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 3jw0_1_C DATA FIRST_RESID 575 DATA SEQUENCE FEFKQKYDYF RKKLKKPADI PNRFEMKLHR NNIFEESYRR IMSVKRPDVL DATA SEQUENCE KARLWIEFES EKGLDYGGVA REWFFLLSKE MFNPYYGLFE YSATDNYTLQ DATA SEQUENCE INPNSGLCNE DHLSYFTFIG RVAGLAVFHG KLLDGFFIRP FYKMMLGKQI DATA SEQUENCE TLNDMESVDS EYYNSLKWIL ENDPTELDLM FCIDEENFGQ TYQVDLKPNG DATA SEQUENCE SEIMVTNENK REYIDLVIQW RFVNRVQKQM NAFLEGFTEL LPIDLIKIFD DATA SEQUENCE ENELELLMCG LGDVDVNDWR QHSIYKNGYC PNHPVIQWFW KAVLLMDAEK DATA SEQUENCE RIRLLQFVTG TSRVPMNGFA ELYGSNGPQL FTIEQWGSPE KLPRAHTSFN DATA SEQUENCE RLDLPPYETF EDLREKLLMA VENAQG 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 575 F HA 0.000 nan 4.527 nan 0.000 0.279 575 F C 0.000 175.858 175.800 0.097 0.000 0.967 575 F CA 0.000 58.050 58.000 0.083 0.000 1.383 575 F CB 0.000 39.033 39.000 0.056 0.000 1.145 576 E N 0.853 121.255 120.200 0.336 0.000 2.086 576 E HA -0.265 4.086 4.350 0.001 0.000 0.200 576 E C 1.939 178.684 176.600 0.241 0.000 1.012 576 E CA 2.334 58.872 56.400 0.229 0.000 0.812 576 E CB -0.381 29.428 29.700 0.182 0.000 0.743 576 E HN 0.347 nan 8.360 nan 0.000 0.453 577 F N 2.021 122.057 119.950 0.143 0.000 2.113 577 F HA -0.155 4.372 4.527 0.001 0.000 0.297 577 F C 2.360 178.277 175.800 0.195 0.000 1.103 577 F CA 1.688 59.782 58.000 0.157 0.000 1.248 577 F CB -0.234 38.823 39.000 0.094 0.000 0.999 577 F HN -0.211 nan 8.300 nan 0.000 0.475 578 K N 0.180 120.546 120.400 -0.058 0.000 2.032 578 K HA -0.263 4.058 4.320 0.001 0.000 0.209 578 K C 2.057 178.635 176.600 -0.036 0.000 1.048 578 K CA 2.075 58.290 56.287 -0.120 0.000 0.927 578 K CB -0.320 32.163 32.500 -0.029 0.000 0.712 578 K HN 0.466 nan 8.250 nan 0.000 0.441 579 Q N 0.631 120.455 119.800 0.039 0.000 1.967 579 Q HA -0.227 4.114 4.340 0.001 0.000 0.210 579 Q C 2.222 178.260 176.000 0.062 0.000 1.005 579 Q CA 2.182 58.021 55.803 0.060 0.000 0.862 579 Q CB -0.239 28.548 28.738 0.081 0.000 0.939 579 Q HN 0.297 nan 8.270 nan 0.000 0.417 580 K N -0.036 120.398 120.400 0.057 0.000 2.015 580 K HA -0.265 4.056 4.320 0.001 0.000 0.216 580 K C 2.132 178.812 176.600 0.133 0.000 1.052 580 K CA 1.843 58.160 56.287 0.050 0.000 0.937 580 K CB -0.585 31.908 32.500 -0.011 0.000 0.719 580 K HN 0.186 nan 8.250 nan 0.000 0.446 581 Y N 2.686 122.965 120.300 -0.035 0.000 2.062 581 Y HA -0.331 4.220 4.550 0.001 0.000 0.276 581 Y C 1.562 177.558 175.900 0.160 0.000 1.189 581 Y CA 2.072 60.221 58.100 0.081 0.000 1.130 581 Y CB -0.769 37.501 38.460 -0.316 0.000 0.959 581 Y HN 0.203 nan 8.280 nan 0.000 0.499 582 D N -1.493 118.904 120.400 -0.006 0.000 2.092 582 D HA -0.268 4.372 4.640 0.001 0.000 0.193 582 D C 1.956 178.241 176.300 -0.025 0.000 0.994 582 D CA 1.824 55.767 54.000 -0.095 0.000 0.828 582 D CB -0.741 40.052 40.800 -0.012 0.000 0.963 582 D HN 0.470 nan 8.370 nan 0.000 0.450 583 Y N 0.235 120.504 120.300 -0.053 0.000 2.256 583 Y HA -0.241 4.310 4.550 0.001 0.000 0.288 583 Y C 1.833 177.694 175.900 -0.064 0.000 1.155 583 Y CA 0.951 59.015 58.100 -0.060 0.000 1.203 583 Y CB -0.538 37.893 38.460 -0.048 0.000 0.980 583 Y HN 0.040 nan 8.280 nan 0.000 0.530 584 F N 0.823 120.622 119.950 -0.251 0.000 2.084 584 F HA -0.146 4.382 4.527 0.001 0.000 0.296 584 F C 2.315 177.928 175.800 -0.312 0.000 1.111 584 F CA 1.718 59.553 58.000 -0.274 0.000 1.224 584 F CB -0.457 38.574 39.000 0.052 0.000 0.991 584 F HN -0.166 nan 8.300 nan 0.000 0.471 585 R N 0.722 121.027 120.500 -0.326 0.000 2.112 585 R HA -0.225 4.116 4.340 0.001 0.000 0.242 585 R C 2.187 178.211 176.300 -0.459 0.000 1.137 585 R CA 1.794 57.632 56.100 -0.436 0.000 0.944 585 R CB -1.124 28.937 30.300 -0.398 0.000 0.857 585 R HN 0.212 nan 8.270 nan 0.000 0.435 586 K N 1.467 121.651 120.400 -0.361 0.000 2.026 586 K HA -0.093 4.228 4.320 0.001 0.000 0.208 586 K C 1.829 178.208 176.600 -0.367 0.000 1.048 586 K CA 1.598 57.706 56.287 -0.298 0.000 0.929 586 K CB -0.188 32.204 32.500 -0.179 0.000 0.713 586 K HN 0.099 nan 8.250 nan 0.000 0.439 587 K N 0.240 120.336 120.400 -0.507 0.000 2.218 587 K HA -0.136 4.185 4.320 0.001 0.000 0.205 587 K C 0.479 176.816 176.600 -0.437 0.000 1.046 587 K CA 0.580 56.583 56.287 -0.475 0.000 0.933 587 K CB -0.418 31.723 32.500 -0.599 0.000 0.728 587 K HN 0.167 nan 8.250 nan 0.000 0.454 588 L N 1.509 122.395 121.223 -0.563 0.000 2.461 588 L HA 0.018 4.359 4.340 0.001 0.000 0.272 588 L C 0.094 176.726 176.870 -0.396 0.000 1.197 588 L CA 0.483 54.971 54.840 -0.586 0.000 0.836 588 L CB 0.396 41.934 42.059 -0.869 0.000 1.105 588 L HN 0.037 nan 8.230 nan 0.000 0.477 589 K N 2.265 122.488 120.400 -0.294 0.000 2.513 589 K HA 0.336 4.657 4.320 0.001 0.000 0.251 589 K C -1.216 175.398 176.600 0.024 0.000 0.939 589 K CA -1.042 55.170 56.287 -0.125 0.000 0.793 589 K CB 2.335 34.777 32.500 -0.097 0.000 1.241 589 K HN 0.184 nan 8.250 nan 0.000 0.431 590 K N 3.873 124.324 120.400 0.084 0.000 2.312 590 K HA 0.210 4.531 4.320 0.001 0.000 0.287 590 K C -2.102 174.539 176.600 0.067 0.000 1.062 590 K CA -1.615 54.763 56.287 0.152 0.000 0.934 590 K CB 0.514 33.095 32.500 0.135 0.000 1.027 590 K HN 0.304 nan 8.250 nan 0.000 0.478 591 P HA 0.047 nan 4.420 nan 0.000 0.272 591 P C -0.527 176.783 177.300 0.016 0.000 1.230 591 P CA -0.216 62.898 63.100 0.024 0.000 0.788 591 P CB 1.407 33.117 31.700 0.017 0.000 0.949 592 A N 1.089 123.913 122.820 0.007 0.000 2.147 592 A HA -0.002 4.319 4.320 0.001 0.000 0.211 592 A C 0.927 178.511 177.584 -0.001 0.000 1.160 592 A CA 0.417 52.456 52.037 0.003 0.000 0.781 592 A CB -0.446 18.553 19.000 -0.001 0.000 0.842 592 A HN 0.640 nan 8.150 nan 0.000 0.475 593 D N 0.852 121.251 120.400 -0.001 0.000 3.072 593 D HA 0.263 4.903 4.640 0.001 0.000 0.250 593 D C 0.075 176.373 176.300 -0.003 0.000 1.304 593 D CA -0.153 53.844 54.000 -0.004 0.000 0.861 593 D CB -0.569 40.228 40.800 -0.005 0.000 1.062 593 D HN 0.613 nan 8.370 nan 0.000 0.481 594 I N -4.105 116.464 120.570 -0.002 0.000 2.730 594 I HA 0.606 4.777 4.170 0.001 0.000 0.298 594 I C -2.682 173.434 176.117 -0.002 0.000 1.089 594 I CA -2.533 58.769 61.300 0.002 0.000 1.041 594 I CB 1.584 39.585 38.000 0.002 0.000 1.235 594 I HN -0.379 nan 8.210 nan 0.000 0.423 595 P HA 0.066 nan 4.420 nan 0.000 0.271 595 P C 0.256 177.542 177.300 -0.024 0.000 1.228 595 P CA -0.178 62.910 63.100 -0.020 0.000 0.797 595 P CB 0.411 32.100 31.700 -0.018 0.000 0.914 596 N N 0.698 119.363 118.700 -0.059 0.000 2.244 596 N HA -0.076 4.665 4.740 0.001 0.000 0.183 596 N C 0.452 175.929 175.510 -0.055 0.000 1.016 596 N CA 1.273 54.282 53.050 -0.068 0.000 0.866 596 N CB 0.021 38.434 38.487 -0.123 0.000 0.980 596 N HN 0.442 nan 8.380 nan 0.000 0.430 597 R N -1.389 119.073 120.500 -0.063 0.000 2.795 597 R HA 0.363 4.704 4.340 0.001 0.000 0.268 597 R C -1.615 174.721 176.300 0.060 0.000 1.041 597 R CA -0.782 55.317 56.100 -0.000 0.000 0.927 597 R CB 1.064 31.324 30.300 -0.067 0.000 1.235 597 R HN -0.110 nan 8.270 nan 0.000 0.463 598 F N 1.815 121.726 119.950 -0.065 0.000 2.404 598 F HA 0.278 4.806 4.527 0.001 0.000 0.354 598 F C -0.111 175.637 175.800 -0.087 0.000 1.122 598 F CA -0.684 57.254 58.000 -0.103 0.000 1.080 598 F CB 1.207 40.114 39.000 -0.155 0.000 1.131 598 F HN 0.240 nan 8.300 nan 0.000 0.471 599 E N 7.929 127.770 120.200 -0.598 0.000 2.166 599 E HA 0.183 4.534 4.350 0.001 0.000 0.279 599 E C -0.554 175.716 176.600 -0.551 0.000 1.095 599 E CA 0.183 56.321 56.400 -0.436 0.000 0.888 599 E CB 0.882 30.361 29.700 -0.368 0.000 1.041 599 E HN 0.657 nan 8.360 nan 0.000 0.414 600 M N 3.372 122.741 119.600 -0.385 0.000 2.267 600 M HA 0.278 4.758 4.480 0.001 0.000 0.289 600 M C -0.776 175.267 176.300 -0.429 0.000 1.043 600 M CA -0.617 54.424 55.300 -0.432 0.000 0.928 600 M CB 2.224 34.497 32.600 -0.545 0.000 1.613 600 M HN 0.197 nan 8.290 nan 0.000 0.450 601 K N 4.650 124.837 120.400 -0.354 0.000 2.615 601 K HA 0.806 5.127 4.320 0.001 0.000 0.249 601 K C -1.978 174.462 176.600 -0.267 0.000 0.977 601 K CA -0.755 55.321 56.287 -0.352 0.000 0.833 601 K CB 1.817 34.159 32.500 -0.263 0.000 1.208 601 K HN 0.669 nan 8.250 nan 0.000 0.443 602 L N 1.689 122.762 121.223 -0.250 0.000 2.469 602 L HA 0.406 4.747 4.340 0.001 0.000 0.256 602 L C -0.964 175.899 176.870 -0.012 0.000 1.006 602 L CA -1.387 53.386 54.840 -0.111 0.000 0.832 602 L CB 2.129 44.215 42.059 0.046 0.000 1.421 602 L HN 0.604 nan 8.230 nan 0.000 0.410 603 H N 0.515 119.683 119.070 0.162 0.000 2.819 603 H HA 0.180 4.737 4.556 0.001 0.000 0.303 603 H C 0.716 176.147 175.328 0.173 0.000 1.058 603 H CA -0.195 55.949 56.048 0.161 0.000 1.471 603 H CB 0.872 30.690 29.762 0.093 0.000 1.480 603 H HN 0.414 nan 8.280 nan 0.000 0.517 604 R N 3.121 123.735 120.500 0.189 0.000 2.117 604 R HA -0.215 4.125 4.340 0.001 0.000 0.243 604 R C 1.451 177.794 176.300 0.073 0.000 1.143 604 R CA 1.777 57.891 56.100 0.023 0.000 0.968 604 R CB -0.020 30.131 30.300 -0.248 0.000 0.863 604 R HN 0.820 nan 8.270 nan 0.000 0.444 605 N N -0.551 118.208 118.700 0.098 0.000 2.521 605 N HA -0.142 4.599 4.740 0.001 0.000 0.188 605 N C 0.109 175.676 175.510 0.095 0.000 1.146 605 N CA 0.776 53.872 53.050 0.076 0.000 0.893 605 N CB -0.054 38.466 38.487 0.055 0.000 0.975 605 N HN 0.332 nan 8.380 nan 0.000 0.451 606 N N 0.198 118.983 118.700 0.143 0.000 2.453 606 N HA 0.079 4.820 4.740 0.001 0.000 0.267 606 N C 0.662 176.286 175.510 0.191 0.000 1.482 606 N CA -0.182 52.957 53.050 0.148 0.000 0.841 606 N CB 0.514 39.075 38.487 0.124 0.000 1.408 606 N HN 0.081 nan 8.380 nan 0.000 0.490 607 I N 0.285 120.971 120.570 0.194 0.000 2.118 607 I HA -0.281 3.889 4.170 0.001 0.000 0.241 607 I C 1.791 178.026 176.117 0.196 0.000 1.070 607 I CA 1.465 62.895 61.300 0.217 0.000 1.327 607 I CB -0.105 38.004 38.000 0.181 0.000 1.034 607 I HN 0.172 nan 8.210 nan 0.000 0.405 608 F N 1.863 121.835 119.950 0.037 0.000 2.000 608 F HA -0.347 4.181 4.527 0.001 0.000 0.296 608 F C 2.372 178.187 175.800 0.024 0.000 1.159 608 F CA 2.470 60.474 58.000 0.007 0.000 1.183 608 F CB -0.389 38.545 39.000 -0.110 0.000 0.959 608 F HN 0.078 nan 8.300 nan 0.000 0.490 609 E N 0.467 120.886 120.200 0.364 0.000 2.070 609 E HA -0.249 4.102 4.350 0.001 0.000 0.197 609 E C 2.076 178.747 176.600 0.117 0.000 1.004 609 E CA 2.066 58.608 56.400 0.238 0.000 0.805 609 E CB -0.500 29.343 29.700 0.238 0.000 0.744 609 E HN 0.569 nan 8.360 nan 0.000 0.451 610 E N 0.212 120.486 120.200 0.124 0.000 2.038 610 E HA -0.169 4.182 4.350 0.001 0.000 0.195 610 E C 2.240 178.868 176.600 0.046 0.000 1.000 610 E CA 1.346 57.803 56.400 0.095 0.000 0.803 610 E CB -0.170 29.616 29.700 0.143 0.000 0.750 610 E HN 0.092 nan 8.360 nan 0.000 0.448 611 S N 0.404 116.160 115.700 0.094 0.000 2.370 611 S HA -0.216 4.255 4.470 0.001 0.000 0.226 611 S C 1.732 176.245 174.600 -0.145 0.000 1.033 611 S CA 1.332 59.636 58.200 0.173 0.000 1.011 611 S CB -0.453 62.968 63.200 0.369 0.000 0.852 611 S HN 0.355 nan 8.310 nan 0.000 0.457 612 Y N 2.542 122.412 120.300 -0.716 0.000 2.081 612 Y HA -0.212 4.339 4.550 0.001 0.000 0.280 612 Y C 2.364 177.849 175.900 -0.690 0.000 1.163 612 Y CA 1.695 58.952 58.100 -1.405 0.000 1.135 612 Y CB -0.355 37.342 38.460 -1.273 0.000 0.970 612 Y HN 0.073 nan 8.280 nan 0.000 0.498 613 R N -0.459 119.795 120.500 -0.410 0.000 2.081 613 R HA -0.195 4.146 4.340 0.001 0.000 0.235 613 R C 2.372 178.516 176.300 -0.259 0.000 1.131 613 R CA 1.551 57.454 56.100 -0.329 0.000 0.960 613 R CB -0.345 29.905 30.300 -0.083 0.000 0.856 613 R HN 0.211 nan 8.270 nan 0.000 0.436 614 R N 1.306 121.716 120.500 -0.149 0.000 2.092 614 R HA -0.102 4.239 4.340 0.001 0.000 0.226 614 R C 2.149 178.453 176.300 0.007 0.000 1.140 614 R CA 1.655 57.727 56.100 -0.046 0.000 0.910 614 R CB -0.755 29.550 30.300 0.008 0.000 0.822 614 R HN 0.067 nan 8.270 nan 0.000 0.433 615 I N 0.583 121.181 120.570 0.047 0.000 2.236 615 I HA -0.256 3.915 4.170 0.001 0.000 0.249 615 I C 1.443 177.534 176.117 -0.043 0.000 1.102 615 I CA 1.368 62.712 61.300 0.073 0.000 1.365 615 I CB -0.978 37.172 38.000 0.250 0.000 