.132 0.000 0.746 866 E HN 0.262 nan 8.360 nan 0.000 0.452 867 V N 1.322 121.066 119.914 -0.284 0.000 2.358 867 V HA -0.268 3.852 4.120 -0.000 0.000 0.246 867 V C 2.336 178.302 176.094 -0.214 0.000 1.047 867 V CA 1.741 63.837 62.300 -0.341 0.000 1.035 867 V CB -0.773 30.692 31.823 -0.597 0.000 0.658 867 V HN 0.321 nan 8.190 nan 0.000 0.452 868 A N -0.447 122.277 122.820 -0.160 0.000 1.892 868 A HA -0.194 4.125 4.320 -0.000 0.000 0.218 868 A C 1.335 178.863 177.584 -0.094 0.000 1.188 868 A CA 1.679 53.648 52.037 -0.113 0.000 0.631 868 A CB -0.578 18.381 19.000 -0.069 0.000 0.822 868 A HN 0.533 nan 8.150 nan 0.000 0.447 872 R N 1.583 122.074 120.500 -0.014 0.000 2.103 872 R HA -0.195 4.145 4.340 -0.000 0.000 0.242 872 R C 1.562 177.881 176.300 0.032 0.000 1.142 872 R CA 2.464 58.574 56.100 0.017 0.000 0.960 872 R CB -0.181 30.120 30.300 0.000 0.000 0.858 872 R HN 0.533 nan 8.270 nan 0.000 0.439 873 T N -2.023 112.545 114.554 0.024 0.000 3.122 873 T HA 0.094 4.443 4.350 -0.000 0.000 0.250 873 T C 0.356 175.089 174.700 0.055 0.000 1.067 873 T CA -0.445 61.674 62.100 0.031 0.000 0.966 873 T CB -0.050 68.828 68.868 0.018 0.000 1.002 873 T HN 0.017 nan 8.240 nan 0.000 0.542 874 N N 2.725 121.479 118.700 0.090 0.000 2.469 874 N HA 0.139 4.879 4.740 -0.000 0.000 0.253 874 N C 0.144 175.748 175.510 0.156 0.000 0.970 874 N CA -0.432 52.708 53.050 0.149 0.000 0.940 874 N CB 1.550 40.185 38.487 0.246 0.000 1.128 874 N HN 0.300 nan 8.380 nan 0.000 0.503 875 D N 2.455 122.908 120.400 0.087 0.000 2.392 875 D HA -0.144 4.496 4.640 -0.000 0.000 0.228 875 D C 0.480 176.777 176.300 -0.006 0.000 1.003 875 D CA 1.077 55.102 54.000 0.043 0.000 0.917 875 D CB 0.141 40.951 40.800 0.017 0.000 0.890 875 D HN 0.492 nan 8.370 nan 0.000 0.532 876 Q N -1.145 118.627 119.800 -0.047 0.000 2.360 876 Q HA 0.268 4.608 4.340 -0.000 0.000 0.202 876 Q C -0.673 174.971 176.000 -0.594 0.000 0.915 876 Q CA 0.202 55.821 55.803 -0.306 0.000 0.943 876 Q CB 0.180 28.667 28.738 -0.419 0.000 1.064 876 Q HN 0.278 nan 8.270 nan 0.000 0.511 877 F N -0.536 119.458 119.950 0.073 0.000 2.640 877 F HA 0.457 4.984 4.527 -0.000 0.000 0.324 877 F C -0.312 175.537 175.800 0.081 0.000 1.077 877 F CA -1.315 56.748 58.000 0.105 0.000 0.965 877 F CB 1.702 40.759 39.000 0.095 0.000 1.351 877 F HN -0.283 nan 8.300 nan 0.000 0.487 878 E N 1.476 121.868 120.200 0.321 0.000 2.246 878 E HA 0.432 4.782 4.350 -0.000 0.000 0.266 878 E C -1.859 174.863 176.600 0.204 0.000 0.880 878 E CA -0.980 55.536 56.400 0.193 0.000 0.762 878 E CB 1.979 31.753 29.700 0.123 0.000 1.180 878 E HN 0.579 nan 8.360 nan 0.000 0.416 879 L N 5.585 126.890 121.223 0.136 0.000 2.410 879 L HA 0.178 4.517 4.340 -0.000 0.000 0.273 879 L C -0.083 176.837 176.870 0.085 0.000 1.144 879 L CA 0.579 55.483 54.840 0.107 0.000 0.863 879 L CB 0.614 42.703 42.059 0.050 0.000 1.140 879 L HN 0.839 nan 8.230 nan 0.000 0.463 880 L N 4.972 126.242 121.223 0.078 0.000 2.590 880 L HA 0.504 4.844 4.340 -0.000 0.000 0.227 880 L