1.051 615 I HN 0.285 nan 8.210 nan 0.000 0.420 616 M N 0.609 120.062 119.600 -0.245 0.000 2.652 616 M HA 0.069 4.549 4.480 0.001 0.000 0.226 616 M C 1.385 177.553 176.300 -0.220 0.000 1.244 616 M CA 0.320 55.438 55.300 -0.303 0.000 0.986 616 M CB -0.959 31.217 32.600 -0.707 0.000 1.666 616 M HN 0.362 nan 8.290 nan 0.000 0.460 617 S N -1.612 114.015 115.700 -0.121 0.000 2.663 617 S HA 0.115 4.586 4.470 0.001 0.000 0.247 617 S C 0.629 175.215 174.600 -0.023 0.000 1.074 617 S CA -0.344 57.812 58.200 -0.075 0.000 0.955 617 S CB -0.488 62.667 63.200 -0.074 0.000 0.901 617 S HN 0.278 nan 8.310 nan 0.000 0.505 618 V N 1.969 121.888 119.914 0.008 0.000 2.720 618 V HA 0.306 4.427 4.120 0.001 0.000 0.307 618 V C 0.686 176.785 176.094 0.008 0.000 1.071 618 V CA 0.062 62.384 62.300 0.037 0.000 1.199 618 V CB 0.309 32.171 31.823 0.065 0.000 0.900 618 V HN 0.374 nan 8.190 nan 0.000 0.494 619 K N 2.731 123.137 120.400 0.010 0.000 2.348 619 K HA 0.263 4.584 4.320 0.001 0.000 0.194 619 K C 0.744 177.345 176.600 0.003 0.000 1.052 619 K CA 0.049 56.339 56.287 0.004 0.000 1.004 619 K CB 0.374 32.876 32.500 0.003 0.000 0.873 619 K HN 0.623 nan 8.250 nan 0.000 0.523 620 R N 2.576 123.079 120.500 0.006 0.000 3.070 620 R HA 0.119 4.460 4.340 0.001 0.000 0.252 620 R C -2.034 174.258 176.300 -0.012 0.000 1.370 620 R CA -1.331 54.769 56.100 0.000 0.000 1.482 620 R CB 0.479 30.783 30.300 0.006 0.000 1.220 620 R HN 0.044 nan 8.270 nan 0.000 0.622 621 P HA -0.191 nan 4.420 nan 0.000 0.223 621 P C -0.130 177.126 177.300 -0.074 0.000 1.140 621 P CA 1.253 64.324 63.100 -0.048 0.000 0.783 621 P CB 0.439 32.118 31.700 -0.034 0.000 0.759 622 D N 0.198 120.569 120.400 -0.049 0.000 2.144 622 D HA -0.122 4.519 4.640 0.001 0.000 0.200 622 D C 2.098 178.348 176.300 -0.083 0.000 0.978 622 D CA 1.272 55.239 54.000 -0.056 0.000 0.833 622 D CB -0.959 39.828 40.800 -0.022 0.000 0.961 622 D HN 0.130 nan 8.370 nan 0.000 0.470 623 V N -0.220 119.663 119.914 -0.052 0.000 2.527 623 V HA -0.256 3.864 4.120 0.001 0.000 0.255 623 V C 1.883 177.908 176.094 -0.115 0.000 1.081 623 V CA 1.444 63.735 62.300 -0.014 0.000 1.092 623 V CB -1.096 30.782 31.823 0.090 0.000 0.673 623 V HN 0.215 nan 8.190 nan 0.000 0.470 624 L N -0.435 120.613 121.223 -0.291 0.000 2.549 624 L HA -0.018 4.323 4.340 0.001 0.000 0.229 624 L C 2.451 179.107 176.870 -0.357 0.000 1.158 624 L CA 1.319 55.848 54.840 -0.519 0.000 0.842 624 L CB -0.714 41.070 42.059 -0.458 0.000 0.952 624 L HN 0.335 nan 8.230 nan 0.000 0.452 625 K N 0.285 120.477 120.400 -0.347 0.000 2.444 625 K HA 0.233 4.554 4.320 0.001 0.000 0.193 625 K C 0.924 177.390 176.600 -0.223 0.000 1.024 625 K CA -0.096 55.833 56.287 -0.598 0.000 1.077 625 K CB 0.266 32.449 32.500 -0.529 0.000 0.833 625 K HN 0.231 nan 8.250 nan 0.000 0.517 626 A N 1.595 124.371 122.820 -0.073 0.000 2.313 626 A HA 0.236 4.557 4.320 0.001 0.000 0.261 626 A C -0.014 177.597 177.584 0.046 0.000 1.090 626 A CA -0.410 51.644 52.037 0.028 0.000 0.807 626 A CB 0.305 19.342 19.000 0.061 0.000 1.055 626 A HN 0.220 nan 8.150 nan 0.000 0.492 627 R N -0.385 120.150 120.500 0.058 0.000 2.679 627 R HA 0.168 4.509 4.340 0.001 0.000 0.268 627 R C -0.694 175.604 176.300 -0.003 0.000 1.044 627 R CA 0.081 56.195 56.100 0.024 0.000 1.105 627 R CB 0.017 30.386 30.300 0.116 0.000 0.989 627 R HN 0.614 nan 8.270 nan 0.000 0.447 628 L N 3.703 124.851 121.223 -0.125 0.000 2.369 628 L HA 0.105 4.446 4.340 0.001 0.000 0.279 628 L C -0.184 176.684 176.870 -0.004 0.000 1.108 628 L CA 0.258 55.016 54.840 -0.136 0.000 0.852 628 L CB 0.369 42.278 42.059 -0.251 0.000 1.169 628 L HN 0.462 nan 8.230 nan 0.000 0.452 629 W N 7.363 128.537 121.300 -0.211 0.000 2.413 629 W HA 0.529 5.190 4.660 0.001 0.000 0.308 629 W C -1.287 175.017 176.519 -0.359 0.000 0.997 629 W CA -0.584 56.637 57.345 -0.207 0.000 1.447 629 W CB 1.248 30.625 29.460 -0.138 0.000 1.263 629 W HN 0.366 nan 8.180 nan 0.000 0.416 630 I N 4.052 124.189 120.570 -0.721 0.000 2.569 630 I HA 0.376 4.547 4.170 0.001 0.000 0.296 630 I C -0.239 175.213 176.117 -1.109 0.000 1.028 630 I CA -0.629 60.168 61.300 -0.839 0.000 1.082 630 I CB 2.544 40.032 38.000 -0.852 0.000 1.264 630 I HN 0.234 nan 8.210 nan 0.000 0.429 631 E N 5.925 125.505 120.200 -1.033 0.000 2.291 631 E HA 0.405 4.756 4.350 0.001 0.000 0.276 631 E C -1.948 174.229 176.600 -0.705 0.000 0.896 631 E CA -0.533 55.283 56.400 -0.972 0.000 0.774 631 E CB 1.725 30.955 29.700 -0.784 0.000 1.227 631 E HN 0.344 nan 8.360 nan 0.000 0.413 632 F N 1.682 121.471 119.950 -0.269 0.000 2.422 632 F HA 0.340 4.868 4.527 0.001 0.000 0.333 632 F C 1.163 176.859 175.800 -0.173 0.000 1.095 632 F CA -0.919 56.960 58.000 -0.201 0.000 1.038 632 F CB 1.053 39.986 39.000 -0.113 0.000 1.156 632 F HN 0.328 nan 8.300 nan 0.000 0.483 633 E N 1.552 121.718 120.200 -0.058 0.000 2.773 633 E HA 0.092 4.443 4.350 0.001 0.000 0.302 633 E C -0.017 176.626 176.600 0.072 0.000 1.574 633 E CA 0.116 56.491 56.400 -0.042 0.000 1.775 633 E CB -0.092 29.517 29.700 -0.152 0.000 1.413 633 E HN 0.846 nan 8.360 nan 0.000 0.471 634 S N -0.299 115.457 115.700 0.094 0.000 4.471 634 S HA 0.061 4.532 4.470 0.001 0.000 0.191 634 S C 0.339 174.973 174.600 0.057 0.000 1.128 634 S CA -0.564 57.680 58.200 0.074 0.000 1.153 634 S CB 0.621 63.848 63.200 0.046 0.000 1.583 634 S HN 0.057 nan 8.310 nan 0.000 0.590 635 E N 2.673 122.909 120.200 0.060 0.000 1.993 635 E HA 0.333 4.684 4.350 0.001 0.000 0.271 635 E C -0.942 175.739 176.600 0.134 0.000 1.008 635 E CA -0.149 56.290 56.400 0.064 0.000 0.814 635 E CB 0.691 30.387 29.700 -0.006 0.000 1.098 635 E HN 0.202 nan 8.360 nan 0.000 0.407 636 K N 1.573 122.037 120.400 0.107 0.000 2.502 636 K HA 0.202 4.523 4.320 0.001 0.000 0.244 636 K C 0.318 177.007 176.600 0.147 0.000 1.249 636 K CA -0.284 56.081 56.287 0.130 0.000 1.193 636 K CB 0.257 32.818 32.500 0.100 0.000 1.674 636 K HN 0.358 nan 8.250 nan 0.000 0.302 637 G N 1.285 110.192 108.800 0.178 0.000 2.319 637 G HA2 0.243 4.204 3.960 0.001 0.000 0.308 637 G HA3 0.243 4.204 3.960 0.001 0.000 0.308 637 G C -0.264 174.815 174.900 0.299 0.000 1.117 637 G CA -0.588 44.612 45.100 0.167 0.000 0.903 637 G HN 0.397 nan 8.290 nan 0.000 0.436 638 L N 2.573 123.887 121.223 0.151 0.000 2.437 638 L HA 0.310 4.651 4.340 0.001 0.000 0.243 638 L C 0.114 176.960 176.870 -0.039 0.000 1.346 638 L CA -0.022 54.793 54.840 -0.041 0.000 1.233 638 L CB -0.369 41.595 42.059 -0.159 0.000 1.436 638 L HN 0.482 nan 8.230 nan 0.000 0.416 639 D N 0.718 121.262 120.400 0.239 0.000 3.012 639 D HA 0.065 4.706 4.640 0.001 0.000 0.284 639 D C 0.557 176.928 176.300 0.119 0.000 1.259 639 D CA 0.936 55.007 54.000 0.117 0.000 1.036 639 D CB -0.070 40.781 40.800 0.086 0.000 1.167 639 D HN 0.438 nan 8.370 nan 0.000 0.429 640 Y N -0.661 119.398 120.300 -0.402 0.000 4.798 640 Y HA -0.257 4.294 4.550 0.002 0.000 0.237 640 Y C 1.405 176.802 175.900 -0.837 0.000 1.017 640 Y CA -0.065 57.530 58.100 -0.842 0.000 2.010 640 Y CB -1.419 36.295 38.460 -1.244 0.000 1.582 640 Y HN 0.242 nan 8.280 nan 0.000 0.621 641 G N -0.789 107.869 108.800 -0.236 0.000 2.907 641 G HA2 0.238 4.199 3.960 0.001 0.000 0.200 641 G HA3 0.238 4.199 3.960 0.001 0.000 0.200 641 G C 1.471 176.335 174.900 -0.060 0.000 1.101 641 G CA 0.396 45.429 45.100 -0.113 0.000 0.806 641 G HN 0.435 nan 8.290 nan 0.000 0.640 642 G N 1.098 109.884 108.800 -0.024 0.000 2.534 642 G HA2 -0.002 3.959 3.960 0.001 0.000 0.217 642 G HA3 -0.002 3.959 3.960 0.001 0.000 0.217 642 G C 1.765 176.686 174.900 0.035 0.000 1.128 642 G CA 1.566 46.681 45.100 0.024 0.000 0.784 642 G HN 0.873 nan 8.290 nan 0.000 0.542 643 V N -1.800 118.091 119.914 -0.039 0.000 3.383 643 V HA 0.318 4.439 4.120 0.001 0.000 0.272 643 V C 2.426 178.515 176.094 -0.010 0.000 1.181 643 V CA 1.347 63.633 62.300 -0.023 0.000 1.171 643 V CB -0.493 31.155 31.823 -0.292 0.000 0.800 643 V HN 0.315 nan 8.190 nan 0.000 0.515 644 A N 0.822 123.639 122.820 -0.006 0.000 1.903 644 A HA 0.073 4.393 4.320 0.001 0.000 0.213 644 A C 2.322 180.065 177.584 0.265 0.000 1.185 644 A CA 1.125 53.196 52.037 0.056 0.000 0.628 644 A CB -0.459 18.568 19.000 0.045 0.000 0.830 644 A HN 0.460 nan 8.150 nan 0.000 0.446 645 R N 0.379 121.031 120.500 0.252 0.000 2.096 645 R HA -0.145 4.196 4.340 0.001 0.000 0.235 645 R C 2.106 178.605 176.300 0.331 0.000 1.127 645 R CA 1.956 58.240 56.100 0.306 0.000 0.968 645 R CB -0.337 30.073 30.300 0.183 0.000 0.861 645 R HN 0.770 nan 8.270 nan 0.000 0.440 646 E N -1.359 119.006 120.200 0.275 0.000 2.028 646 E HA -0.222 4.129 4.350 0.001 0.000 0.190 646 E C 1.660 178.487 176.600 0.379 0.000 0.984 646 E CA 1.126 57.713 56.400 0.312 0.000 0.800 646 E CB -0.460 29.406 29.700 0.276 0.000 0.758 646 E HN 0.447 nan 8.360 nan 0.000 0.448 647 W N 0.499 121.886 121.300 0.145 0.000 2.296 647 W HA -0.258 4.403 4.660 0.001 0.000 0.296 647 W C 1.501 177.997 176.519 -0.040 0.000 1.220 647 W CA 1.852 59.212 57.345 0.024 0.000 1.223 647 W CB -0.373 28.955 29.460 -0.220 0.000 1.139 647 W HN 0.178 nan 8.180 nan 0.000 0.534 648 F N -1.468 118.529 119.950 0.079 0.000 2.179 648 F HA -0.037 4.491 4.527 0.001 0.000 0.292 648 F C 2.177 177.923 175.800 -0.090 0.000 1.089 648 F CA 1.421 59.347 58.000 -0.124 0.000 1.295 648 F CB -1.652 37.382 39.000 0.058 0.000 1.041 648 F HN -0.151 nan 8.300 nan 0.000 0.487 649 F N -0.317 119.718 119.950 0.142 0.000 2.333 649 F HA -0.141 4.387 4.527 0.002 0.000 0.300 649 F C 1.680 177.469 175.800 -0.018 0.000 1.083 649 F CA 1.110 59.141 58.000 0.052 0.000 1.395 649 F CB -0.111 38.931 39.000 0.070 0.000 1.056 649 F HN -0.102 nan 8.300 nan 0.000 0.529 650 L N -0.729 120.502 121.223 0.013 0.000 2.253 650 L HA 0.058 4.399 4.340 0.001 0.000 0.205 650 L C 1.940 178.685 176.870 -0.207 0.000 1.078 650 L CA 0.874 55.665 54.840 -0.081 0.000 0.805 650 L CB -0.782 41.320 42.059 0.071 0.000 0.963 650 L HN 0.235 nan 8.230 nan 0.000 0.459 651 L N -1.746 119.281 121.223 -0.327 0.000 2.240 651 L HA -0.017 4.324 4.340 0.001 0.000 0.211 651 L C 2.359 178.996 176.870 -0.387 0.000 1.106 651 L CA 1.231 55.836 54.840 -0.392 0.000 0.793 651 L CB -0.397 41.221 42.059 -0.734 0.000 0.927 651 L HN 0.112 nan 8.230 nan 0.000 0.446 652 S N -0.225 115.229 115.700 -0.411 0.000 2.348 652 S HA -0.149 4.322 4.470 0.001 0.000 0.221 652 S C 1.803 176.143 174.600 -0.433 0.000 1.033 652 S CA 1.091 58.986 58.200 -0.508 0.000 1.010 652 S CB -0.257 62.764 63.200 -0.298 0.000 0.891 652 S HN 0.362 nan 8.310 nan 0.000 0.442 653 K N 1.194 121.366 120.400 -0.380 0.000 2.366 653 K HA -0.098 4.223 4.320 0.001 0.000 0.202 653 K C 1.674 178.150 176.600 -0.206 0.000 1.045 653 K CA 0.953 57.062 56.287 -0.297 0.000 0.934 653 K CB -0.228 32.070 32.500 -0.337 0.000 0.746 653 K HN 0.464 nan 8.250 nan 0.000 0.470 654 E N -0.111 119.967 120.200 -0.203 0.000 2.065 654 E HA 0.082 4.433 4.350 0.001 0.000 0.191 654 E C 2.174 178.649 176.600 -0.210 0.000 0.960 654 E CA 0.454 56.769 56.400 -0.141 0.000 0.824 654 E CB -0.203 29.537 29.700 0.067 0.000 0.793 654 E HN 0.237 nan 8.360 nan 0.000 0.459 655 M N 0.451 119.945 119.600 -0.176 0.000 2.065 655 M HA -0.122 4.359 4.480 0.001 0.000 0.259 655 M C 1.045 177.225 176.300 -0.200 0.000 1.069 655 M CA 1.418 56.612 55.300 -0.177 0.000 1.110 655 M CB -0.377 31.843 32.600 -0.633 0.000 1.328 655 M HN -0.044 nan 8.290 nan 0.000 0.405 656 F N 0.921 120.732 119.950 -0.231 0.000 2.873 656 F HA 0.231 4.759 4.527 0.001 0.000 0.289 656 F C 0.655 176.256 175.800 -0.332 0.000 1.206 656 F CA -1.131 56.634 58.000 -0.392 0.000 1.401 656 F CB -1.553 37.109 39.000 -0.564 0.000 0.996 656 F HN 0.126 nan 8.300 nan 0.000 0.511 657 N N 2.147 120.780 118.700 -0.111 0.000 2.422 657 N HA 0.159 4.900 4.740 0.001 0.000 0.266 657 N C -2.093 173.204 175.510 -0.356 0.000 1.007 657 N CA -1.751 51.173 53.050 -0.210 0.000 0.941 657 N CB 2.008 40.441 38.487 -0.089 0.000 1.115 657 N HN -0.063 nan 8.380 nan 0.000 0.492 658 P HA -0.055 nan 4.420 nan 0.000 0.226 658 P C -0.220 176.536 177.300 -0.906 0.000 1.146 658 P CA 1.256 63.755 63.100 -1.001 0.000 0.773 658 P CB -0.062 30.715 31.700 -1.538 0.000 0.772 659 Y N -5.118 115.127 120.300 -0.092 0.000 2.467 659 Y HA 0.203 4.754 4.550 0.001 0.000 0.250 659 Y C 1.824 177.685 175.900 -0.065 0.000 1.155 659 Y CA -0.472 57.586 58.100 -0.070 0.000 1.249 659 Y CB -0.495 37.929 38.460 -0.060 0.000 1.146 659 Y HN -0.099 nan 8.280 nan 0.000 0.524 660 Y N 0.835 121.074 120.300 -0.101 0.000 2.420 660 Y HA 0.245 4.796 4.550 0.002 0.000 0.292 660 Y C 2.002 177.818 175.900 -0.141 0.000 1.119 660 Y CA 1.207 59.216 58.100 -0.151 0.000 1.229 660 Y CB 0.023 38.332 38.460 -0.253 0.000 1.026 660 Y HN 0.203 nan 8.280 nan 0.000 0.554 661 G N -0.626 108.134 108.800 -0.067 0.000 2.195 661 G HA2 -0.263 3.698 3.960 0.001 0.000 0.224 661 G HA3 -0.263 3.698 3.960 0.001 0.000 0.224 661 G C 0.985 175.874 174.900 -0.018 0.000 0.990 661 G CA 0.371 45.413 45.100 -0.097 0.000 0.639 661 G HN 0.387 nan 8.290 nan 0.000 0.514 662 L N -1.182 120.096 121.223 0.092 0.000 2.127 662 L HA 0.412 4.753 4.340 0.001 0.000 0.203 662 L C 1.136 177.975 176.870 -0.053 0.000 1.080 662 L CA 0.931 55.792 54.840 0.034 0.000 0.768 662 L CB -0.096 42.032 42.059 0.115 0.000 0.924 662 L HN 0.198 nan 8.230 nan 0.000 0.444 663 F N -1.042 118.945 119.950 0.061 0.000 2.631 663 F HA 0.403 4.931 4.527 0.002 0.000 0.328 663 F C 0.074 175.773 175.800 -0.168 0.000 1.067 663 F CA -0.965 57.027 58.000 -0.014 0.000 0.969 663 F CB 1.637 40.619 39.000 -0.030 0.000 1.332 663 F HN -0.087 nan 8.300 nan 0.000 0.490 664 E N -0.628 119.559 120.200 -0.022 0.000 2.460 664 E HA 0.439 4.790 4.350 0.001 0.000 0.277 664 E C -2.082 174.425 176.600 -0.156 0.000 1.010 664 E CA -0.974 55.310 56.400 -0.194 0.000 0.838 664 E CB 1.608 31.234 29.700 -0.123 0.000 1.448 664 E HN 0.343 nan 8.360 nan 0.000 0.462 665 Y N 1.209 121.438 120.300 -0.119 0.000 2.304 665 Y HA 0.114 4.664 4.550 0.001 0.000 0.328 665 Y C 1.854 177.693 175.900 -0.102 0.000 1.123 665 Y CA -0.171 57.861 58.100 -0.113 0.000 1.218 665 Y CB 1.850 40.245 38.460 -0.109 0.000 1.207 665 Y HN 0.771 nan 8.280 nan 0.000 0.495 666 S N 1.654 117.406 115.700 0.086 0.000 2.383 666 S HA 0.082 4.553 4.470 0.001 0.000 0.229 666 S C 0.723 175.310 174.600 -0.022 0.000 1.030 666 S CA 0.760 58.970 58.200 0.017 0.000 1.002 666 S CB -0.155 63.052 63.200 0.012 0.000 0.829 666 S HN 0.704 nan 8.310 nan 0.000 0.467 667 A N -0.092 122.691 122.820 -0.062 0.000 2.569 667 A HA 0.661 4.982 4.320 0.001 0.000 0.290 667 A C 0.841 178.328 177.584 -0.160 0.000 1.136 667 A CA -0.132 51.842 52.037 -0.105 0.000 0.710 667 A CB 0.304 19.221 19.000 -0.137 0.000 1.303 667 A HN 0.114 nan 8.150 nan 0.000 0.413 668 T N 0.580 115.041 114.554 -0.155 0.000 2.962 668 T HA -0.041 4.310 4.350 0.001 0.000 0.270 668 T C 0.354 174.846 174.700 -0.347 0.000 1.088 668 T CA 1.705 63.674 62.100 -0.219 0.000 1.127 668 T CB -0.357 68.424 68.868 -0.145 0.000 0.883 668 T HN 0.744 nan 8.240 nan 0.000 0.493 669 D N -0.281 119.896 120.400 -0.373 0.000 2.895 669 D HA 0.225 4.866 4.640 0.001 0.000 0.350 669 D C 0.215 175.981 176.300 -0.889 0.000 1.389 669 D CA -0.325 53.344 54.000 -0.552 0.000 0.812 669 D CB 0.063 40.740 40.800 -0.205 0.000 1.164 669 D HN 0.049 nan 8.370 nan 0.000 0.455 670 N N -0.200 117.898 118.700 -1.004 0.000 2.360 670 N HA 0.048 4.789 4.740 0.001 0.000 0.211 670 N C -0.051 175.013 175.510 -0.742 0.000 1.147 670 N CA 0.002 52.617 53.050 -0.724 0.000 0.866 670 N CB 0.096 38.378 38.487 -0.341 0.000 1.206 670 N HN 0.171 nan 8.380 nan 0.000 0.478 671 Y N -0.561 119.384 120.300 -0.593 0.000 4.705 671 Y HA -0.297 4.254 4.550 0.001 0.000 0.226 671 Y C -0.285 175.502 175.900 -0.189 0.000 1.039 671 Y CA 0.762 58.370 58.100 -0.820 0.000 1.968 671 Y CB -2.791 35.338 38.460 -0.551 0.000 1.614 671 Y HN 0.022 nan 8.280 nan 0.000 0.619 672 T N -0.597 113.953 114.554 -0.007 0.000 2.744 672 T HA 0.671 5.022 4.350 0.001 0.000 0.291 672 T C 0.088 174.798 174.700 0.016 0.000 0.957 672 T CA -0.978 61.132 62.100 0.017 0.000 1.002 672 T CB 1.674 70.537 68.868 -0.009 0.000 0.919 672 T HN 0.247 nan 8.240 nan 0.000 0.468 673 L N 2.903 124.021 121.223 -0.176 0.000 2.472 673 L HA 0.466 4.807 4.340 0.001 0.000 0.260 673 L C 0.615 177.409 176.870 -0.126 0.000 1.209 673 L CA -0.260 54.434 54.840 -0.243 0.000 0.817 673 L CB 0.286 41.938 42.059 -0.678 0.000 1.106 673 L HN 0.882 nan 8.230 nan 0.000 0.479 674 Q N 0.561 120.381 119.800 0.033 0.000 2.527 674 Q HA 0.462 4.803 4.340 0.001 0.000 0.280 674 Q C -1.324 174.698 176.000 0.037 0.000 0.977 674 Q CA -0.878 54.962 55.803 0.063 0.000 0.837 674 Q CB 1.261 30.020 28.738 0.036 0.000 1.454 674 Q HN 0.448 nan 8.270 nan 0.000 0.387 675 I N 2.509 123.022 120.570 -0.095 0.000 2.683 675 I HA -0.008 4.163 4.170 0.001 0.000 0.286 675 I C 0.304 176.314 176.117 -0.179 0.000 1.175 675 I CA -0.086 61.029 61.300 -0.308 0.000 1.429 675 I CB 0.114 37.924 38.000 -0.317 0.000 1.371 675 I HN 0.622 nan 8.210 nan 0.000 0.569 676 N N 10.100 128.710 118.700 -0.150 0.000 2.405 676 N HA 0.114 4.855 4.740 0.001 0.000 0.260 676 N C -1.433 174.037 175.510 -0.067 0.000 1.152 676 N CA -2.123 50.875 53.050 -0.087 0.000 0.948 676 N CB 1.131 39.588 38.487 -0.050 0.000 1.111 676 N HN 0.323 nan 8.380 nan 0.000 0.485 677 P HA -0.125 nan 4.420 nan 0.000 0.218 677 P C -0.268 177.009 177.300 -0.038 0.000 1.148 677 P CA 1.320 64.361 63.100 -0.099 0.000 0.822 677 P CB 0.246 31.839 31.700 -0.178 0.000 0.784 678 N N -0.396 118.280 118.700 -0.041 0.000 2.455 678 N HA 0.046 4.787 4.740 0.001 0.000 0.258 678 N C 1.430 176.917 175.510 -0.038 0.000 1.158 678 N CA -0.164 52.865 53.050 -0.035 0.000 0.893 678 N CB 0.016 38.479 38.487 -0.040 0.000 1.173 678 N HN 0.155 nan 8.380 nan 0.000 0.503 679 S N -1.160 114.556 115.700 0.026 0.000 2.406 679 S HA -0.069 4.402 4.470 0.001 0.000 0.228 679 S C 2.161 176.672 174.600 -0.148 0.000 1.020 679 S CA 0.921 59.165 58.200 0.072 0.000 0.965 679 S CB -0.490 62.941 63.200 0.386 0.000 0.798 679 S HN 0.369 nan 8.310 nan 0.000 0.488 680 G N 2.182 110.753 108.800 -0.382 0.000 2.422 680 G HA2 -0.006 3.955 3.960 0.001 0.000 0.218 680 G HA3 -0.006 3.955 3.960 0.001 0.000 0.218 680 G C 1.272 175.921 174.900 -0.418 0.000 1.146 680 G CA 0.737 45.273 45.100 -0.940 0.000 0.769 680 G HN 0.556 nan 8.290 nan 0.000 0.547 681 L N 0.121 121.211 121.223 -0.223 0.000 2.675 681 L HA 0.155 4.496 4.340 0.001 0.000 0.239 681 L C 1.749 178.535 176.870 -0.140 0.000 1.151 681 L CA -0.459 54.295 54.840 -0.143 0.000 0.905 681 L CB -0.334 41.674 42.059 -0.085 0.000 1.057 681 L HN 0.272 nan 8.230 nan 0.000 0.435 682 C N -1.402 117.787 119.300 -0.185 0.000 2.662 682 C HA 0.191 4.651 4.460 0.001 0.000 0.307 682 C C 1.033 175.879 174.990 -0.239 0.000 1.796 682 C CA -0.310 58.594 59.018 -0.190 0.000 2.153 682 C CB 0.112 27.741 27.740 -0.186 0.000 1.725 682 C HN 0.388 nan 8.230 nan 0.000 0.733 683 N N 2.192 120.727 118.700 -0.275 0.000 2.426 683 N HA 0.158 4.899 4.740 0.001 0.000 0.275 683 N C 0.320 175.693 175.510 -0.229 0.000 1.019 683 N CA -0.055 52.817 53.050 -0.297 0.000 0.941 683 N CB 1.053 39.307 38.487 -0.389 0.000 1.123 683 N HN 0.486 nan 8.380 nan 0.000 0.486 684 E N 0.487 120.585 120.200 -0.170 0.000 2.333 684 E HA -0.149 4.202 4.350 0.001 0.000 0.198 684 E C -0.368 176.233 176.600 0.001 0.000 1.007 684 E CA 1.030 57.372 56.400 -0.096 0.000 0.845 684 E CB 0.142 29.805 29.700 -0.062 0.000 0.766 684 E HN 0.600 nan 8.360 nan 0.000 0.507 685 D N -1.686 118.750 120.400 0.060 0.000 2.785 685 D HA -0.039 4.602 4.640 0.001 0.000 0.324 685 D C 0.849 177.344 176.300 0.325 0.000 1.523 685 D CA -0.264 53.863 54.000 0.212 0.000 0.789 685 D CB -1.376 39.535 40.800 0.185 0.000 1.171 685 D HN 0.359 nan 8.370 nan 0.000 0.447 686 H N -0.120 118.973 119.070 0.040 0.000 2.444 686 H HA -0.201 4.356 4.556 0.001 0.000 0.294 686 H C 1.449 176.980 175.328 0.338 0.000 1.125 686 H CA 1.199 57.290 56.048 0.072 0.000 1.230 686 H CB -0.305 29.506 29.762 0.081 0.000 1.361 686 H HN 0.171 nan 8.280 nan 0.000 0.508 687 L N 0.410 121.717 121.223 0.140 0.000 2.042 687 L HA -0.203 4.138 4.340 0.001 0.000 0.210 687 L C 2.977 180.068 176.870 0.369 0.000 1.076 687 L CA 1.327 56.290 54.840 0.205 0.000 0.749 687 L CB -0.625 41.497 42.059 0.104 0.000 0.893 687 L HN 0.404 nan 8.230 nan 0.000 0.432 688 S N -0.965 114.975 115.700 0.399 0.000 2.382 688 S HA -0.191 4.280 4.470 0.001 0.000 0.228 688 S C 2.020 176.964 174.600 0.573 0.000 1.027 688 S CA 1.112 59.579 58.200 0.445 0.000 0.991 688 S CB -0.246 63.238 63.200 0.474 0.000 0.823 688 S HN 0.355 nan 8.310 nan 0.000 0.469 689 Y N 0.401 120.914 120.300 0.356 0.000 2.263 689 Y HA 0.081 4.632 4.550 0.002 0.000 0.292 689 Y C 1.904 178.030 175.900 0.377 0.000 1.130 689 Y CA 0.735 59.061 58.100 0.377 0.000 1.179 689 Y CB -0.719 37.840 38.460 0.166 0.000 0.998 689 Y HN 0.290 nan 8.280 nan 0.000 0.532 690 F N 0.054 120.312 119.950 0.514 0.000 2.075 690 F HA -0.250 4.277 4.527 0.001 0.000 0.297 690 F C 2.718 178.777 175.800 0.431 0.000 1.113 690 F CA 1.958 60.238 58.000 0.466 0.000 1.218 690 F CB -1.358 37.830 39.000 0.315 0.000 0.984 690 F HN 0.076 nan 8.300 nan 0.000 0.472 691 T N -1.347 113.514 114.554 0.511 0.000 2.737 691 T HA -0.325 4.026 4.350 0.001 0.000 0.269 691 T C 1.897 176.768 174.700 0.285 0.000 1.040 691 T CA 1.430 63.725 62.100 0.324 0.000 1.142 691 T CB -1.348 67.670 68.868 0.249 0.000 0.861 691 T HN 0.235 nan 8.240 nan 0.000 0.456 692 F N 2.615 122.696 119.950 0.219 0.000 2.046 692 F HA 0.042 4.570 4.527 0.001 0.000 0.297 692 F C 2.028 177.917 175.800 0.149 0.000 1.123 692 F CA 0.604 58.678 58.000 0.124 0.000 1.199 692 F CB -0.776 38.303 39.000 0.132 0.000 0.972 692 F HN 0.132 nan 8.300 nan 0.000 0.474 693 I N 0.484 120.962 120.570 -0.153 0.000 2.423 693 I HA -0.256 3.915 4.170 0.001 0.000 0.254 693 I C 2.602 178.802 176.117 0.138 0.000 1.151 693 I CA 1.317 62.550 61.300 -0.110 0.000 1.421 693 I CB -1.249 37.007 38.000 0.427 0.000 1.079 693 I HN 0.393 nan 8.210 nan 0.000 0.431 694 G N 0.280 109.147 108.800 0.112 0.000 2.395 694 G HA2 -0.199 3.761 3.960 0.001 0.000 0.214 694 G HA3 -0.199 3.761 3.960 0.001 0.000 0.214 694 G C 1.692 176.502 174.900 -0.150 0.000 1.177 694 G CA 0.225 45.170 45.100 -0.258 0.000 0.794 694 G HN 0.144 nan 8.290 nan 0.000 0.532 695 R N 0.283 120.736 120.500 -0.079 0.000 2.115 695 R HA -0.093 4.248 4.340 0.001 0.000 0.239 695 R C 2.747 179.004 176.300 -0.073 0.000 1.133 695 R CA 1.666 57.730 56.100 -0.061 0.000 0.935 695 R CB -1.090 29.231 30.300 0.034 0.000 0.853 695 R HN 0.220 nan 8.270 nan 0.000 0.433 696 V N 0.554 120.396 119.914 -0.121 0.000 2.220 696 V HA -0.308 3.813 4.120 0.001 0.000 0.246 696 V C 2.319 178.457 176.094 0.073 0.000 1.049 696 V CA 2.182 64.466 62.300 -0.027 0.000 1.003 696 V CB -1.185 30.461 31.823 -0.295 0.000 0.634 696 V HN 0.599 nan 8.190 nan 0.000 0.444 697 A N 0.482 123.353 122.820 0.084 0.000 1.893 697 A HA -0.339 3.982 4.320 0.001 0.000 0.222 697 A C 2.400 180.056 177.584 0.120 0.000 1.309 697 A CA 3.019 55.201 52.037 0.242 0.000 0.681 697 A CB -1.643 17.647 19.000 0.484 0.000 0.842 697 A HN 0.637 nan 8.150 nan 0.000 0.468 698 G N -0.940 107.757 108.800 -0.172 0.000 2.421 698 G HA2 -0.094 3.867 3.960 0.001 0.000 0.216 698 G HA3 -0.094 3.867 3.960 0.001 0.000 0.216 698 G C 1.439 176.217 174.900 -0.203 0.000 1.171 698 G CA 1.192 45.899 45.100 -0.655 0.000 0.775 698 G HN 0.670 nan 8.290 nan 0.000 0.543 699 L N 1.694 122.877 121.223 -0.067 0.000 2.103 699 L HA -0.118 4.222 4.340 0.001 0.000 0.215 699 L C 2.910 179.940 176.870 0.266 0.000 1.080 699 L CA 2.309 57.214 54.840 0.109 0.000 0.764 699 L CB -0.852 41.321 42.059 0.189 0.000 0.890 699 L HN 0.260 nan 8.230 nan 0.000 0.435 700 A N -1.605 121.300 122.820 0.142 0.000 1.930 700 A HA -0.084 4.237 4.320 0.001 0.000 0.217 700 A C 2.238 179.809 177.584 -0.021 0.000 1.175 700 A CA 1.671 53.583 52.037 -0.209 0.000 0.627 700 A CB -0.879 17.698 19.000 -0.705 0.000 0.815 700 A HN 0.324 nan 8.150 nan 0.000 0.443 701 V N -1.240 118.710 119.914 