C 0.381 177.283 176.870 0.052 0.000 1.099 880 L CA 0.260 55.130 54.840 0.050 0.000 0.872 880 L CB -0.010 42.063 42.059 0.023 0.000 1.088 880 L HN 0.789 nan 8.230 nan 0.000 0.479 881 A N -0.625 122.227 122.820 0.052 0.000 2.612 881 A HA 0.556 4.876 4.320 -0.000 0.000 0.293 881 A C -1.240 176.380 177.584 0.060 0.000 1.075 881 A CA -0.666 51.419 52.037 0.079 0.000 0.680 881 A CB 1.203 20.276 19.000 0.122 0.000 1.279 881 A HN -0.091 nan 8.150 nan 0.000 0.411 882 E N 1.814 122.054 120.200 0.065 0.000 2.229 882 E HA 0.416 4.766 4.350 -0.000 0.000 0.283 882 E C -2.311 174.319 176.600 0.050 0.000 1.030 882 E CA -1.530 54.894 56.400 0.041 0.000 0.836 882 E CB 0.457 30.174 29.700 0.028 0.000 1.068 882 E HN 0.354 nan 8.360 nan 0.000 0.401 883 P HA 0.049 nan 4.420 nan 0.000 0.267 883 P C 0.207 177.518 177.300 0.018 0.000 1.200 883 P CA 0.134 63.250 63.100 0.027 0.000 0.772 883 P CB 0.728 32.427 31.700 -0.001 0.000 0.855 884 S N 0.324 116.037 115.700 0.023 0.000 2.539 884 S HA 0.211 4.680 4.470 -0.000 0.000 0.226 884 S C 0.903 175.460 174.600 -0.073 0.000 1.054 884 S CA -0.056 58.136 58.200 -0.013 0.000 0.910 884 S CB 0.031 63.236 63.200 0.009 0.000 0.818 884 S HN 0.370 nan 8.310 nan 0.000 0.490 885 L N -0.139 121.045 121.223 -0.065 0.000 3.620 885 L HA 0.326 4.666 4.340 -0.000 0.000 0.217 885 L C 0.232 177.079 176.870 -0.038 0.000 1.331 885 L CA 0.485 55.244 54.840 -0.135 0.000 1.878 885 L CB 0.454 42.321 42.059 -0.321 0.000 2.003 885 L HN 0.208 nan 8.230 nan 0.000 0.786 886 S N -1.108 114.648 115.700 0.094 0.000 2.846 886 S HA 0.187 4.656 4.470 -0.000 0.000 0.249 886 S C 0.153 174.874 174.600 0.203 0.000 1.028 886 S CA 0.106 58.396 58.200 0.149 0.000 1.043 886 S CB -0.266 63.047 63.200 0.189 0.000 0.990 886 S HN 0.527 nan 8.310 nan 0.000 0.564 887 T N 0.060 114.736 114.554 0.202 0.000 2.928 887 T HA 0.760 5.110 4.350 -0.000 0.000 0.284 887 T C -0.414 174.360 174.700 0.123 0.000 1.008 887 T CA -0.663 61.545 62.100 0.180 0.000 1.057 887 T CB 1.570 70.537 68.868 0.164 0.000 1.018 887 T HN 0.125 nan 8.240 nan 0.000 0.493 888 V N 3.283 123.284 119.914 0.146 0.000 2.588 888 V HA 0.478 4.597 4.120 -0.000 0.000 0.304 888 V C -0.411 175.733 176.094 0.083 0.000 1.042 888 V CA -0.936 61.419 62.300 0.090 0.000 0.877 888 V CB 1.602 33.470 31.823 0.074 0.000 0.996 888 V HN 0.858 nan 8.190 nan 0.000 0.425 889 L N 6.427 127.677 121.223 0.045 0.000 2.325 889 L HA 0.781 5.121 4.340 -0.000 0.000 0.281 889 L C -0.735 176.179 176.870 0.075 0.000 1.004 889 L CA -0.307 54.519 54.840 -0.023 0.000 0.823 889 L CB 1.247 43.228 42.059 -0.130 0.000 1.236 889 L HN 0.801 nan 8.230 nan 0.000 0.415 890 F N 1.894 121.747 119.950 -0.162 0.000 2.773 890 F HA 0.808 5.334 4.527 -0.000 0.000 0.314 890 F C -1.254 174.519 175.800 -0.045 0.000 1.160 890 F CA -1.250 56.684 58.000 -0.110 0.000 0.920 890 F CB 1.543 40.428 39.000 -0.193 0.000 1.323 890 F HN 0.446 nan 8.300 nan 0.000 0.457 891 R N 1.738 122.297 120.500 0.099 0.000 2.740 891 R HA 0.891 5.231 4.340 -0.000 0.000 0.273 891 R C -1.517 174.981 176.300 0.330 0.000 0.998 891 R CA -1.004 55.114 56.100 0.031 0.000 0.900 891 R CB 1.807 32.095 30.300 -0.020 0.000 1.223 891 R HN 1.166 nan 8.270 nan 0.000 0.466 892 A N 1.337 124.303 122.820 0.243 0.000 2.462 892 A HA 0.365 4.685 4.320 -0.000 0.000 0.243 892 A C -0.153 177.436 177.584 0.010 0.000 1.076 892 A CA 0.157 52.233 52.037 0.065 0.000 0.773 892 A CB 0.748 19.751 19.000 0.005 0.000 1.010 892 A HN 0.679 nan 8.150 nan 0.000 0.493 893 T N 0.194 114.715 114.554 -0.054 0.000 2.924 893 T HA 0.631 4.981 4.350 -0.000 0.000 0.291 893 T C -1.191 173.539 174.700 0.049 0.000 1.045 893 T CA -0.320 61.785 62.100 0.009 0.000 1.015 893 T CB 0.786 69.663 68.868 0.014 0.000 1.103 893 T HN 0.908 nan 8.240 nan 0.000 0.496 894 H N 0.814 119.857 119.070 -0.045 0.000 3.085 894 H HA 0.352 4.908 4.556 -0.000 0.000 0.356 894 H C 0.386 175.699 175.328 -0.024 0.000 1.178 894 H CA -0.358 55.666 56.048 -0.041 0.000 1.214 894 H CB 1.758 31.497 29.762 -0.038 0.000 1.881 894 H HN 0.704 nan 8.280 nan 0.000 0.538 895 E N 1.092 121.090 120.200 -0.336 0.000 2.347 895 E HA -0.074 4.276 4.350 -0.000 0.000 0.196 895 E C 0.850 177.432 176.600 -0.029 0.000 1.008 895 E CA 1.736 58.042 56.400 -0.158 0.000 0.852 895 E CB 0.475 30.064 29.700 -0.184 0.000 0.783 895 E HN 0.748 nan 8.360 nan 0.000 0.505 896 T N -3.379 111.242 114.554 0.112 0.000 3.010 896 T HA 0.374 4.724 4.350 -0.000 0.000 0.252 896 T C 0.841 175.649 174.700 0.181 0.000 0.963 896 T CA 0.054 62.246 62.100 0.154 0.000 0.952 896 T CB 0.113 69.054 68.868 0.122 0.000 1.182 896 T HN 0.072 nan 8.240 nan 0.000 0.495 897 A N 2.227 125.230 122.820 0.305 0.000 2.492 897 A HA 0.362 4.682 4.320 -0.000 0.000 0.236 897 A C 0.232 177.839 177.584 0.038 0.000 1.078 897 A CA -0.033 52.030 52.037 0.043 0.000 0.773 897 A CB -0.248 18.627 19.000 -0.208 0.000 1.023 897 A HN 0.444 nan 8.150 nan 0.000 0.504 898 D N 1.620 122.019 120.400 -0.002 0.000 2.393 898 D HA 0.272 4.912 4.640 -0.000 0.000 0.232 898 D C 0.907 177.204 176.300 -0.006 0.000 1.192 898 D CA -0.102 53.899 54.000 0.001 0.000 0.882 898 D CB 0.303 41.099 40.800 -0.007 0.000 1.038 898 D HN 0.411 nan 8.370 nan 0.000 0.499 899 L N 2.814 124.040 121.223 0.006 0.000 2.109 899 L HA -0.087 4.252 4.340 -0.000 0.000 0.207 899 L C 1.783 178.648 176.870 -0.008 0.000 1.086 899 L CA 0.514 55.356 54.840 0.003 0.000 0.760 899 L CB -0.202 41.867 42.059 0.017 0.000 0.910 899 L HN 0.291 nan 8.230 nan 0.000 0.437 900 D N 0.408 120.803 120.400 -0.009 0.000 2.106 900 D HA -0.261 4.379 4.640 -0.000 0.000 0.191 900 D C 2.024 178.314 176.300 -0.016 0.000 0.997 900 D CA 1.584 55.575 54.000 -0.014 0.000 0.834 900 D CB -0.069 40.724 40.800 -0.011 0.000 0.956 900 D HN 0.390 nan 8.370 nan 0.000 0.448 901 E N -0.123 120.068 120.200 -0.015 0.000 2.058 901 E HA -0.192 4.158 4.350 -0.000 0.000 0.194 901 E C 2.178 178.765 176.600 -0.021 0.000 0.997 901 E CA 0.668 57.058 56.400 -0.017 0.000 0.801 901 E CB -0.171 29.518 29.700 -0.018 0.000 