0.061 0.000 2.358 701 V HA -0.221 3.900 4.120 0.001 0.000 0.246 701 V C 2.236 178.463 176.094 0.222 0.000 1.047 701 V CA 1.895 64.286 62.300 0.152 0.000 1.035 701 V CB -0.978 30.955 31.823 0.183 0.000 0.658 701 V HN 0.660 nan 8.190 nan 0.000 0.452 702 F N 0.360 120.290 119.950 -0.033 0.000 2.095 702 F HA -0.230 4.298 4.527 0.001 0.000 0.298 702 F C 2.282 177.972 175.800 -0.184 0.000 1.104 702 F CA 1.741 59.642 58.000 -0.164 0.000 1.232 702 F CB -0.040 38.749 39.000 -0.351 0.000 0.987 702 F HN 0.262 nan 8.300 nan 0.000 0.475 703 H N 0.245 119.583 119.070 0.446 0.000 2.567 703 H HA 0.206 4.763 4.556 0.001 0.000 0.294 703 H C 1.541 177.012 175.328 0.238 0.000 1.050 703 H CA 0.535 56.782 56.048 0.333 0.000 1.168 703 H CB -0.640 29.293 29.762 0.286 0.000 1.422 703 H HN 0.436 nan 8.280 nan 0.000 0.562 704 G N 2.012 110.989 108.800 0.295 0.000 2.390 704 G HA2 -0.284 3.677 3.960 0.001 0.000 0.299 704 G HA3 -0.284 3.677 3.960 0.001 0.000 0.299 704 G C 0.243 175.251 174.900 0.180 0.000 1.002 704 G CA 0.401 45.658 45.100 0.262 0.000 0.979 704 G HN 0.205 nan 8.290 nan 0.000 0.513 705 K N -1.110 119.328 120.400 0.064 0.000 2.316 705 K HA 0.818 5.139 4.320 0.001 0.000 0.234 705 K C 0.462 176.970 176.600 -0.154 0.000 1.054 705 K CA -0.783 55.464 56.287 -0.065 0.000 0.879 705 K CB 1.410 33.745 32.500 -0.276 0.000 1.252 705 K HN 0.193 nan 8.250 nan 0.000 0.471 706 L N 1.387 122.521 121.223 -0.148 0.000 2.370 706 L HA 0.508 4.849 4.340 0.001 0.000 0.266 706 L C -0.293 176.533 176.870 -0.073 0.000 1.002 706 L CA -1.000 53.794 54.840 -0.078 0.000 0.818 706 L CB 1.548 43.617 42.059 0.016 0.000 1.325 706 L HN 0.262 nan 8.230 nan 0.000 0.418 707 L N 1.016 122.231 121.223 -0.014 0.000 2.421 707 L HA 0.398 4.739 4.340 0.001 0.000 0.263 707 L C -0.092 176.776 176.870 -0.004 0.000 1.122 707 L CA -0.370 54.513 54.840 0.071 0.000 0.804 707 L CB 1.131 43.348 42.059 0.264 0.000 1.150 707 L HN 0.576 nan 8.230 nan 0.000 0.457 708 D N 0.813 121.204 120.400 -0.016 0.000 2.233 708 D HA 0.514 5.155 4.640 0.001 0.000 0.240 708 D C -0.068 176.072 176.300 -0.266 0.000 1.074 708 D CA 0.453 54.350 54.000 -0.171 0.000 0.838 708 D CB 1.759 42.421 40.800 -0.229 0.000 1.124 708 D HN 0.699 nan 8.370 nan 0.000 0.475 709 G N 1.750 110.182 108.800 -0.613 0.000 2.570 709 G HA2 -0.002 3.959 3.960 0.001 0.000 0.686 709 G HA3 -0.002 3.959 3.960 0.001 0.000 0.686 709 G C -1.359 172.857 174.900 -1.139 0.000 1.257 709 G CA -0.907 43.764 45.100 -0.716 0.000 0.846 709 G HN 0.371 nan 8.290 nan 0.000 0.627 710 F N -0.970 118.686 119.950 -0.490 0.000 2.620 710 F HA 0.865 5.392 4.527 0.001 0.000 0.320 710 F C 0.258 175.637 175.800 -0.702 0.000 1.069 710 F CA -0.897 56.874 58.000 -0.382 0.000 0.953 710 F CB 1.798 40.760 39.000 -0.063 0.000 1.322 710 F HN 0.484 nan 8.300 nan 0.000 0.479 711 F N 1.035 120.958 119.950 -0.045 0.000 2.594 711 F HA 0.628 5.156 4.527 0.001 0.000 0.335 711 F C 0.304 176.018 175.800 -0.142 0.000 1.058 711 F CA -1.515 56.295 58.000 -0.316 0.000 0.981 711 F CB 1.089 39.613 39.000 -0.793 0.000 1.289 711 F HN 0.286 nan 8.300 nan 0.000 0.490 712 I N -0.490 120.098 120.570 0.031 0.000 2.754 712 I HA 0.272 4.443 4.170 0.001 0.000 0.285 712 I C 1.450 177.560 176.117 -0.012 0.000 1.166 712 I CA -0.568 60.725 61.300 -0.012 0.000 1.417 712 I CB 0.753 38.707 38.000 -0.077 0.000 1.382 712 I HN 0.750 nan 8.210 nan 0.000 0.588 713 R N 3.880 124.384 120.500 0.007 0.000 2.133 713 R HA -0.158 4.183 4.340 0.001 0.000 0.245 713 R C -0.642 175.642 176.300 -0.027 0.000 1.137 713 R CA 2.605 58.747 56.100 0.071 0.000 0.947 713 R CB -1.517 28.767 30.300 -0.027 0.000 0.865 713 R HN 0.643 nan 8.270 nan 0.000 0.437 714 P HA -0.222 nan 4.420 nan 0.000 0.218 714 P C 0.921 178.139 177.300 -0.136 0.000 1.152 714 P CA 1.336 64.305 63.100 -0.220 0.000 0.857 714 P CB -0.197 31.244 31.700 -0.432 0.000 0.787 715 F N -0.976 118.789 119.950 -0.309 0.000 2.046 715 F HA -0.277 4.250 4.527 0.001 0.000 0.297 715 F C 2.146 177.700 175.800 -0.411 0.000 1.123 715 F CA 1.694 59.440 58.000 -0.424 0.000 1.199 715 F CB -1.155 37.473 39.000 -0.620 0.000 0.972 715 F HN -0.110 nan 8.300 nan 0.000 0.474 716 Y N 0.733 120.961 120.300 -0.120 0.000 2.128 716 Y HA -0.229 4.322 4.550 0.002 0.000 0.284 716 Y C 2.451 178.222 175.900 -0.215 0.000 1.154 716 Y CA 1.811 59.790 58.100 -0.200 0.000 1.149 716 Y CB -1.143 37.270 38.460 -0.079 0.000 0.976 716 Y HN 0.043 nan 8.280 nan 0.000 0.505 717 K N -0.541 119.854 120.400 -0.008 0.000 2.152 717 K HA -0.229 4.092 4.320 0.001 0.000 0.206 717 K C 2.143 178.676 176.600 -0.111 0.000 1.048 717 K CA 1.750 58.006 56.287 -0.052 0.000 0.933 717 K CB -0.340 32.127 32.500 -0.054 0.000 0.721 717 K HN 0.343 nan 8.250 nan 0.000 0.447 718 M N 0.200 119.685 119.600 -0.191 0.000 2.200 718 M HA -0.106 4.374 4.480 0.001 0.000 0.265 718 M C 2.041 178.209 176.300 -0.221 0.000 1.066 718 M CA 1.439 56.615 55.300 -0.207 0.000 1.127 718 M CB 0.067 32.504 32.600 -0.273 0.000 1.379 718 M HN 0.133 nan 8.290 nan 0.000 0.420 719 M N -0.468 118.951 119.600 -0.301 0.000 2.077 719 M HA -0.207 4.273 4.480 0.001 0.000 0.261 719 M C 1.874 178.082 176.300 -0.153 0.000 1.070 719 M CA 1.553 56.687 55.300 -0.276 0.000 1.125 719 M CB -0.591 31.785 32.600 -0.372 0.000 1.339 719 M HN 0.245 nan 8.290 nan 0.000 0.409 720 L N -0.025 121.135 121.223 -0.106 0.000 2.349 720 L HA -0.091 4.249 4.340 0.001 0.000 0.220 720 L C 1.287 178.137 176.870 -0.034 0.000 1.130 720 L CA 0.786 55.601 54.840 -0.041 0.000 0.791 720 L CB -1.226 40.824 42.059 -0.015 0.000 0.918 720 L HN 0.729 nan 8.230 nan 0.000 0.444 721 G N 0.102 108.869 108.800 -0.054 0.000 2.149 721 G HA2 -0.225 3.736 3.960 0.001 0.000 0.235 721 G HA3 -0.225 3.736 3.960 0.001 0.000 0.235 721 G C 0.210 175.094 174.900 -0.027 0.000 1.018 721 G CA -0.152 44.926 45.100 -0.037 0.000 0.728 721 G HN 0.217 nan 8.290 nan 0.000 0.508 722 K N -0.198 120.182 120.400 -0.033 0.000 2.090 722 K HA 0.410 4.731 4.320 0.001 0.000 0.249 722 K C 0.494 177.080 176.600 -0.024 0.000 0.995 722 K CA -0.573 55.700 56.287 -0.023 0.000 0.914 722 K CB 1.229 33.715 32.500 -0.022 0.000 1.057 722 K HN 0.442 nan 8.250 nan 0.000 0.462 723 Q N 1.944 121.737 119.800 -0.012 0.000 2.230 723 Q HA 0.230 4.571 4.340 0.001 0.000 0.248 723 Q C -0.523 175.475 176.000 -0.005 0.000 0.915 723 Q CA -0.654 55.147 55.803 -0.003 0.000 0.900 723 Q CB 0.844 29.587 28.738 0.008 0.000 1.229 723 Q HN 0.332 nan 8.270 nan 0.000 0.439 724 I N 2.983 123.556 120.570 0.005 0.000 2.499 724 I HA 0.354 4.525 4.170 0.001 0.000 0.296 724 I C 0.537 176.680 176.117 0.044 0.000 0.992 724 I CA 0.076 61.380 61.300 0.007 0.000 1.297 724 I CB 0.999 39.014 38.000 0.024 0.000 1.410 724 I HN 0.862 nan 8.210 nan 0.000 0.507 725 T N 1.578 116.162 114.554 0.050 0.000 2.731 725 T HA 0.316 4.667 4.350 0.001 0.000 0.300 725 T C 0.592 175.368 174.700 0.126 0.000 1.283 725 T CA -0.710 61.441 62.100 0.085 0.000 1.005 725 T CB 1.137 70.044 68.868 0.066 0.000 1.420 725 T HN 0.286 nan 8.240 nan 0.000 0.503 726 L N 1.292 122.609 121.223 0.157 0.000 2.081 726 L HA -0.031 4.310 4.340 0.001 0.000 0.212 726 L C 2.145 179.182 176.870 0.280 0.000 1.080 726 L CA 2.007 56.990 54.840 0.239 0.000 0.754 726 L CB -1.282 40.914 42.059 0.229 0.000 0.893 726 L HN 0.778 nan 8.230 nan 0.000 0.433 727 N N -0.591 118.215 118.700 0.177 0.000 2.223 727 N HA -0.195 4.546 4.740 0.001 0.000 0.185 727 N C 1.085 176.518 175.510 -0.128 0.000 1.016 727 N CA 1.376 54.452 53.050 0.043 0.000 0.863 727 N CB -0.070 38.437 38.487 0.034 0.000 0.983 727 N HN 0.535 nan 8.380 nan 0.000 0.429 728 D N 0.432 120.791 120.400 -0.067 0.000 2.350 728 D HA -0.105 4.536 4.640 0.001 0.000 0.216 728 D C 0.847 177.031 176.300 -0.195 0.000 0.968 728 D CA 0.521 54.430 54.000 -0.151 0.000 0.894 728 D CB 0.095 40.791 40.800 -0.174 0.000 0.909 728 D HN 0.324 nan 8.370 nan 0.000 0.520 729 M N 1.096 120.667 119.600 -0.048 0.000 3.371 729 M HA 0.081 4.562 4.480 0.001 0.000 0.212 729 M C 0.559 176.846 176.300 -0.021 0.000 1.200 729 M CA 0.101 55.452 55.300 0.085 0.000 1.211 729 M CB 0.304 33.157 32.600 0.420 0.000 1.210 729 M HN -0.199 nan 8.290 nan 0.000 0.601 730 E N -0.907 119.157 120.200 -0.226 0.000 2.576 730 E HA 0.015 4.366 4.350 0.001 0.000 0.214 730 E C 1.085 177.593 176.600 -0.154 0.000 0.859 730 E CA 0.654 56.855 56.400 -0.331 0.000 1.399 730 E CB 0.441 29.630 29.700 -0.852 0.000 1.374 730 E HN 0.625 nan 8.360 nan 0.000 0.718 731 S N -0.428 115.187 115.700 -0.141 0.000 2.458 731 S HA 0.028 4.499 4.470 0.001 0.000 0.223 731 S C 1.778 176.339 174.600 -0.065 0.000 1.019 731 S CA 0.613 58.754 58.200 -0.098 0.000 0.937 731 S CB 0.403 63.539 63.200 -0.106 0.000 0.788 731 S HN 0.106 nan 8.310 nan 0.000 0.511 732 V N 1.112 120.999 119.914 -0.046 0.000 2.426 732 V HA 0.220 4.341 4.120 0.001 0.000 0.242 732 V C 0.388 176.500 176.094 0.029 0.000 1.036 732 V CA 1.170 63.472 62.300 0.003 0.000 1.044 732 V CB -0.407 31.461 31.823 0.075 0.000 0.688 732 V HN 0.467 nan 8.190 nan 0.000 0.462 733 D N -1.297 119.143 120.400 0.068 0.000 2.337 733 D HA 0.257 4.897 4.640 0.001 0.000 0.238 733 D C 0.799 177.204 176.300 0.175 0.000 1.331 733 D CA 0.058 54.118 54.000 0.100 0.000 0.967 733 D CB 1.467 42.327 40.800 0.100 0.000 1.382 733 D HN 0.003 nan 8.370 nan 0.000 0.549 734 S N 1.894 117.674 115.700 0.133 0.000 2.359 734 S HA -0.210 4.260 4.470 0.001 0.000 0.222 734 S C 1.567 176.308 174.600 0.236 0.000 1.038 734 S CA 1.195 59.505 58.200 0.184 0.000 1.051 734 S CB -0.028 63.241 63.200 0.116 0.000 0.944 734 S HN 0.596 nan 8.310 nan 0.000 0.433 735 E N -0.488 119.809 120.200 0.161 0.000 2.267 735 E HA -0.181 4.170 4.350 0.001 0.000 0.197 735 E C 1.732 178.417 176.600 0.141 0.000 0.998 735 E CA 1.055 57.526 56.400 0.119 0.000 0.830 735 E CB -0.182 29.559 29.700 0.067 0.000 0.751 735 E HN 0.591 nan 8.360 nan 0.000 0.491 736 Y N -0.197 120.158 120.300 0.093 0.000 2.231 736 Y HA -0.202 4.349 4.550 0.001 0.000 0.294 736 Y C 2.157 178.141 175.900 0.140 0.000 1.120 736 Y CA 1.072 59.227 58.100 0.090 0.000 1.141 736 Y CB -0.300 38.214 38.460 0.090 0.000 1.022 736 Y HN 0.035 nan 8.280 nan 0.000 0.523 737 Y N 1.530 122.007 120.300 0.294 0.000 2.014 737 Y HA -0.376 4.175 4.550 0.001 0.000 0.272 737 Y C 2.232 178.225 175.900 0.154 0.000 1.164 737 Y CA 2.340 60.566 58.100 0.210 0.000 1.114 737 Y CB -1.076 37.471 38.460 0.146 0.000 0.961 737 Y HN 0.134 nan 8.280 nan 0.000 0.489 738 N N -0.007 118.690 118.700 -0.005 0.000 2.061 738 N HA -0.209 4.532 4.740 0.001 0.000 0.193 738 N C 1.989 177.462 175.510 -0.061 0.000 1.030 738 N CA 1.959 54.930 53.050 -0.131 0.000 0.856 738 N CB -0.664 37.833 38.487 0.018 0.000 1.023 738 N HN 0.394 nan 8.380 nan 0.000 0.424 739 S N 1.225 116.905 115.700 -0.034 0.000 2.383 739 S HA -0.013 4.458 4.470 0.001 0.000 0.229 739 S C 2.141 176.752 174.600 0.019 0.000 1.030 739 S CA 0.577 58.745 58.200 -0.054 0.000 1.002 739 S CB -0.157 62.936 63.200 -0.178 0.000 0.829 739 S HN 0.265 nan 8.310 nan 0.000 0.467 740 L N 0.919 122.148 121.223 0.010 0.000 2.072 740 L HA -0.021 4.320 4.340 0.001 0.000 0.205 740 L C 2.542 179.432 176.870 0.034 0.000 1.079 740 L CA 1.105 55.983 54.840 0.062 0.000 0.752 740 L CB -0.298 41.844 42.059 0.138 0.000 0.906 740 L HN 0.242 nan 8.230 nan 0.000 0.436 741 K N -0.821 119.523 120.400 -0.094 0.000 2.209 741 K HA -0.249 4.072 4.320 0.001 0.000 0.204 741 K C 1.987 178.571 176.600 -0.026 0.000 1.048 741 K CA 1.332 57.528 56.287 -0.152 0.000 0.940 741 K CB -0.124 32.118 32.500 -0.430 0.000 0.729 741 K HN 0.290 nan 8.250 nan 0.000 0.451 742 W N 1.041 122.266 121.300 -0.125 0.000 2.407 742 W HA -0.136 4.525 4.660 0.001 0.000 0.305 742 W C 1.455 177.938 176.519 -0.060 0.000 1.196 742 W CA 0.695 57.990 57.345 -0.085 0.000 1.311 742 W CB -0.012 29.399 29.460 -0.081 0.000 1.135 742 W HN -0.087 nan 8.180 nan 0.000 0.514 743 I N 0.888 121.630 120.570 0.287 0.000 2.236 743 I HA -0.289 3.882 4.170 0.001 0.000 0.249 743 I C 2.298 178.398 176.117 -0.027 0.000 1.102 743 I CA 1.454 62.849 61.300 0.157 0.000 1.365 743 I CB -1.727 36.384 38.000 0.185 0.000 1.051 743 I HN 0.154 nan 8.210 nan 0.000 0.420 744 L N 0.884 122.089 121.223 -0.029 0.000 2.156 744 L HA -0.110 4.230 4.340 0.001 0.000 0.208 744 L C 1.856 178.651 176.870 -0.125 0.000 1.095 744 L CA 1.763 56.572 54.840 -0.052 0.000 0.770 744 L CB -0.417 41.628 42.059 -0.024 0.000 0.914 744 L HN 0.233 nan 8.230 nan 0.000 0.439 745 E N -0.790 119.277 120.200 -0.221 0.000 2.499 745 E HA 0.197 4.548 4.350 0.001 0.000 0.199 745 E C -0.253 176.101 176.600 -0.411 0.000 1.016 745 E CA -0.167 56.076 56.400 -0.262 0.000 0.933 745 E CB 0.219 29.788 29.700 -0.218 0.000 1.050 745 E HN 0.505 nan 8.360 nan 0.000 0.462 746 N N 0.308 118.682 118.700 -0.544 0.000 3.157 746 N HA 0.122 4.863 4.740 0.001 0.000 0.291 746 N C -1.475 173.786 175.510 -0.414 0.000 1.515 746 N CA -0.609 52.042 53.050 -0.664 0.000 0.807 746 N CB 1.817 39.401 38.487 -1.505 0.000 1.672 746 N HN -0.077 nan 8.380 nan 0.000 0.592 747 D N 1.369 121.580 120.400 -0.316 0.000 2.274 747 D HA 0.258 4.899 4.640 0.001 0.000 0.239 747 D C -1.790 174.472 176.300 -0.064 0.000 1.104 747 D CA -1.546 52.367 54.000 -0.144 0.000 0.840 747 D CB 1.523 42.273 40.800 -0.083 0.000 1.100 747 D HN 0.228 nan 8.370 nan 0.000 0.477 748 P HA 0.038 nan 4.420 nan 0.000 0.268 748 P C 0.992 178.295 177.300 0.005 0.000 1.329 748 P CA 0.126 63.259 63.100 0.055 0.000 0.899 748 P CB 0.200 31.904 31.700 0.006 0.000 1.378 749 T N -0.754 113.794 114.554 -0.011 0.000 2.803 749 T HA -0.213 4.138 4.350 0.001 0.000 0.269 749 T C 1.753 176.445 174.700 -0.014 0.000 1.052 749 T CA 1.508 63.593 62.100 -0.024 0.000 1.136 749 T CB -0.820 68.036 68.868 -0.019 0.000 0.864 749 T HN 0.390 nan 8.240 nan 0.000 0.467 750 E N 1.432 121.640 120.200 0.015 0.000 2.216 750 E HA 0.003 4.353 4.350 0.001 0.000 0.192 750 E C 2.056 178.650 176.600 -0.009 0.000 0.988 750 E CA 0.440 56.846 56.400 0.010 0.000 0.834 750 E CB -0.584 29.136 29.700 0.034 0.000 0.772 750 E HN 0.491 nan 8.360 nan 0.000 0.479 751 L N 1.329 122.549 121.223 -0.005 0.000 2.622 751 L HA -0.020 4.321 4.340 0.001 0.000 0.233 751 L C 0.242 177.068 176.870 -0.072 0.000 1.156 751 L CA 0.445 55.257 54.840 -0.045 0.000 0.866 751 L CB -0.764 41.274 42.059 -0.036 0.000 0.980 751 L HN 0.149 nan 8.230 nan 0.000 0.448 752 D N 1.055 121.414 120.400 -0.069 0.000 2.755 752 D HA -0.212 4.428 4.640 0.001 0.000 0.227 752 D C -0.031 176.201 176.300 -0.113 0.000 1.211 752 D CA 0.517 54.468 54.000 -0.081 0.000 0.663 752 D CB -0.625 40.139 40.800 -0.059 0.000 0.983 752 D HN 0.182 nan 8.370 nan 0.000 0.407 753 L N 0.361 121.481 121.223 -0.171 0.000 2.456 753 L HA 0.487 4.828 4.340 0.001 0.000 0.257 753 L C 0.886 177.599 176.870 -0.262 0.000 1.162 753 L CA -0.607 54.089 54.840 -0.239 0.000 0.808 753 L CB 0.785 42.617 42.059 -0.378 0.000 1.136 753 L HN 0.137 nan 8.230 nan 0.000 0.466 754 M N 0.329 119.782 119.600 -0.246 0.000 2.619 754 M HA 0.289 4.769 4.480 0.001 0.000 0.297 754 M C -0.771 175.427 176.300 -0.169 0.000 1.229 754 M CA -0.395 54.809 55.300 -0.159 0.000 0.860 754 M CB 1.694 34.263 32.600 -0.051 0.000 1.741 754 M HN 0.220 nan 8.290 nan 0.000 0.462 755 F N 2.294 122.212 119.950 -0.054 0.000 2.651 755 F HA 0.223 4.751 4.527 0.003 0.000 0.369 755 F C 0.637 176.448 175.800 0.018 0.000 1.187 755 F CA 0.030 58.062 58.000 0.053 0.000 1.335 755 F CB -0.221 38.804 39.000 0.042 0.000 1.707 755 F HN 0.592 nan 8.300 nan 0.000 0.637 756 C N -0.726 118.631 119.300 0.095 0.000 3.320 756 C HA 0.837 5.298 4.460 0.001 0.000 0.335 756 C C -0.468 174.440 174.990 -0.136 0.000 1.430 756 C CA -1.395 57.600 59.018 -0.039 0.000 1.271 756 C CB 1.137 28.857 27.740 -0.033 0.000 1.609 756 C HN 0.274 nan 8.230 nan 0.000 0.457 757 I N 0.127 120.540 120.570 -0.261 0.000 3.516 757 I HA 0.598 4.769 4.170 0.001 0.000 0.302 757 I C -1.243 174.729 176.117 -0.241 0.000 1.143 757 I CA -0.404 60.712 61.300 -0.307 0.000 1.003 757 I CB 1.856 39.470 38.000 -0.644 0.000 1.347 757 I HN 0.608 nan 8.210 nan 0.000 0.486 758 D N 1.549 121.825 120.400 -0.207 0.000 2.649 758 D HA 0.452 5.092 4.640 0.001 0.000 0.249 758 D C -0.978 175.178 176.300 -0.239 0.000 1.112 758 D CA -0.341 53.534 54.000 -0.207 0.000 0.850 758 D CB 2.247 42.974 40.800 -0.122 0.000 1.399 758 D HN 0.278 nan 8.370 nan 0.000 0.503 759 E N 0.925 120.836 120.200 -0.481 0.000 2.281 759 E HA 0.525 4.876 4.350 0.001 0.000 0.262 759 E C -0.491 175.908 176.600 -0.336 0.000 0.933 759 E CA -0.653 55.435 56.400 -0.521 0.000 0.809 759 E CB 2.321 31.390 29.700 -1.052 0.000 1.242 759 E HN 0.345 nan 8.360 nan 0.000 0.418 760 E N 0.654 120.807 120.200 -0.077 0.000 2.293 760 E HA 0.494 4.845 4.350 0.001 0.000 0.270 760 E C -0.987 175.643 176.600 0.051 0.000 0.879 760 E CA -0.762 55.663 56.400 0.041 0.000 0.756 760 E CB 2.343 32.053 29.700 0.017 0.000 1.208 760 E HN 0.576 nan 8.360 nan 0.000 0.428 761 N N 1.069 119.759 118.700 -0.017 0.000 2.666 761 N HA 0.218 4.959 4.740 0.001 0.000 0.260 761 N C -0.985 174.359 175.510 -0.276 0.000 1.077 761 N CA -0.777 52.077 53.050 -0.327 0.000 1.026 761 N CB 0.600 38.689 38.487 -0.663 0.000 1.653 761 N HN 0.365 nan 8.380 nan 0.000 0.533 762 F N 1.398 121.378 119.950 0.050 0.000 3.074 762 F HA -0.127 4.401 4.527 0.001 0.000 0.287 762 F C 1.653 177.476 175.800 0.039 0.000 0.932 762 F CA 1.149 59.168 58.000 0.032 0.000 0.995 762 F CB -2.211 36.798 39.000 0.016 0.000 0.966 762 F HN 1.203 nan 8.300 nan 0.000 0.721 763 G N -0.705 108.203 108.800 0.180 0.000 2.196 763 G HA2 -0.341 3.620 3.960 0.001 0.000 0.268 763 G HA3 -0.341 3.620 3.960 0.001 0.000 0.268 763 G C 0.225 175.187 174.900 0.103 0.000 0.975 763 G CA 0.672 45.844 45.100 0.119 0.000 0.648 763 G HN 0.645 nan 8.290 nan 0.000 0.538 764 Q N 0.152 120.022 119.800 0.117 0.000 2.307 764 Q HA 0.578 4.919 4.340 0.001 0.000 0.262 764 Q C 0.010 176.090 176.000 0.133 0.000 0.961 764 Q CA -0.085 55.786 55.803 0.113 0.000 0.882 764 Q CB 1.870 30.679 28.738 0.119 0.000 1.264 764 Q HN 0.140 nan 8.270 nan 0.000 0.446 765 T N 3.239 117.854 114.554 0.103 0.000 2.727 765 T HA 0.400 4.751 4.350 0.001 0.000 0.298 765 T C -1.353 173.415 174.700 0.114 0.000 0.942 765 T CA -0.400 61.742 62.100 0.069 0.000 0.997 765 T CB -0.139 68.741 68.868 0.020 0.000 0.917 765 T HN 0.460 nan 8.240 nan 0.000 0.487 766 Y N 2.823 123.116 120.300 -0.012 0.000 2.341 766 Y HA 0.602 5.153 4.550 0.001 0.000 0.338 766 Y C -0.157 175.738 175.900 -0.010 0.000 0.965 766 Y CA -1.485 56.609 58.100 -0.010 0.000 1.108 766 Y CB 1.048 39.499 38.460 -0.014 0.000 1.180 766 Y HN 0.483 nan 8.280 nan 0.000 0.458 767 Q N 3.749 123.544 119.800 -0.009 0.000 2.295 767 Q HA 0.502 4.843 4.340 0.001 0.000 0.259 767 Q C -0.923 175.058 176.000 -0.032 0.000 0.976 767 Q CA -0.728 55.030 55.803 -0.074 0.000 0.923 767 Q CB 1.169 29.891 28.738 -0.027 0.000 1.185 767 Q HN 0.846 nan 8.270 nan 0.000 0.410 768 V N 2.174 122.019 119.914 -0.116 0.000 2.555 768 V HA 0.452 4.573 4.120 0.001 0.000 0.302 768 V C -0.862 175.162 176.094 -0.116 0.000 1.038 768 V CA -0.944 61.317 62.300 -0.065 0.000 0.887 768 V CB 1.931 33.729 31.823 -0.042 0.000 0.991 768 V HN 0.696 nan 8.190 nan 0.000 0.434 769 D N 4.255 124.626 120.400 -0.048 0.000 2.345 769 D HA 0.311 4.952 4.640 0.001 0.000 0.247 769 D C 1.008 177.271 176.300 -0.061 0.000 1.108 769 D CA 0.030 54.012 54.000 -0.031 0.000 0.894 769 D CB 2.088 42.891 40.800 0.006 0.000 1.203 769 D HN 0.597 nan 8.370 nan 0.000 0.430 770 L N 1.156 122.370 121.223 -0.015 0.000 2.209 770 L HA -0.007 4.334 4.340 0.001 0.000 0.207 770 L C 1.226 178.113 176.870 0.028 0.000 1.094 770 L CA 0.909 55.742 54.840 -0.011 0.000 0.790 770 L CB -0.111 42.017 42.059 0.114 0.000 0.932 770 L HN 0.416 nan 8.230 nan 0.000 0.447 771 K N -1.077 119.331 120.400 0.014 0.000 2.495 771 K HA 0.465 4.786 4.320 0.001 0.000 0.268 771 K C -2.862 173.711 176.600 -0.045 0.000 1.008 771 K CA -2.054 54.207 56.287 -0.044 0.000 0.882 771 K CB 1.128 33.545 32.500 -0.139 0.000 1.443 771 K HN -0.385 nan 8.250 nan 0.000 0.447 772 P HA -0.009 nan 4.420 nan 0.000 0.260 772 P C -0.808 176.466 177.300 -0.043 0.000 1.172 772 P CA 0.496 63.575 63.100 -0.036 0.000 0.760 772 P CB 0.022 31.700 31.700 -0.037 0.000 0.773 773 N N 1.644 120.333 118.700 -0.018 0.000 2.741 773 N HA -0.168 4.573 4.740 0.001 0.000 0.251 773 N C 1.342 176.854 175.510 0.002 0.000 1.112 773 N CA 1.267 54.311 53.050 -0.010 0.000 0.750 773 N CB -1.572 36.903 38.487 -0.020 0.000 1.119 773 N HN 0.642 nan 8.380 nan 0.000 0.561 774 G N 0.696 109.506 108.800 0.016 0.000 2.450 774 G HA2 -0.266 3.695 3.960 0.001 0.000 0.220 774 G HA3 -0.266 3.695 3.960 0.001 0.000 0.220 774 G C 1.452 176.426 174.900 0.122 0.000 1.130 774 G CA 1.501 46.664 45.100 0.105 0.000 0.760 774 G HN 0.588 nan 8.290 nan 0.000 0.557 775 S N 0.575 116.311 115.700 0.060 0.000 2.440 775 S HA -0.090 4.381 4.470 0.001 0.000 0.240 775 S C 1.624 176.243 174.600 0.032 0.000 1.014 775 S CA 1.488 59.709 58.200 0.035 0.000 0.980 775 S CB -0.049 63.162 63.200 0.019 0.000 0.775 775 S HN 0.376 nan 8.310 nan 0.000 0.499 776 E N 0.435 120.657 120.200 0.038 0.000 2.498 776 E HA 0.391 4.742 4.350 0.001 0.000 0.203 776 E C 0.029 176.655 176.600 0.043 0.000 1.013 776 E CA -0.038 56.379 56.400 0.028 0.000 0.927 776 E CB 0.331 30.040 29.700 0.015 0.000 1.012 776 E HN 0.637 nan 8.360 nan 0.000 0.482 777 I N 1.133 121.757 120.570 0.090 0.000 2.441 777 I HA 0.298 4.469 4.170 0.001 0.000 0.295 777 I C 0.364 176.579 176.117 0.164 0.000 0.994 777 I CA -0.643 60.739 61.300 0.137 0.000 1.144 777 I CB 1.445 39.542 38.000 0.160 0.000 1.314 777 I HN -0.299 nan 8.210 nan 0.000 0.445 778 M N 4.545 124.198 119.600 0.088 0.000 2.274 778 M HA 0.295 4.776 4.480 0.001 0.000 0.344 778 M C -0.410 175.860 176.300 -0.050 0.000 1.161 778 M CA -0.735 54.557 55.300 -0.013 0.000 1.126 778 M CB 1.752 34.336 32.600 -0.026 0.000 1.522 778 M HN 0.270 nan 8.290 nan 0.000 0.461 779 V N 2.982 122.730 119.914 -0.277 0.000 2.352 779 V HA 0.075 4.196 4.120 0.001 0.000 0.253 779 V C 0.881 176.868 176.094 -0.178 0.000 1.083 779 V CA -0.229 61.827 62.300 -0.406 0.000 0.993 779 V CB -0.241 31.117 31.823 -0.775 0.000 1.111 779 V HN 1.025 nan 8.190 nan 0.000 0.490 780 T N 1.597 116.116 114.554 -0.058 0.000 2.900 780 T HA 0.110 4.461 4.350 0.001 0.000 0.326 780 T C 0.932 175.614 174.700 -0.031 0.000 1.145 780 T CA -0.094 61.989 62.100 -0.028 0.000 0.963 780 T CB 0.440 69.314 68.868 0.010 0.000 1.512 780 T HN 0.382 nan 8.240 nan 0.000 0.552 781 N N -0.437 118.252 118.700 -0.018 0.000 2.230 781 N HA 0.151 4.892 4.740 0.001 0.000 0.202 781 N C 1.134 176.643 175.510 -0.002 0.000 1.119 781 N CA -0.061 52.977 53.050 -0.021 0.000 0.851 781 N CB 0.030 38.498 38.487 -0.031 0.000 0.990 781 N HN 0.684 nan 8.380 nan 0.000 0.497 782 E N -1.039 119.172 120.200 0.018 0.000 2.413 782 E HA 0.067 4.418 4.350 0.001 0.000 0.203 782 E C 0.252 176.889 176.600 0.062 0.000 0.957 782 E CA 0.294 56.713 56.400 0.031 0.000 0.950 782 E CB 0.203 29.920 29.700 0.028 0.000 0.957 782 E HN 0.369 nan 8.360 nan 0.000 0.497 783 N N 0.982 119.738 118.700 0.094 0.000 2.171 783 N HA -0.054 4.687 4.740 0.001 0.000 0.212 783 N C 1.237 176.861 175.510 0.189 0.000 1.184 783 N CA 0.071 53.226 53.050 0.175 0.000 0.888 783 N CB -0.163 38.500 38.487 0.294 0.000 1.038 783 N HN 0.042 nan 8.380 nan 0.000 0.517 784 K N 0.906 121.360 120.400 0.090 0.000 2.218 784 K HA -0.114 4.207 4.320 0.001 0.000 0.205 784 K C 1.364 178.053 176.600 0.147 0.000 1.046 784 K CA 0.864 57.199 56.287 0.080 0.000 0.933 784 K CB -0.032 32.478 32.500 0.016 0.000 0.728 784 K HN 0.014 nan 8.250 nan 0.000 0.454 785 R N 1.419 121.992 120.500 0.122 0.000 2.056 785 R HA -0.088 4.253 4.340 0.001 0.000 0.227 785 R C 2.229 178.624 176.300 0.158 0.000 1.149 785 R CA 1.520 57.688 56.100 0.113 0.000 0.937 785 R CB -1.012 29.336 30.300 0.080 0.000 0.835 785 R HN 0.453 nan 8.270 nan 0.000 0.430 786 E N 0.397 120.706 120.200 0.182 0.000 2.284 786 E HA -0.246 4.105 4.350 0.001 0.000 0.200 786 E C 1.637 178.438 176.600 0.336 