0.746 901 E HN 0.105 nan 8.360 nan 0.000 0.450 902 L N 1.619 122.827 121.223 -0.026 0.000 1.989 902 L HA -0.215 4.125 4.340 -0.000 0.000 0.211 902 L C 1.773 178.633 176.870 -0.016 0.000 1.071 902 L CA 1.942 56.764 54.840 -0.030 0.000 0.749 902 L CB -0.623 41.410 42.059 -0.043 0.000 0.890 902 L HN 0.167 nan 8.230 nan 0.000 0.431 903 N N -0.445 118.244 118.700 -0.017 0.000 2.270 903 N HA -0.151 4.589 4.740 -0.000 0.000 0.181 903 N C 1.725 177.221 175.510 -0.022 0.000 1.016 903 N CA 1.231 54.268 53.050 -0.022 0.000 0.870 903 N CB -0.048 38.411 38.487 -0.047 0.000 0.979 903 N HN 0.488 nan 8.380 nan 0.000 0.431 904 K N 1.241 121.629 120.400 -0.020 0.000 2.026 904 K HA -0.036 4.284 4.320 -0.000 0.000 0.208 904 K C 2.214 178.813 176.600 -0.002 0.000 1.048 904 K CA 1.286 57.566 56.287 -0.013 0.000 0.929 904 K CB -0.126 32.367 32.500 -0.012 0.000 0.713 904 K HN 0.079 nan 8.250 nan 0.000 0.439 905 A N 1.737 124.555 122.820 -0.002 0.000 1.877 905 A HA -0.168 4.152 4.320 -0.000 0.000 0.216 905 A C 2.154 179.748 177.584 0.016 0.000 1.186 905 A CA 1.198 53.238 52.037 0.004 0.000 0.620 905 A CB -0.768 18.230 19.000 -0.003 0.000 0.822 905 A HN 0.218 nan 8.150 nan 0.000 0.443 906 L N -0.944 120.291 121.223 0.019 0.000 1.978 906 L HA -0.271 4.069 4.340 -0.000 0.000 0.218 906 L C 2.940 179.840 176.870 0.050 0.000 1.075 906 L CA 2.117 56.981 54.840 0.041 0.000 0.767 906 L CB -0.419 41.670 42.059 0.049 0.000 0.890 906 L HN 0.460 nan 8.230 nan 0.000 0.434 907 R N -0.040 120.480 120.500 0.033 0.000 2.080 907 R HA -0.227 4.113 4.340 -0.000 0.000 0.236 907 R C 2.256 178.582 176.300 0.043 0.000 1.137 907 R CA 1.981 58.103 56.100 0.036 0.000 0.943 907 R CB -0.745 29.561 30.300 0.011 0.000 0.846 907 R HN 0.310 nan 8.270 nan 0.000 0.431 908 L N 1.486 122.728 121.223 0.032 0.000 2.056 908 L HA -0.104 4.236 4.340 -0.000 0.000 0.207 908 L C 2.364 179.259 176.870 0.043 0.000 1.078 908 L CA 1.759 56.618 54.840 0.032 0.000 0.749 908 L CB -0.459 41.613 42.059 0.020 0.000 0.901 908 L HN 0.103 nan 8.230 nan 0.000 0.433 909 E N -0.017 120.209 120.200 0.044 0.000 2.058 909 E HA -0.230 4.120 4.350 -0.000 0.000 0.194 909 E C 2.188 178.830 176.600 0.069 0.000 0.997 909 E CA 1.439 57.870 56.400 0.052 0.000 0.801 909 E CB -0.416 29.311 29.700 0.045 0.000 0.746 909 E HN 0.601 nan 8.360 nan 0.000 0.450 910 A N 0.933 123.799 122.820 0.076 0.000 1.940 910 A HA -0.177 4.143 4.320 -0.000 0.000 0.219 910 A C 2.208 179.852 177.584 0.101 0.000 1.176 910 A CA 1.411 53.504 52.037 0.092 0.000 0.631 910 A CB -0.492 18.573 19.000 0.108 0.000 0.814 910 A HN 0.269 nan 8.150 nan 0.000 0.446 911 L N -0.633 120.644 121.223 0.090 0.000 2.007 911 L HA -0.047 4.293 4.340 -0.000 0.000 0.205 911 L C 2.376 179.328 176.870 0.136 0.000 1.073 911 L CA 2.881 57.775 54.840 0.089 0.000 0.744 911 L CB -1.319 40.765 42.059 0.042 0.000 0.898 911 L HN 0.297 nan 8.230 nan 0.000 0.435 912 T N 0.481 115.102 114.554 0.112 0.000 2.759 912 T HA -0.151 4.199 4.350 -0.000 0.000 0.269 912 T C 