0.000 1.008 786 E CA 1.185 57.715 56.400 0.217 0.000 0.829 786 E CB -0.057 29.767 29.700 0.206 0.000 0.744 786 E HN 0.350 nan 8.360 nan 0.000 0.491 787 Y N 0.536 120.965 120.300 0.216 0.000 2.231 787 Y HA -0.022 4.528 4.550 0.001 0.000 0.294 787 Y C 1.957 177.898 175.900 0.070 0.000 1.120 787 Y CA 1.271 59.448 58.100 0.128 0.000 1.141 787 Y CB -0.215 38.099 38.460 -0.243 0.000 1.022 787 Y HN -0.047 nan 8.280 nan 0.000 0.523 788 I N 0.493 121.064 120.570 0.002 0.000 2.657 788 I HA -0.262 3.909 4.170 0.001 0.000 0.261 788 I C 1.438 177.537 176.117 -0.030 0.000 1.212 788 I CA 1.317 62.573 61.300 -0.074 0.000 1.453 788 I CB -0.419 37.616 38.000 0.059 0.000 1.092 788 I HN 0.270 nan 8.210 nan 0.000 0.452 789 D N 1.054 121.471 120.400 0.030 0.000 2.091 789 D HA -0.060 4.581 4.640 0.001 0.000 0.199 789 D C 2.394 178.721 176.300 0.045 0.000 0.980 789 D CA 1.132 55.167 54.000 0.058 0.000 0.831 789 D CB -0.219 40.633 40.800 0.086 0.000 0.987 789 D HN 0.208 nan 8.370 nan 0.000 0.460 790 L N 0.343 121.593 121.223 0.045 0.000 2.046 790 L HA -0.144 4.197 4.340 0.001 0.000 0.208 790 L C 2.508 179.380 176.870 0.003 0.000 1.077 790 L CA 0.641 55.511 54.840 0.051 0.000 0.747 790 L CB -0.552 41.571 42.059 0.107 0.000 0.896 790 L HN -0.035 nan 8.230 nan 0.000 0.432 791 V N 0.285 120.107 119.914 -0.153 0.000 2.332 791 V HA -0.308 3.813 4.120 0.001 0.000 0.248 791 V C 2.315 178.426 176.094 0.028 0.000 1.055 791 V CA 1.982 64.206 62.300 -0.128 0.000 1.038 791 V CB -0.286 31.364 31.823 -0.288 0.000 0.651 791 V HN 0.316 nan 8.190 nan 0.000 0.450 792 I N -1.101 119.484 120.570 0.026 0.000 2.286 792 I HA -0.184 3.987 4.170 0.001 0.000 0.245 792 I C 2.716 178.886 176.117 0.089 0.000 1.104 792 I CA 1.025 62.364 61.300 0.065 0.000 1.397 792 I CB -0.378 37.711 38.000 0.148 0.000 1.072 792 I HN 0.289 nan 8.210 nan 0.000 0.417 793 Q N -0.184 119.679 119.800 0.105 0.000 2.062 793 Q HA -0.303 4.038 4.340 0.001 0.000 0.209 793 Q C 2.006 178.080 176.000 0.122 0.000 0.996 793 Q CA 2.445 58.315 55.803 0.111 0.000 0.859 793 Q CB -0.497 28.305 28.738 0.106 0.000 0.920 793 Q HN 0.654 nan 8.270 nan 0.000 0.415 794 W N 0.962 122.215 121.300 -0.078 0.000 2.418 794 W HA -0.106 4.555 4.660 0.002 0.000 0.292 794 W C 2.172 178.577 176.519 -0.189 0.000 1.213 794 W CA 0.910 58.193 57.345 -0.103 0.000 1.283 794 W CB -0.031 29.373 29.460 -0.092 0.000 1.119 794 W HN -0.017 nan 8.180 nan 0.000 0.542 795 R N -0.172 120.228 120.500 -0.165 0.000 2.096 795 R HA -0.122 4.219 4.340 0.001 0.000 0.235 795 R C 0.974 176.767 176.300 -0.846 0.000 1.127 795 R CA 1.425 57.087 56.100 -0.730 0.000 0.968 795 R CB -0.871 28.856 30.300 -0.956 0.000 0.861 795 R HN 0.331 nan 8.270 nan 0.000 0.440 796 F N -2.423 117.441 119.950 -0.143 0.000 2.798 796 F HA 0.196 4.724 4.527 0.002 0.000 0.328 796 F C 1.381 177.117 175.800 -0.106 0.000 1.098 796 F CA -0.272 57.651 58.000 -0.129 0.000 1.172 796 F CB 0.553 39.504 39.000 -0.082 0.000 1.072 796 F HN -0.301 nan 8.300 nan 0.000 0.555 797 V N -1.100 118.839 119.914 0.042 0.000 3.177 797 V HA -0.011 4.110 4.120 0.001 0.000 0.219 797 V C 1.835 177.918 176.094 -0.018 0.000 1.344 797 V CA 0.437 62.749 62.300 0.021 0.000 1.324 797 V CB -0.224 31.630 31.823 0.052 0.000 1.165 797 V HN 0.057 nan 8.190 nan 0.000 0.510 798 N N 1.844 120.539 118.700 -0.008 0.000 2.037 798 N HA -0.210 4.531 4.740 0.001 0.000 0.196 798 N C 1.504 176.996 175.510 -0.030 0.000 1.034 798 N CA 1.612 54.665 53.050 0.006 0.000 0.861 798 N CB -0.299 38.230 38.487 0.069 0.000 1.039 798 N HN 0.439 nan 8.380 nan 0.000 0.427 799 R N 0.767 121.211 120.500 -0.094 0.000 2.404 799 R HA 0.104 4.444 4.340 0.001 0.000 0.236 799 R C 0.880 177.117 176.300 -0.106 0.000 1.044 799 R CA 0.114 56.153 56.100 -0.102 0.000 1.133 799 R CB 0.190 30.382 30.300 -0.179 0.000 1.142 799 R HN 0.226 nan 8.270 nan 0.000 0.512 800 V N -5.727 114.125 119.914 -0.104 0.000 3.686 800 V HA 0.124 4.245 4.120 0.001 0.000 0.299 800 V C 1.112 177.118 176.094 -0.146 0.000 1.607 800 V CA -0.409 61.804 62.300 -0.145 0.000 1.172 800 V CB 0.698 32.424 31.823 -0.162 0.000 0.972 800 V HN -0.072 nan 8.190 nan 0.000 0.442 801 Q N 2.060 121.805 119.800 -0.092 0.000 2.124 801 Q HA -0.081 4.260 4.340 0.001 0.000 0.202 801 Q C 1.905 177.852 176.000 -0.089 0.000 0.977 801 Q CA 2.284 58.040 55.803 -0.079 0.000 0.850 801 Q CB -0.248 28.465 28.738 -0.041 0.000 0.901 801 Q HN 0.791 nan 8.270 nan 0.000 0.429 802 K N 0.491 120.841 120.400 -0.083 0.000 2.032 802 K HA -0.206 4.115 4.320 0.001 0.000 0.209 802 K C 2.251 178.758 176.600 -0.155 0.000 1.048 802 K CA 1.499 57.740 56.287 -0.076 0.000 0.927 802 K CB -0.099 32.377 32.500 -0.040 0.000 0.712 802 K HN 0.120 nan 8.250 nan 0.000 0.441 803 Q N 0.668 120.282 119.800 -0.310 0.000 1.967 803 Q HA -0.155 4.186 4.340 0.001 0.000 0.202 803 Q C 2.130 177.858 176.000 -0.453 0.000 0.985 803 Q CA 1.698 57.094 55.803 -0.678 0.000 0.839 803 Q CB -0.334 27.669 28.738 -1.225 0.000 0.906 803 Q HN 0.165 nan 8.270 nan 0.000 0.423 804 M N 0.873 120.273 119.600 -0.332 0.000 2.192 804 M HA -0.214 4.267 4.480 0.001 0.000 0.259 804 M C 0.997 177.292 176.300 -0.008 0.000 1.071 804 M CA 1.585 56.802 55.300 -0.138 0.000 1.082 804 M CB -0.302 32.208 32.600 -0.149 0.000 1.373 804 M HN 0.160 nan 8.290 nan 0.000 0.408 805 N N -0.168 118.510 118.700 -0.036 0.000 2.250 805 N HA 0.048 4.789 4.740 0.001 0.000 0.181 805 N C 1.642 177.193 175.510 0.069 0.000 1.017 805 N CA 1.412 54.470 53.050 0.013 0.000 0.866 805 N CB -0.349 38.135 38.487 -0.004 0.000 0.985 805 N HN 0.512 nan 8.380 nan 0.000 0.429 806 A N 0.819 123.688 122.820 0.082 0.000 1.873 806 A HA -0.130 4.191 4.320 0.001 0.000 0.215 806 A C 2.044 179.779 177.584 0.251 0.000 1.186 806 A CA 0.875 53.011 52.037 0.164 0.000 0.616 806 A CB -1.063 18.062 19.000 0.208 0.000 0.823 806 A HN 0.292 nan 8.150 nan 0.000 0.442 807 F N 0.571 120.620 119.950 0.166 0.000 2.192 807 F HA -0.193 4.334 4.527 0.001 0.000 0.301 807 F C 1.769 177.686 175.800 0.196 0.000 1.079 807 F CA 1.769 59.922 58.000 0.255 0.000 1.303 807 F CB -0.144 39.020 39.000 0.274 0.000 1.024 807 F HN 0.152 nan 8.300 nan 0.000 0.494 808 L N -0.237 121.053 121.223 0.111 0.000 2.127 808 L HA -0.110 4.231 4.340 0.001 0.000 0.203 808 L C 2.472 179.371 176.870 0.049 0.000 1.080 808 L CA 1.373 56.224 54.840 0.019 0.000 0.768 808 L CB -0.853 41.224 42.059 0.030 0.000 0.924 808 L HN 0.180 nan 8.230 nan 0.000 0.444 809 E N 0.662 120.901 120.200 0.066 0.000 2.086 809 E HA -0.251 4.100 4.350 0.001 0.000 0.200 809 E C 2.073 178.705 176.600 0.052 0.000 1.012 809 E CA 1.738 58.177 56.400 0.064 0.000 0.812 809 E CB -0.197 29.551 29.700 0.079 0.000 0.743 809 E HN 0.447 nan 8.360 nan 0.000 0.453 810 G N -0.002 108.825 108.800 0.045 0.000 2.394 810 G HA2 -0.270 3.691 3.960 0.001 0.000 0.214 810 G HA3 -0.270 3.691 3.960 0.001 0.000 0.214 810 G C 1.384 176.258 174.900 -0.043 0.000 1.176 810 G CA 0.502 45.609 45.100 0.012 0.000 0.786 810 G HN 0.407 nan 8.290 nan 0.000 0.533 811 F N 2.641 122.435 119.950 -0.261 0.000 2.154 811 F HA -0.182 4.346 4.527 0.001 0.000 0.301 811 F C 2.793 178.534 175.800 -0.098 0.000 1.087 811 F CA 2.217 60.060 58.000 -0.262 0.000 1.274 811 F CB -0.088 38.654 39.000 -0.431 0.000 1.009 811 F HN 0.220 nan 8.300 nan 0.000 0.485 812 T N -3.209 111.421 114.554 0.126 0.000 3.144 812 T HA 0.076 4.427 4.350 0.001 0.000 0.249 812 T C 1.134 175.842 174.700 0.014 0.000 1.089 812 T CA 0.160 62.318 62.100 0.095 0.000 0.989 812 T CB -0.306 68.640 68.868 0.130 0.000 0.992 812 T HN 0.380 nan 8.240 nan 0.000 0.540 813 E N 0.111 120.297 120.200 -0.023 0.000 2.476 813 E HA 0.284 4.634 4.350 0.001 0.000 0.191 813 E C 0.916 177.491 176.600 -0.041 0.000 1.064 813 E CA 0.123 56.510 56.400 -0.021 0.000 0.866 813 E CB 0.261 29.950 29.700 -0.018 0.000 0.952 813 E HN 0.534 nan 8.360 nan 0.000 0.492 814 L N -0.919 120.265 121.223 -0.064 0.000 2.860 814 L HA 0.174 4.515 4.340 0.001 0.000 0.251 814 L C -0.401 176.475 176.870 0.009 0.000 1.041 814 L CA 0.198 55.017 54.840 -0.035 0.000 0.985 814 L CB 0.778 42.774 42.059 -0.104 0.000 1.656 814 L HN -0.034 nan 8.230 nan 0.000 0.526 815 L N -0.725 120.454 121.223 -0.073 0.000 2.371 815 L HA 0.526 4.867 4.340 0.001 0.000 0.262 815 L C -2.605 174.294 176.870 0.049 0.000 1.006 815 L CA -1.454 53.369 54.840 -0.028 0.000 0.818 815 L CB 0.873 42.910 42.059 -0.036 0.000 1.354 815 L HN -0.296 nan 8.230 nan 0.000 0.415 816 P HA 0.209 nan 4.420 nan 0.000 0.279 816 P C 0.843 178.227 177.300 0.141 0.000 1.318 816 P CA -0.314 62.828 63.100 0.070 0.000 0.819 816 P CB 0.625 32.337 31.700 0.019 0.000 0.927 817 I N 4.215 124.880 120.570 0.159 0.000 2.229 817 I HA -0.313 3.858 4.170 0.001 0.000 0.250 817 I C 1.471 177.667 176.117 0.131 0.000 1.096 817 I CA 2.020 63.422 61.300 0.169 0.000 1.358 817 I CB -0.327 37.735 38.000 0.104 0.000 1.047 817 I HN 0.352 nan 8.210 nan 0.000 0.422 818 D N -0.434 120.025 120.400 0.098 0.000 2.323 818 D HA -0.146 4.495 4.640 0.001 0.000 0.209 818 D C 1.984 178.346 176.300 0.104 0.000 0.973 818 D CA 0.371 54.420 54.000 0.082 0.000 0.874 818 D CB -0.586 40.245 40.800 0.052 0.000 0.930 818 D HN 0.428 nan 8.370 nan 0.000 0.521 819 L N 0.535 121.836 121.223 0.130 0.000 2.622 819 L HA 0.191 4.532 4.340 0.001 0.000 0.233 819 L C 1.659 178.725 176.870 0.327 0.000 1.156 819 L CA 0.631 55.561 54.840 0.150 0.000 0.866 819 L CB -0.277 41.826 42.059 0.073 0.000 0.980 819 L HN 0.075 nan 8.230 nan 0.000 0.448 820 I N -2.061 118.692 120.570 0.306 0.000 4.139 820 I HA -0.020 4.151 4.170 0.001 0.000 0.320 820 I C 1.637 177.890 176.117 0.226 0.000 1.290 820 I CA 0.032 61.542 61.300 0.350 0.000 1.253 820 I CB 0.051 38.252 38.000 0.336 0.000 1.122 820 I HN 0.127 nan 8.210 nan 0.000 0.421 821 K N 1.060 121.542 120.400 0.136 0.000 2.520 821 K HA -0.146 4.175 4.320 0.001 0.000 0.197 821 K C 1.868 178.505 176.600 0.061 0.000 1.043 821 K CA 1.155 57.493 56.287 0.086 0.000 0.944 821 K CB -0.194 32.339 32.500 0.056 0.000 0.770 821 K HN 0.492 nan 8.250 nan 0.000 0.480 822 I N 0.272 120.853 120.570 0.019 0.000 2.830 822 I HA -0.097 4.074 4.170 0.001 0.000 0.263 822 I C -0.168 175.858 176.117 -0.151 0.000 1.230 822 I CA 0.564 61.805 61.300 -0.099 0.000 1.480 822 I CB 0.221 38.103 38.000 -0.197 0.000 1.095 822 I HN -0.147 nan 8.210 nan 0.000 0.455 823 F N 1.561 121.530 119.950 0.033 0.000 2.408 823 F HA 0.327 4.855 4.527 0.001 0.000 0.325 823 F C 0.329 176.128 175.800 -0.003 0.000 1.082 823 F CA -0.922 57.090 58.000 0.019 0.000 1.032 823 F CB 0.688 39.670 39.000 -0.030 0.000 1.259 823 F HN 0.079 nan 8.300 nan 0.000 0.503 824 D N -1.244 119.285 120.400 0.215 0.000 2.392 824 D HA 0.220 4.861 4.640 0.001 0.000 0.246 824 D C 0.742 177.038 176.300 -0.007 0.000 1.013 824 D CA -0.604 53.442 54.000 0.077 0.000 0.993 824 D CB 0.587 41.417 40.800 0.051 0.000 1.219 824 D HN 0.476 nan 8.370 nan 0.000 0.538 825 E N 1.272 121.454 120.200 -0.030 0.000 2.132 825 E HA -0.367 3.984 4.350 0.001 0.000 0.218 825 E C 1.087 177.561 176.600 -0.210 0.000 1.058 825 E CA 1.630 57.986 56.400 -0.074 0.000 0.882 825 E CB -0.853 28.827 29.700 -0.033 0.000 0.774 825 E HN 0.565 nan 8.360 nan 0.000 0.467 826 N N 1.039 119.633 118.700 -0.177 0.000 2.216 826 N HA -0.094 4.647 4.740 0.001 0.000 0.183 826 N C 1.892 177.215 175.510 -0.311 0.000 1.017 826 N CA 1.024 53.925 53.050 -0.248 0.000 0.861 826 N CB -0.114 38.262 38.487 -0.186 0.000 0.986 826 N HN 0.410 nan 8.380 nan 0.000 0.428 827 E N 0.934 121.002 120.200 -0.220 0.000 2.031 827 E HA -0.159 4.192 4.350 0.001 0.000 0.193 827 E C 1.970 178.353 176.600 -0.362 0.000 0.994 827 E CA 0.629 56.886 56.400 -0.239 0.000 0.800 827 E CB -0.168 29.615 29.700 0.139 0.000 0.752 827 E HN 0.089 nan 8.360 nan 0.000 0.447 828 L N 1.930 122.964 121.223 -0.315 0.000 2.079 828 L HA -0.235 4.106 4.340 0.001 0.000 0.210 828 L C 2.231 178.838 176.870 -0.438 0.000 1.081 828 L CA 2.064 56.679 54.840 -0.375 0.000 0.752 828 L CB -0.584 41.355 42.059 -0.200 0.000 0.896 828 L HN 0.129 nan 8.230 nan 0.000 0.433 829 E N -0.484 119.323 120.200 -0.655 0.000 2.031 829 E HA -0.275 4.076 4.350 0.001 0.000 0.193 829 E C 2.301 178.732 176.600 -0.283 0.000 0.994 829 E CA 1.820 57.782 56.400 -0.731 0.000 0.800 829 E CB -0.491 28.719 29.700 -0.816 0.000 0.752 829 E HN 0.571 nan 8.360 nan 0.000 0.447 830 L N 0.480 121.505 121.223 -0.330 0.000 2.275 830 L HA -0.079 4.262 4.340 0.001 0.000 0.215 830 L C 2.324 179.056 176.870 -0.229 0.000 1.119 830 L CA 0.393 55.067 54.840 -0.276 0.000 0.790 830 L CB -0.030 41.737 42.059 -0.486 0.000 0.919 830 L HN 0.318 nan 8.230 nan 0.000 0.443 831 L N -0.167 120.882 121.223 -0.290 0.000 2.217 831 L HA -0.122 4.219 4.340 0.001 0.000 0.211 831 L C 2.035 178.829 176.870 -0.128 0.000 1.107 831 L CA 1.791 56.458 54.840 -0.288 0.000 0.783 831 L CB -0.057 41.656 42.059 -0.577 0.000 0.919 831 L HN 0.422 nan 8.230 nan 0.000 0.442 832 M N -5.415 114.159 119.600 -0.043 0.000 2.296 832 M HA 0.248 4.728 4.480 0.001 0.000 0.291 832 M C 1.006 177.364 176.300 0.098 0.000 1.013 832 M CA 0.211 55.550 55.300 0.066 0.000 1.089 832 M CB 0.178 32.883 32.600 0.177 0.000 1.677 832 M HN 0.009 nan 8.290 nan 0.000 0.584 833 C N 2.326 121.698 119.300 0.121 0.000 3.255 833 C HA 0.628 5.089 4.460 0.001 0.000 0.282 833 C C 1.584 176.705 174.990 0.218 0.000 1.441 833 C CA -0.137 58.957 59.018 0.127 0.000 1.785 833 C CB -0.876 27.016 27.740 0.254 0.000 2.583 833 C HN 0.910 nan 8.230 nan 0.000 0.615 834 G N 1.415 110.286 108.800 0.119 0.000 2.606 834 G HA2 -0.252 3.709 3.960 0.001 0.000 0.285 834 G HA3 -0.252 3.709 3.960 0.001 0.000 0.285 834 G C -0.261 174.733 174.900 0.158 0.000 1.311 834 G CA -0.229 44.930 45.100 0.098 0.000 0.922 834 G HN 0.436 nan 8.290 nan 0.000 0.559 835 L N 0.459 121.742 121.223 0.099 0.000 2.416 835 L HA 0.599 4.940 4.340 0.001 0.000 0.262 835 L C 1.526 178.501 176.870 0.175 0.000 1.093 835 L CA 0.069 54.937 54.840 0.046 0.000 0.801 835 L CB 1.493 43.551 42.059 -0.002 0.000 1.191 835 L HN 0.897 nan 8.230 nan 0.000 0.459 836 G N 0.540 109.383 108.800 0.071 0.000 4.126 836 G HA2 0.041 4.002 3.960 0.001 0.000 0.282 836 G HA3 0.041 4.002 3.960 0.001 0.000 0.282 836 G C -0.245 174.718 174.900 0.104 0.000 1.221 836 G CA -0.318 44.890 45.100 0.179 0.000 1.527 836 G HN 0.559 nan 8.290 nan 0.000 0.612 837 D N 1.219 121.686 120.400 0.111 0.000 2.434 837 D HA 0.035 4.676 4.640 0.001 0.000 0.252 837 D C 0.627 176.993 176.300 0.111 0.000 1.185 837 D CA 0.112 54.170 54.000 0.097 0.000 0.886 837 D CB 1.317 42.173 40.800 0.093 0.000 1.148 837 D HN 0.026 nan 8.370 nan 0.000 0.483 838 V N 4.500 124.481 119.914 0.111 0.000 2.508 838 V HA -0.021 4.100 4.120 0.001 0.000 0.281 838 V C 0.825 177.044 176.094 0.208 0.000 1.041 838 V CA -0.563 61.816 62.300 0.132 0.000 1.016 838 V CB 1.195 33.051 31.823 0.055 0.000 0.984 838 V HN 0.512 nan 8.190 nan 0.000 0.478 839 D N 4.672 125.213 120.400 0.235 0.000 2.346 839 D HA 0.031 4.672 4.640 0.001 0.000 0.267 839 D C 1.060 177.524 176.300 0.275 0.000 1.320 839 D CA 0.085 54.219 54.000 0.222 0.000 0.951 839 D CB 1.364 42.288 40.800 0.206 0.000 1.079 839 D HN 0.286 nan 8.370 nan 0.000 0.509 840 V N 4.578 124.648 119.914 0.260 0.000 2.568 840 V HA -0.226 3.894 4.120 0.001 0.000 0.253 840 V C 2.343 178.492 176.094 0.092 0.000 1.072 840 V CA 1.297 63.767 62.300 0.284 0.000 1.084 840 V CB -0.524 31.422 31.823 0.205 0.000 0.676 840 V HN 0.622 nan 8.190 nan 0.000 0.469 841 N N 0.225 118.955 118.700 0.051 0.000 2.092 841 N HA -0.170 4.571 4.740 0.001 0.000 0.189 841 N C 1.757 177.257 175.510 -0.015 0.000 1.040 841 N CA 1.679 54.704 53.050 -0.041 0.000 0.845 841 N CB -0.225 38.257 38.487 -0.009 0.000 1.017 841 N HN 0.500 nan 8.380 nan 0.000 0.426 842 D N 0.166 120.638 120.400 0.119 0.000 2.239 842 D HA -0.195 4.446 4.640 0.001 0.000 0.202 842 D C 1.714 178.170 176.300 0.259 0.000 0.993 842 D CA 0.881 55.038 54.000 0.261 0.000 0.874 842 D CB -0.042 40.961 40.800 0.338 0.000 0.922 842 D HN 0.327 nan 8.370 nan 0.000 0.464 843 W N 1.702 122.820 121.300 -0.302 0.000 2.423 843 W HA 0.018 4.679 4.660 0.002 0.000 0.321 843 W C 2.466 178.673 176.519 -0.521 0.000 1.180 843 W CA 1.268 58.089 57.345 -0.873 0.000 1.322 843 W CB -1.251 27.659 29.460 -0.917 0.000 1.174 843 W HN -0.087 nan 8.180 nan 0.000 0.470 844 R N 0.445 120.574 120.500 -0.619 0.000 2.119 844 R HA -0.270 4.071 4.340 0.001 0.000 0.246 844 R C 2.234 178.256 176.300 -0.464 0.000 1.146 844 R CA 2.495 57.841 56.100 -1.257 0.000 0.962 844 R CB -0.669 28.691 30.300 -1.568 0.000 0.863 844 R HN 0.346 nan 8.270 nan 0.000 0.442 845 Q N -1.256 118.354 119.800 -0.316 0.000 2.224 845 Q HA -0.139 4.202 4.340 0.001 0.000 0.203 845 Q C 0.302 176.075 176.000 -0.378 0.000 0.970 845 Q CA 1.316 56.935 55.803 -0.307 0.000 0.865 845 Q CB 0.195 28.730 28.738 -0.339 0.000 0.922 845 Q HN 0.582 nan 8.270 nan 0.000 0.445 846 H N -0.938 118.170 119.070 0.063 0.000 2.507 846 H HA 0.317 4.874 4.556 0.002 0.000 0.281 846 H C -0.788 174.652 175.328 0.187 0.000 1.160 846 H CA -0.325 55.804 56.048 0.135 0.000 0.981 846 H CB 0.727 30.610 29.762 0.201 0.000 1.665 846 H HN -0.079 nan 8.280 nan 0.000 0.554 847 S N 1.298 117.103 115.700 0.175 0.000 2.537 847 S HA 0.566 5.037 4.470 0.001 0.000 0.301 847 S C -0.047 174.445 174.600 -0.180 0.000 1.092 847 S CA -0.907 57.381 58.200 0.147 0.000 1.048 847 S CB 1.466 64.844 63.200 0.297 0.000 1.053 847 S HN 0.443 nan 8.310 nan 0.000 0.501 848 I N -0.520 119.886 120.570 -0.272 0.000 2.646 848 I HA 0.700 4.871 4.170 0.001 0.000 0.299 848 I C -1.794 174.033 176.117 -0.483 0.000 1.036 848 I CA -1.025 60.088 61.300 -0.311 0.000 1.074 848 I CB 1.379 39.335 38.000 -0.073 0.000 1.258 848 I HN 0.458 nan 8.210 nan 0.000 0.430 849 Y N 3.364 123.717 120.300 0.089 0.000 2.409 849 Y HA 0.670 5.221 4.550 0.002 0.000 0.339 849 Y C -0.114 175.810 175.900 0.039 0.000 1.033 849 Y CA -0.736 57.411 58.100 0.077 0.000 1.094 849 Y CB 1.899 40.428 38.460 0.114 0.000 1.210 849 Y HN 0.432 nan 8.280 nan 0.000 0.456 850 K N 0.869 121.358 120.400 0.148 0.000 2.482 850 K HA 0.307 4.628 4.320 0.001 0.000 0.257 850 K C -1.013 175.563 176.600 -0.040 0.000 0.969 850 K CA -1.410 54.898 56.287 0.036 0.000 0.842 850 K CB 2.174 34.662 32.500 -0.020 0.000 1.359 850 K HN 0.653 nan 8.250 nan 0.000 0.441 851 N N 0.362 119.025 118.700 -0.061 0.000 2.641 851 N HA -0.246 4.495 4.740 0.001 0.000 0.267 851 N C 0.324 175.719 175.510 -0.191 0.000 1.087 851 N CA 1.776 54.758 53.050 -0.112 0.000 0.731 851 N CB -1.141 37.271 38.487 -0.125 0.000 0.886 851 N HN 0.986 nan 8.380 nan 0.000 0.547 852 G N -0.470 108.266 108.800 -0.106 0.000 2.659 852 G HA2 -0.337 3.624 3.960 0.001 0.000 0.212 852 G HA3 -0.337 3.624 3.960 0.001 0.000 0.212 852 G C 0.032 174.935 174.900 0.005 0.000 1.226 852 G CA 0.109 45.151 45.100 -0.097 0.000 0.739 852 G HN 0.446 nan 8.290 nan 0.000 0.528 853 Y N 2.140 122.370 120.300 -0.116 0.000 2.511 853 Y HA 0.458 5.009 4.550 0.001 0.000 0.347 853 Y C 1.417 177.260 175.900 -0.095 0.000 1.257 853 Y CA -0.655 57.302 58.100 -0.238 0.000 1.469 853 Y CB 0.293 38.589 38.460 -0.274 0.000 1.353 853 Y HN 1.066 nan 8.280 nan 0.000 0.617 854 C N -0.427 118.839 119.300 -0.057 0.000 3.306 854 C HA 0.397 4.858 4.460 0.001 0.000 0.335 854 C C -1.935 172.839 174.990 -0.360 0.000 1.382 854 C CA -1.946 57.019 59.018 -0.088 0.000 1.254 854 C CB 1.490 29.265 27.740 0.059 0.000 1.555 854 C HN 0.470 nan 8.230 nan 0.000 0.463 855 P HA -0.175 nan 4.420 nan 0.000 0.219 855 P C 0.738 177.980 177.300 -0.096 0.000 1.161 855 P CA 2.183 65.218 63.100 -0.108 0.000 0.909 855 P CB -0.085 31.651 31.700 0.061 0.000 0.793 856 N N -2.688 115.980 118.700 -0.055 0.000 2.314 856 N HA -0.040 4.701 4.740 0.001 0.000 0.200 856 N C 0.556 176.025 175.510 -0.068 0.000 1.135 856 N CA -0.243 52.777 53.050 -0.050 0.000 0.835 856 N CB -0.245 38.218 38.487 -0.040 0.000 0.989 856 N HN 0.269 nan 8.380 nan 0.000 0.478 857 H N 2.081 121.035 119.070 -0.193 0.000 2.790 857 H HA 0.067 4.624 4.556 0.001 0.000 0.358 857 H C -1.653 173.486 175.328 -0.315 0.000 1.103 857 H CA -1.204 54.716 56.048 -0.213 0.000 1.426 857 H CB 1.472 31.118 29.762 -0.193 0.000 1.424 857 H HN -0.059 nan 8.280 nan 0.000 0.599 858 P HA -0.202 nan 4.420 nan 0.000 0.214 858 P C 1.758 178.619 177.300 -0.732 0.000 1.163 858 P CA 1.331 64.072 63.100 -0.600 0.000 0.889 858 P CB 0.256 31.552 31.700 -0.674 0.000 0.790 859 V N -0.287 119.492 119.914 -0.226 0.000 2.287 859 V HA -0.231 3.890 4.120 0.001 0.000 0.248 859 V C 2.362 178.326 176.094 -0.218 0.000 1.053 859 V CA 1.613 63.783 62.300 -0.217 0.000 1.027 859 V CB -1.172 30.473 31.823 -0.296 0.000 0.646 859 V HN 0.040 nan 8.190 nan 0.000 0.447 860 I N -0.170 120.166 120.570 -0.390 0.000 2.226 860 I HA -0.244 3.927 4.170 0.001 0.000 0.245 860 I C 2.543 178.680 176.117 0.034 0.000 1.100 860 I CA 1.648 62.769 61.300 -0.298 0.000 1.374 860 I CB -1.287 36.437 38.000 -0.461 0.000 1.057 860 I HN 0.370 nan 8.210 nan 0.000 0.413 861 Q N 0.082 119.869 119.800 -0.022 0.000 2.135 861 Q HA -0.204 4.136 4.340 0.001 0.000 0.204 861 Q C 2.061 178.235 176.000 0.290 0.000 0.981 861 Q CA 1.755 57.613 55.803 0.092 0.000 0.856 861 Q CB -0.188 28.499 28.738 -0.084 0.000 0.902 861 Q HN 0.445 nan 8.270 nan 0.000 0.425 862 W N -0.790 120.637 121.300 0.211 0.000 2.407 862 W HA -0.052 4.609 4.660 0.001 0.000 0.305 862 W C 1.978 178.663 176.519 0.277 0.000 1.196 862 W CA 0.219 57.761 57.345 0.328 0.000 1.311 862 W CB -1.519 28.176 29.460 0.391 0.000 1.135 862 W HN 0.185 nan 8.180 nan 0.000 0.514 863 F N 0.107 120.177 119.950 0.200 0.000 2.039 863 F HA -0.315 4.213 4.527 0.001 0.000 0.296 863 F C 2.114 177.860 175.800 -0.091 0.000 1.119 863 F CA 2.336 60.277 58.000 -0.099 0.000 1.211 863 F CB -1.181 37.547 39.000 -0.454 0.000 0.956 863 F HN -0.161 nan 8.300 nan 0.000 0.496 864 W N 0.508 121.867 121.300 0.098 0.000 2.350 864 W HA -0.142 4.519 4.660 0.001 0.000 0.289 864 W C 2.468 178.964 176.519 -0.038 0.000 1.215 864 W CA 1.197 58.492 57.345 -0.082 0.000 1.236 864 W CB -0.501 28.969 29.460 0.016 0.000 1.130 864 W HN -0.049 nan 8.180 nan 0.000 0.541 865 K N -0.034 120.553 120.400 0.311 0.000 2.288 865 K HA -0.043 4.278 4.320 0.001 0.000 0.201 865 K C 2.179 178.937 176.600 0.264 0.000 1.048 865 K CA 1.024 57.454 56.287 0.238 0.000 0.956 865 K CB -0.261 32.352 32.500 0.189 0.000 0.746 865 K HN 0.136 nan 8.250 nan 0.000 0.461 866 A N 0.720 123.687 122.820 0.245 0.000 1.930 866 A HA -0.063 4.258 4.320 0.001 0.000 0.215 866 A C 2.225 179.775 177.584 -0.057 0.000 1.176 866 A CA 0.903 52.994 52.037 0.090 0.000 0.632 866 A CB -0.274 18.647 19.000 -0.133 0.000 0.819 866 A HN 0.046 nan 8.150 nan 0.000 0.445 867 V N 0.230 120.039 119.914 -0.175 0.000 2.358 867 V HA -0.199 3.922 4.120 0.001 0.000 0.246 867 V C 2.444 178.547 176.094 0.015 0.000 1.047 867 V CA 1.359 63.566 62.300 -0.156 0.000 1.035 867 V CB -0.815 30.848 31.823 -0.266 0.000 0.658 867 V HN 0.528 nan 8.190 nan 0.000 0.452 868 L N -0.448 120.811 121.223 0.060 0.000 2.081 868 L HA -0.208 4.133 4.340 0.001 0.000 0.212 868 L C 2.334 179.244 176.870 0.066 0.000 1.080 868 L CA 1.966 56.852 54.840 0.076 0.000 0.754 868 L CB -0.390 41.717 42.059 0.080 0.000 0.893 868 L HN 0.379 nan 8.230 nan 0.000 0.433 869 L N -1.398 119.866 121.223 0.068 0.000 2.095 869 L HA -0.092 4.248 4.340 0.001 0.000 0.204 869 L C 1.480 178.378 176.870 0.048 0.000 1.080 869 L CA 0.095 54.973 54.840 0.063 0.000 0.759 869 L CB -0.253 41.861 42.059 0.092 0.000 0.914 869 L HN 0.209 nan 8.230 nan 0.000 0.439 870 M N 1.131 120.753 119.600 0.036 0.000 2.233 870 M HA -0.045 4.436 4.480 0.001 0.000 0.307 870 M C 0.078 176.411 176.300 0.055 0.000 1.026 870 M CA 0.631 55.953 55.300 0.037 0.000 1.109 870 M CB -0.040 32.582 32.600 0.037 0.000 1.463 870 M HN 0.199 nan 8.290 nan 0.000 0.436 871 D N 1.047 121.478 120.400 0.051 0.000 2.440 871 D HA 0.439 5.079 4.640 0.001 0.000 0.258 871 D C 0.626 176.964 176.300 0.063 0.000 1.092 871 D CA -0.287 53.745 54.000 0.053 0.000 1.016 871 D CB 1.083 41.907 40.800 0.039 0.000 1.141 871 D