1.844 176.678 174.700 0.223 0.000 1.042 912 T CA 1.522 63.715 62.100 0.156 0.000 1.140 912 T CB -0.196 68.728 68.868 0.093 0.000 0.864 912 T HN 0.344 nan 8.240 nan 0.000 0.455 913 R N 0.288 120.879 120.500 0.152 0.000 2.275 913 R HA 0.190 4.530 4.340 -0.000 0.000 0.199 913 R C 1.829 178.185 176.300 0.092 0.000 0.989 913 R CA 0.678 56.838 56.100 0.100 0.000 1.016 913 R CB -0.151 30.188 30.300 0.066 0.000 0.918 913 R HN 0.506 nan 8.270 nan 0.000 0.473 914 G N 1.522 110.432 108.800 0.185 0.000 2.147 914 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.244 914 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.244 914 G C 0.762 175.697 174.900 0.059 0.000 1.005 914 G CA 0.347 45.547 45.100 0.166 0.000 0.713 914 G HN 0.325 nan 8.290 nan 0.000 0.515 915 I N 0.221 120.832 120.570 0.067 0.000 2.233 915 I HA 0.339 4.509 4.170 -0.000 0.000 0.243 915 I C 1.578 177.729 176.117 0.055 0.000 1.093 915 I CA 1.723 63.052 61.300 0.048 0.000 1.380 915 I CB -0.069 37.972 38.000 0.068 0.000 1.067 915 I HN 0.625 nan 8.210 nan 0.000 0.413 916 A N -0.476 122.395 122.820 0.085 0.000 2.604 916 A HA 0.642 4.962 4.320 -0.000 0.000 0.295 916 A C -1.328 176.318 177.584 0.103 0.000 1.067 916 A CA -0.422 51.672 52.037 0.095 0.000 0.683 916 A CB 1.333 20.406 19.000 0.123 0.000 1.281 916 A HN -0.181 nan 8.150 nan 0.000 0.407 917 V N 2.472 122.443 119.914 0.095 0.000 2.311 917 V HA 0.459 4.579 4.120 -0.000 0.000 0.275 917 V C -0.355 175.773 176.094 0.057 0.000 1.022 917 V CA -0.079 62.268 62.300 0.078 0.000 0.830 917 V CB 0.516 32.391 31.823 0.087 0.000 1.012 917 V HN 0.670 nan 8.190 nan 0.000 0.452 918 L N 3.664 124.919 121.223 0.054 0.000 2.334 918 L HA 0.782 5.122 4.340 -0.000 0.000 0.273 918 L C 0.948 177.785 176.870 -0.055 0.000 1.013 918 L CA -0.534 54.349 54.840 0.072 0.000 0.816 918 L CB 1.912 44.047 42.059 0.126 0.000 1.278 918 L HN 0.683 nan 8.230 nan 0.000 0.431 919 G N 0.576 109.327 108.800 -0.081 0.000 2.562 919 G HA2 0.420 4.380 3.960 -0.000 0.000 0.275 919 G HA3 0.420 4.380 3.960 -0.000 0.000 0.275 919 G C -1.061 173.819 174.900 -0.032 0.000 1.196 919 G CA -0.120 44.928 45.100 -0.087 0.000 0.908 919 G HN 0.673 nan 8.290 nan 0.000 0.524 920 E N -0.853 119.358 120.200 0.017 0.000 2.278 920 E HA 0.540 4.890 4.350 -0.000 0.000 0.272 920 E C -0.621 175.978 176.600 -0.002 0.000 0.890 920 E CA -0.682 55.705 56.400 -0.021 0.000 0.770 920 E CB 1.631 31.326 29.700 -0.008 0.000 1.212 920 E HN 0.614 nan 8.360 nan 0.000 0.415 921 T N 0.978 115.511 114.554 -0.035 0.000 2.654 921 T HA 0.556 4.906 4.350 -0.000 0.000 0.289 921 T C -0.254 174.430 174.700 -0.026 0.000 1.062 921 T CA -0.778 61.313 62.100 -0.015 0.000 1.041 921 T CB 0.551 69.415 68.868 -0.006 0.000 1.417 921 T HN 0.346 nan 8.240 nan 0.000 0.510 922 I N 0.918 121.485 120.570 -0.006 0.000 2.378 922 I HA 0.609 4.779 4.170 -0.000 0.000 0.291 922 I C -0.985 175.142 176.117 0.017 0.000 0.992 922 I CA -1.020 60.280 61.300 -0.001 0.000 1.154 922 I CB 1.885 39.889 38.000 0.006 0.000 1.315 922 I HN 0.308 nan 8.210 nan 0.000 0.448 923 V N 5.237 125.158 119.914 0.011 0.000 2.443 923 V HA 0.298 4.418 4.120 -0.000 0.000 0.293 923 V C 0.096 176.213 176.094 0.037 0.000 1.021 923 V CA -0.342 61.983 62.300 0.041 0.000 0.848 923 V CB 1.429 33.263 31.823 0.020 0.000 0.998 923 V HN 0.904 nan 8.190 nan 0.000 0.424 924 D N 4.149 124.577 120.400 0.047 0.000 2.945 924 D HA -0.183 4.456 4.640 -0.000 0.000 0.225 924 D C 1.214 177.525 176.300 0.019 0.000 1.158 924 D CA 2.085 56.104 54.000 0.032 0.000 0.805 924 D CB -1.071 39.750 40.800 0.035 0.000 1.098 924 D HN 1.525 nan 8.370 nan 0.000 0.426 925 G N -0.403 108.407 108.800 0.016 0.000 2.159 925 G HA2 -0.320 3.640 3.960 -0.000 0.000 0.256 925 G HA3 -0.320 3.640 3.960 -0.000 0.000 0.256 925 G C 0.131 175.033 174.900 0.004 0.000 0.977 925 G CA 0.881 45.986 45.100 0.008 0.000 0.652 925 G HN 0.762 nan 8.290 nan 0.000 0.531 926 K N -0.096 120.305 120.400 0.002 0.000 2.318 926 K HA 0.686 5.006 4.320 -0.000 0.000 0.249 926 K C -0.556 176.033 176.600 -0.018 0.000 0.942 926 K CA -0.833 55.450 56.287 -0.006 0.000 0.808 926 K CB 1.627 34.126 32.500 -0.002 0.000 1.189 926 K HN -0.032 nan 8.250 nan 0.000 0.428 927 T N 1.396 115.935 114.554 -0.026 0.000 2.853 927 T HA 0.274 4.624 4.350 -0.000 0.000 0.298 927 T C -0.312 174.343 174.700 -0.075 0.000 0.978 927 T CA -0.099 61.975 62.100 -0.043 0.000 1.152 927 T CB 0.470 69.314 68.868 -0.040 0.000 0.914 927 T HN 0.646 nan 8.240 nan 0.000 0.539 928 A N 4.317 127.075 122.820 -0.104 0.000 2.342 928 A HA 0.736 5.056 4.320 -0.000 0.000 0.323 928 A C -0.128 177.301 177.584 -0.259 0.000 1.125 928 A CA -0.819 51.108 52.037 -0.184 0.000 0.785 928 A CB 0.728 19.634 19.000 -0.158 0.000 1.221 928 A HN 0.829 nan 8.150 nan 0.000 0.463 929 L N 1.080 122.018 121.223 -0.475 0.000 2.453 929 L HA 0.497 4.837 4.340 -0.000 0.000 0.261 929 L C 0.468 176.961 176.870 -0.628 0.000 1.179 929 L CA -0.264 54.220 54.840 -0.593 0.000 0.813 929 L CB 0.815 42.307 42.059 -0.944 0.000 1.110 929 L HN 0.777 nan 8.230 nan 0.000 0.466 930 K N 1.288 121.491 120.400 -0.328 0.000 2.507 930 K HA 0.462 4.782 4.320 -0.000 0.000 0.251 930 K C -1.637 175.065 176.600 0.171 0.000 0.943 930 K CA -0.590 55.639 56.287 -0.097 0.000 0.794 930 K CB 1.239 33.718 32.500 -0.034 0.000 1.188 930 K HN 0.139 nan 8.250 nan 0.000 0.428 931 F N 1.701 121.788 119.950 0.228 0.000 2.408 931 F HA 0.331 4.858 4.527 -0.000 0.000 0.344 931 F C 0.403 176.277 175.800 0.123 0.000 1.112 931 F CA -0.728 57.389 58.000 0.195 0.000 1.096 931 F CB 2.033 41.187 39.000 0.257 0.000 1.129 931 F HN 0.318 nan 8.300 nan 0.000 0.486 932 T N 5.381 120.101 114.554 0.276 0.000 2.874 932 T HA 0.496 4.846 4.350 -0.000 0.000 0.321 932 T C 0.146 174.954 174.700 0.180 0.000 1.075 932 T CA -0.334 61.871 62.100 0.175 0.000 0.966 932 T CB -0.022 68.888 68.868 0.070 0.000 1.001 932 T HN 0.250 nan 8.240 nan 0.000 0.476 933 I N 4.439 125.139 120.570 0.218 0.000 2.337 933 I HA 0.243 4.413 4.170 -0.000 0.000 0.291 933 I C 0.764 177.009 176.117 0.214 0.000 1.046 933 I CA -0.065 61.370 61.300 0.225 0.000 1.324 933 I CB 0.825 38.974 38.000 0.248 0.000 1.409 933 I HN 0.581 nan 8.210 nan 0.000 0.494 934 L N 4.051 125.404 121.223 0.217 0.000 2.663 934 L HA 0.197 4.537 4.340 -0.000 0.000 0.218 934 L C 0.967 178.067 176.870 0.384 0.000 1.043 934 L CA -0.042 54.972 54.840 0.289 0.000 0.876 934 L CB 0.016 42.223 42.059 0.246 0.000 1.263 934 L HN 0.558 nan 8.230 nan 0.000 0.486 935 N N 2.985 121.831 118.700 0.243 0.000 2.434 935 N HA 0.012 4.752 4.740 -0.000 0.000 0.268 935 N C -1.881 173.730 175.510 0.169 0.000 1.256 935 N CA -1.021 52.118 53.050 0.147 0.000 0.914 935 N CB 1.193 39.707 38.487 0.046 0.000 1.088 935 N HN 0.021 nan 8.380 nan 0.000 0.478 936 P HA 0.166 nan 4.420 nan 0.000 0.257 936 P C 0.027 177.353 177.300 0.043 0.000 1.281 936 P CA 0.134 63.346 63.100 0.187 0.000 0.826 936 P CB -0.029 31.732 31.700 0.101 0.000 1.237 937 C N -0.325 118.979 119.300 0.006 0.000 3.000 937 C HA 0.346 4.806 4.460 -0.000 0.000 0.286 937 C C 1.012 175.989 174.990 -0.021 0.000 1.343 937 C CA -0.445 58.539 59.018 -0.056 0.000 1.742 937 C CB -1.282 26.400 27.740 -0.098 0.000 2.200 937 C HN 0.127 nan 8.230 nan 0.000 0.621 938 L N 1.730 122.989 121.223 0.060 0.000 2.418 938 L HA 0.467 4.807 4.340 -0.000 0.000 0.265 938 L C 0.831 177.784 176.870 0.137 0.000 1.143 938 L CA 0.437 55.297 54.840 0.033 0.000 0.809 938 L CB 0.863 42.932 42.059 0.018 0.000 1.124 938 L HN 0.284 nan 8.230 nan 0.000 0.456 939 T N -3.895 110.708 114.554 0.082 0.000 2.927 939 T HA 0.192 4.542 4.350 -0.000 0.000 0.286 939 T C 0.940 175.764 174.700 0.208 0.000 1.040 939 T CA -0.040 62.133 62.100 0.122 0.000 1.010 939 T CB 1.651 70.542 68.868 0.039 0.000 1.177 939 T HN 0.723 nan 8.240 nan 0.000 0.546 940 T N -0.692 113.965 114.554 0.171 0.000 2.833 940 T HA -0.153 4.197 4.350 -0.000 0.000 0.269 940 T C 2.123 176.909 174.700 0.143 0.000 1.054 940 T CA 1.990 64.201 62.100 0.186 0.000 1.135 940 T CB -1.104 67.817 68.868 0.089 0.000 0.869 940 T HN 0.812 nan 8.240 nan 0.000 0.466 941 S N 1.217 116.960 115.700 0.071 0.000 2.399 941 S HA -0.147 4.323 4.470 -0.000 0.000 0.231 941 S C 1.749 176.343 174.600 -0.011 0.000 1.022 941 S CA 1.275 59.492 58.200 0.029 0.000 0.983 941 S CB -0.661 62.544 63.200 0.009 0.000 0.803 941 S HN 0.545 nan 8.310 nan 0.000 0.480 942 D N 1.142 121.504 120.400 -0.063 0.000 2.104 942 D HA -0.046 4.594 4.640 -0.000 0.000 0.194 942 D C 1.571 177.697 176.300 -0.290 0.000 0.994 942 D CA 1.182 55.050 54.000 -0.220 0.000 0.830 942 D CB -0.494 40.087 40.800 -0.366 0.000 0.959 942 D HN 0.478 nan 8.370 nan 0.000 0.452 943 F N 1.376 121.267 119.950 -0.097 0.000 2.146 943 F HA -0.088 4.438 4.527 -0.000 0.000 0.298 943 F C 2.488 178.242 175.800 -0.076 0.000 1.096 943 F CA 0.996 58.921 58.000 -0.124 0.000 1.275 943 F CB -0.443 38.490 39.000 -0.111 0.000 1.008 943 F HN -0.020 nan 8.300 nan 0.000 0.480 944 E N -0.166 120.106 120.200 0.121 0.000 2.038 944 E HA -0.273 4.076 4.350 -0.000 0.000 0.195 944 E C 2.436 179.067 176.600 0.052 0.000 1.000 944 E CA 1.686 58.130 56.400 0.074 0.000 0.803 944 E CB -0.380 29.356 29.700 0.061 0.000 0.750 944 E HN 0.281 nan 8.360 nan 0.000 0.448 945 S N -0.113 115.598 115.700 0.018 0.000 2.359 945 S HA -0.175 4.295 4.470 -0.000 0.000 0.224 945 S C 2.014 176.628 174.600 0.024 0.000 1.035 945 S CA 1.236 59.443 58.200 0.013 0.000 1.018 945 S CB -0.403 62.785 63.200 -0.020 0.000 0.876 945 S HN 0.370 nan 8.310 nan 0.000 0.448 946 L N 1.798 123.008 121.223 -0.022 0.000 2.017 946 L HA 0.063 4.403 4.340 -0.000 0.000 0.208 946 L C 2.214 179.149 176.870 0.109 0.000 1.073 946 L CA 1.739 56.578 54.840 -0.001 0.000 0.745 946 L CB -0.918 41.044 42.059 -0.162 0.000 0.894 946 L HN 0.408 nan 8.230 nan 0.000 0.432 947 L N -1.223 120.055 121.223 0.092 0.000 2.079 947 L HA -0.236 4.103 4.340 -0.000 0.000 0.210 947 L C 2.696 179.723 176.870 0.261 0.000 1.081 947 L CA 1.561 56.446 54.840 0.075 0.000 0.752 947 L CB -0.745 41.256 42.059 -0.096 0.000 0.896 947 L HN 0.413 nan 8.230 nan 0.000 0.433 948 S N -0.073 115.738 115.700 0.184 0.000 2.355 948 S HA -0.174 4.296 4.470 -0.000 0.000 0.222 948 S C 1.978 176.680 174.600 0.171 0.000 1.031 948 S CA 1.182 59.488 58.200 0.177 0.000 0.993 948 S CB 0.022 63.291 63.200 0.114 0.000 0.859 948 S HN 0.314 nan 8.310 nan 0.000 0.453 949 K N 0.490 120.977 120.400 0.144 0.000 2.074 949 K HA -0.104 4.216 4.320 -0.000 0.000 0.209 949 K C 1.978 178.684 176.600 0.176 0.000 1.048 949 K CA 1.924 58.291 56.287 0.134 0.000 0.926 949 K CB -0.398 32.170 32.500 0.113 0.000 0.713 949 K HN 0.451 nan 8.250 nan 0.000 0.444 950 I N 0.830 121.554 120.570 0.257 0.000 2.252 950 I HA -0.204 3.966 4.170 -0.000 0.000 0.245 950 I C 1.393 177.695 176.117 0.309 0.000 1.102 950 I CA 0.267 61.763 61.300 0.328 0.000 1.385 950 I CB -0.367 37.925 38.000 0.487 0.000 1.064 950 I HN 0.206 nan 8.210 nan 0.000 0.414 954 A N 0.319 123.168 122.820 0.047 0.000 1.908 954 A HA -0.143 4.176 4.320 -0.000 0.000 0.218 954 A C 1.999 179.571 177.584 -0.019 0.000 1.181 954 A CA 2.232 54.273 52.037 0.007 0.000 0.627 954 A CB -0.640 18.352 19.000 -0.013 0.000 0.818 954 A HN 0.172 nan 8.150 nan 0.000 0.445 955 V N 0.351 120.264 119.914 -0.001 0.000 2.392 955 V HA -0.212 3.907 4.120 -0.000 0.000 0.249 955 V C 2.387 178.475 176.094 -0.010 0.000 1.059 955 V CA 2.137 64.436 62.300 -0.001 0.000 1.051 955 V CB -0.648 31.186 31.823 0.017 0.000 0.658 955 V HN 0.532 nan 8.190 nan 0.000 0.455 956 E N -0.361 119.838 120.200 -0.002 0.000 2.299 956 E HA 0.111 4.461 4.350 -0.000 0.000 0.193 956 E C 0.747 177.336 176.600 -0.017 0.000 0.998 956 E CA 0.277 56.675 56.400 -0.003 0.000 0.851 956 E CB 0.076 29.781 29.700 0.010 0.000 0.795 956 E HN 0.492 nan 8.360 nan 0.000 0.492 957 L N 0.000 121.206 121.223 -0.028 0.000 2.949 957 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 957 L CA 0.000 54.813 54.840 -0.045 0.000 0.813 957 L CB 0.000 42.041 42.059 -0.030 0.000 0.961 957 L HN 0.000 nan 8.230 nan 0.000 0.502