HN 0.628 nan 8.370 nan 0.000 0.552 872 A N 0.645 123.501 122.820 0.060 0.000 1.906 872 A HA -0.353 3.967 4.320 0.001 0.000 0.222 872 A C 1.990 179.604 177.584 0.050 0.000 1.282 872 A CA 2.535 54.608 52.037 0.060 0.000 0.675 872 A CB -1.136 17.890 19.000 0.043 0.000 0.838 872 A HN 0.839 nan 8.150 nan 0.000 0.469 873 E N -0.645 119.573 120.200 0.030 0.000 2.013 873 E HA -0.289 4.062 4.350 0.001 0.000 0.202 873 E C 2.040 178.666 176.600 0.044 0.000 1.018 873 E CA 1.937 58.349 56.400 0.019 0.000 0.834 873 E CB -0.194 29.509 29.700 0.006 0.000 0.770 873 E HN 0.428 nan 8.360 nan 0.000 0.459 874 K N 0.534 120.963 120.400 0.048 0.000 2.189 874 K HA -0.180 4.141 4.320 0.001 0.000 0.207 874 K C 2.191 178.858 176.600 0.111 0.000 1.046 874 K CA 1.418 57.743 56.287 0.063 0.000 0.928 874 K CB -0.248 32.278 32.500 0.043 0.000 0.720 874 K HN 0.149 nan 8.250 nan 0.000 0.458 875 R N -0.095 120.484 120.500 0.131 0.000 2.057 875 R HA 0.051 4.392 4.340 0.001 0.000 0.229 875 R C 2.303 178.727 176.300 0.205 0.000 1.136 875 R CA 1.538 57.771 56.100 0.222 0.000 0.952 875 R CB -0.417 30.027 30.300 0.241 0.000 0.848 875 R HN 0.148 nan 8.270 nan 0.000 0.430 876 I N 0.775 121.412 120.570 0.112 0.000 2.194 876 I HA -0.334 3.837 4.170 0.001 0.000 0.246 876 I C 2.474 178.647 176.117 0.093 0.000 1.093 876 I CA 1.446 62.781 61.300 0.059 0.000 1.355 876 I CB -0.400 37.602 38.000 0.002 0.000 1.046 876 I HN 0.188 nan 8.210 nan 0.000 0.413 877 R N 0.441 121.005 120.500 0.106 0.000 2.070 877 R HA -0.192 4.149 4.340 0.001 0.000 0.233 877 R C 2.373 178.816 176.300 0.237 0.000 1.137 877 R CA 1.405 57.583 56.100 0.130 0.000 0.945 877 R CB -0.874 29.481 30.300 0.091 0.000 0.845 877 R HN 0.233 nan 8.270 nan 0.000 0.430 878 L N 1.491 122.884 121.223 0.284 0.000 2.051 878 L HA -0.208 4.133 4.340 0.001 0.000 0.214 878 L C 2.175 179.364 176.870 0.532 0.000 1.076 878 L CA 1.572 56.676 54.840 0.439 0.000 0.758 878 L CB -0.581 41.742 42.059 0.442 0.000 0.890 878 L HN 0.160 nan 8.230 nan 0.000 0.433 879 L N -0.776 120.694 121.223 0.410 0.000 2.093 879 L HA -0.200 4.141 4.340 0.001 0.000 0.208 879 L C 2.554 179.583 176.870 0.265 0.000 1.085 879 L CA 2.095 57.127 54.840 0.319 0.000 0.755 879 L CB -0.651 41.421 42.059 0.022 0.000 0.904 879 L HN 0.586 nan 8.230 nan 0.000 0.435 880 Q N -1.623 118.303 119.800 0.209 0.000 2.172 880 Q HA -0.231 4.110 4.340 0.001 0.000 0.200 880 Q C 2.125 178.250 176.000 0.209 0.000 0.964 880 Q CA 1.618 57.516 55.803 0.159 0.000 0.855 880 Q CB -0.316 28.488 28.738 0.110 0.000 0.918 880 Q HN 0.546 nan 8.270 nan 0.000 0.444 881 F N -0.106 119.926 119.950 0.137 0.000 2.186 881 F HA -0.091 4.437 4.527 0.001 0.000 0.299 881 F C 1.525 177.405 175.800 0.132 0.000 1.090 881 F CA 1.099 59.170 58.000 0.118 0.000 1.307 881 F CB -0.250 38.825 39.000 0.125 0.000 1.019 881 F HN -0.058 nan 8.300 nan 0.000 0.489 882 V N -0.139 119.705 119.914 -0.115 0.000 2.599 882 V HA -0.124 3.997 4.120 0.001 0.000 0.245 882 V C 2.363 178.442 176.094 -0.026 0.000 1.046 882 V CA 1.977 64.156 62.300 -0.202 0.000 1.065 882 V CB -0.678 31.226 31.823 0.134 0.000 0.703 882 V HN 0.579 nan 8.190 nan 0.000 0.464 883 T N -3.209 111.421 114.554 0.126 0.000 3.014 883 T HA 0.315 4.665 4.350 0.001 0.000 0.250 883 T C 1.557 176.283 174.700 0.043 0.000 1.060 883 T CA 1.053 63.225 62.100 0.120 0.000 1.040 883 T CB 0.829 69.829 68.868 0.221 0.000 0.971 883 T HN 0.933 nan 8.240 nan 0.000 0.497 884 G N 0.425 109.247 108.800 0.037 0.000 2.143 884 G HA2 -0.170 3.791 3.960 0.001 0.000 0.249 884 G HA3 -0.170 3.791 3.960 0.001 0.000 0.249 884 G C 0.145 175.039 174.900 -0.009 0.000 0.981 884 G CA 0.349 45.455 45.100 0.010 0.000 0.665 884 G HN 1.071 nan 8.290 nan 0.000 0.528 885 T N -0.912 113.646 114.554 0.006 0.000 3.032 885 T HA 0.596 4.947 4.350 0.001 0.000 0.312 885 T C 1.163 175.866 174.700 0.004 0.000 1.078 885 T CA 0.887 62.970 62.100 -0.027 0.000 1.028 885 T CB 1.304 70.120 68.868 -0.086 0.000 1.091 885 T HN 1.105 nan 8.240 nan 0.000 0.457 886 S N 3.929 119.611 115.700 -0.030 0.000 2.603 886 S HA 0.241 4.712 4.470 0.001 0.000 0.220 886 S C 0.819 175.379 174.600 -0.066 0.000 0.967 886 S CA -0.340 57.834 58.200 -0.044 0.000 0.920 886 S CB -0.031 63.118 63.200 -0.086 0.000 0.773 886 S HN 0.540 nan 8.310 nan 0.000 0.529 887 R N 0.518 121.004 120.500 -0.024 0.000 2.602 887 R HA 0.778 5.118 4.340 0.001 0.000 0.237 887 R C -0.624 175.679 176.300 0.006 0.000 1.219 887 R CA -1.051 55.066 56.100 0.029 0.000 1.121 887 R CB 0.330 30.701 30.300 0.118 0.000 1.408 887 R HN 0.155 nan 8.270 nan 0.000 0.559 888 V N 1.261 121.107 119.914 -0.113 0.000 2.888 888 V HA 0.324 4.445 4.120 0.001 0.000 0.309 888 V C -2.267 173.439 176.094 -0.646 0.000 1.114 888 V CA -1.914 60.081 62.300 -0.508 0.000 0.940 888 V CB 2.235 33.687 31.823 -0.619 0.000 1.021 888 V HN 0.572 nan 8.190 nan 0.000 0.426 889 P HA 0.101 nan 4.420 nan 0.000 0.271 889 P C 0.928 178.039 177.300 -0.315 0.000 1.233 889 P CA 0.027 62.644 63.100 -0.806 0.000 0.795 889 P CB 0.490 31.742 31.700 -0.746 0.000 0.936 890 M N 1.209 120.756 119.600 -0.088 0.000 2.175 890 M HA -0.131 4.350 4.480 0.001 0.000 0.264 890 M C 0.464 176.728 176.300 -0.060 0.000 1.063 890 M CA 1.965 57.233 55.300 -0.053 0.000 1.119 890 M CB -0.351 32.253 32.600 0.006 0.000 1.377 890 M HN 0.289 nan 8.290 nan 0.000 0.415 891 N N 0.822 119.490 118.700 -0.052 0.000 2.376 891 N HA 0.307 5.047 4.740 0.001 0.000 0.249 891 N C 0.084 175.543 175.510 -0.086 0.000 1.140 891 N CA 0.055 53.081 53.050 -0.039 0.000 0.870 891 N CB 0.471 38.954 38.487 -0.006 0.000 1.124 891 N HN 0.543 nan 8.380 nan 0.000 0.505 892 G N 0.784 109.500 108.800 -0.141 0.000 2.750 892 G HA2 -0.336 3.625 3.960 0.001 0.000 0.228 892 G HA3 -0.336 3.625 3.960 0.001 0.000 0.228 892 G C 0.207 174.954 174.900 -0.255 0.000 1.367 892 G CA -0.605 44.392 45.100 -0.170 0.000 0.871 892 G HN 0.235 nan 8.290 nan 0.000 0.560 893 F N 1.318 121.176 119.950 -0.153 0.000 2.583 893 F HA 0.143 4.671 4.527 0.002 0.000 0.297 893 F C 2.834 178.539 175.800 -0.158 0.000 1.131 893 F CA 1.884 59.822 58.000 -0.102 0.000 1.467 893 F CB -0.259 38.774 39.000 0.055 0.000 1.097 893 F HN 0.672 nan 8.300 nan 0.000 0.586 894 A N -0.725 121.928 122.820 -0.278 0.000 2.016 894 A HA -0.034 4.287 4.320 0.001 0.000 0.217 894 A C 1.653 179.186 177.584 -0.086 0.000 1.162 894 A CA 0.921 52.760 52.037 -0.330 0.000 0.662 894 A CB -0.165 18.521 19.000 -0.522 0.000 0.812 894 A HN 0.141 nan 8.150 nan 0.000 0.450 895 E N -0.128 120.025 120.200 -0.078 0.000 2.405 895 E HA 0.249 4.600 4.350 0.001 0.000 0.214 895 E C -0.920 175.719 176.600 0.065 0.000 1.101 895 E CA -0.288 56.121 56.400 0.015 0.000 1.254 895 E CB -0.028 29.694 29.700 0.036 0.000 1.240 895 E HN 0.354 nan 8.360 nan 0.000 0.439 896 L N 0.728 121.975 121.223 0.039 0.000 2.417 896 L HA 0.158 4.499 4.340 0.001 0.000 0.268 896 L C -0.455 176.528 176.870 0.188 0.000 1.158 896 L CA -0.008 54.914 54.840 0.137 0.000 0.819 896 L CB 0.261 42.424 42.059 0.174 0.000 1.112 896 L HN 0.025 nan 8.230 nan 0.000 0.458 897 Y N 0.859 121.299 120.300 0.233 0.000 2.562 897 Y HA 0.719 5.270 4.550 0.002 0.000 0.343 897 Y C 0.547 176.485 175.900 0.062 0.000 1.025 897 Y CA -0.251 57.929 58.100 0.133 0.000 1.082 897 Y CB 2.164 40.694 38.460 0.117 0.000 1.264 897 Y HN 0.603 nan 8.280 nan 0.000 0.478 898 G N -0.295 108.578 108.800 0.123 0.000 3.140 898 G HA2 0.354 4.315 3.960 0.001 0.000 0.271 898 G HA3 0.354 4.315 3.960 0.001 0.000 0.271 898 G C 0.192 175.087 174.900 -0.008 0.000 1.370 898 G CA -0.506 44.600 45.100 0.011 0.000 1.014 898 G HN 0.567 nan 8.290 nan 0.000 0.541 899 S N -0.089 115.531 115.700 -0.134 0.000 2.365 899 S HA -0.161 4.310 4.470 0.001 0.000 0.225 899 S C 1.774 176.350 174.600 -0.040 0.000 1.039 899 S CA 1.903 60.033 58.200 -0.118 0.000 1.033 899 S CB -0.258 62.808 63.200 -0.223 0.000 0.887 899 S HN 0.580 nan 8.310 nan 0.000 0.447 900 N N 0.622 119.297 118.700 -0.042 0.000 2.268 900 N HA 0.422 5.163 4.740 0.001 0.000 0.204 900 N C 0.477 176.026 175.510 0.064 0.000 1.124 900 N CA 0.425 53.486 53.050 0.019 0.000 0.838 900 N CB 0.968 39.467 38.487 0.021 0.000 0.994 900 N HN 0.454 nan 8.380 nan 0.000 0.489 901 G N -0.143 108.719 108.800 0.104 0.000 2.298 901 G HA2 -0.103 3.858 3.960 0.001 0.000 0.309 901 G HA3 -0.103 3.858 3.960 0.001 0.000 0.309 901 G C -2.932 171.760 174.900 -0.347 0.000 1.279 901 G CA -1.249 43.906 45.100 0.092 0.000 1.042 901 G HN -0.148 nan 8.290 nan 0.000 0.480 902 P HA 0.338 nan 4.420 nan 0.000 0.261 902 P C -0.558 176.562 177.300 -0.300 0.000 1.183 902 P CA 0.961 63.577 63.100 -0.806 0.000 0.761 902 P CB 0.940 32.341 31.700 -0.498 0.000 0.785 903 Q N 3.599 123.289 119.800 -0.184 0.000 2.526 903 Q HA 0.304 4.645 4.340 0.001 0.000 0.238 903 Q C -1.273 174.774 176.000 0.079 0.000 0.866 903 Q CA -0.194 55.601 55.803 -0.013 0.000 0.801 903 Q CB 0.201 28.958 28.738 0.032 0.000 1.380 903 Q HN 0.262 nan 8.270 nan 0.000 0.446 904 L N 2.730 124.017 121.223 0.106 0.000 2.482 904 L HA 0.255 4.596 4.340 0.001 0.000 0.273 904 L C 0.665 177.705 176.870 0.284 0.000 1.228 904 L CA -0.408 54.562 54.840 0.217 0.000 0.827 904 L CB 0.174 42.351 42.059 0.197 0.000 1.099 904 L HN 0.604 nan 8.230 nan 0.000 0.494 905 F N 1.348 121.462 119.950 0.273 0.000 2.629 905 F HA 0.023 4.551 4.527 0.001 0.000 0.377 905 F C 0.401 176.287 175.800 0.143 0.000 1.101 905 F CA 0.174 58.356 58.000 0.303 0.000 1.301 905 F CB 0.358 39.681 39.000 0.538 0.000 1.062 905 F HN 0.381 nan 8.300 nan 0.000 0.583 906 T N 7.032 121.373 114.554 -0.354 0.000 2.907 906 T HA 0.666 5.017 4.350 0.001 0.000 0.292 906 T C -0.606 173.831 174.700 -0.438 0.000 1.043 906 T CA -0.661 61.267 62.100 -0.287 0.000 1.003 906 T CB 1.714 70.492 68.868 -0.150 0.000 1.084 906 T HN 0.421 nan 8.240 nan 0.000 0.483 907 I N 1.711 122.142 120.570 -0.231 0.000 2.500 907 I HA 0.403 4.574 4.170 0.001 0.000 0.286 907 I C -0.382 175.789 176.117 0.089 0.000 1.063 907 I CA -0.581 60.648 61.300 -0.118 0.000 1.062 907 I CB 2.054 40.028 38.000 -0.043 0.000 1.223 907 I HN 0.591 nan 8.210 nan 0.000 0.435 908 E N 5.595 125.821 120.200 0.043 0.000 2.212 908 E HA 0.301 4.652 4.350 0.001 0.000 0.268 908 E C -1.025 175.556 176.600 -0.031 0.000 0.902 908 E CA -0.712 55.695 56.400 0.011 0.000 0.779 908 E CB 2.161 31.836 29.700 -0.041 0.000 1.172 908 E HN 0.530 nan 8.360 nan 0.000 0.409 909 Q N 3.743 123.313 119.800 -0.384 0.000 2.304 909 Q HA 0.257 4.598 4.340 0.001 0.000 0.260 909 Q C -1.615 174.322 176.000 -0.105 0.000 0.965 909 Q CA -0.093 55.351 55.803 -0.598 0.000 0.898 909 Q CB 0.643 28.650 28.738 -1.218 0.000 1.196 909 Q HN 0.576 nan 8.270 nan 0.000 0.402 910 W N 4.371 125.546 121.300 -0.207 0.000 3.571 910 W HA 0.485 5.146 4.660 0.002 0.000 0.294 910 W C -0.750 175.708 176.519 -0.100 0.000 1.257 910 W CA 0.541 57.809 57.345 -0.127 0.000 1.206 910 W CB 0.701 30.118 29.460 -0.071 0.000 1.325 910 W HN 0.980 nan 8.180 nan 0.000 0.546 911 G N 2.315 110.207 108.800 -1.513 0.000 2.782 911 G HA2 0.204 4.165 3.960 0.001 0.000 0.228 911 G HA3 0.204 4.165 3.960 0.001 0.000 0.228 911 G C -0.267 174.227 174.900 -0.677 0.000 1.372 911 G CA -0.257 43.931 45.100 -1.520 0.000 0.862 911 G HN 1.684 nan 8.290 nan 0.000 0.547 912 S N -0.447 114.945 115.700 -0.513 0.000 2.687 912 S HA 0.714 5.185 4.470 0.001 0.000 0.283 912 S C -1.446 173.027 174.600 -0.212 0.000 1.170 912 S CA -0.697 57.338 58.200 -0.274 0.000 1.008 912 S CB 2.348 65.435 63.200 -0.188 0.000 1.026 912 S HN 0.445 nan 8.310 nan 0.000 0.541 913 P HA -0.049 nan 4.420 nan 0.000 0.225 913 P C 0.884 178.274 177.300 0.149 0.000 1.148 913 P CA 0.954 64.045 63.100 -0.016 0.000 0.779 913 P CB 0.017 31.773 31.700 0.093 0.000 0.780 914 E N 0.173 120.409 120.200 0.060 0.000 2.017 914 E HA -0.115 4.236 4.350 0.001 0.000 0.193 914 E C 0.492 177.165 176.600 0.123 0.000 0.997 914 E CA 0.839 57.289 56.400 0.082 0.000 0.804 914 E CB -0.436 29.283 29.700 0.031 0.000 0.757 914 E HN 0.342 nan 8.360 nan 0.000 0.448 915 K N 1.409 121.863 120.400 0.090 0.000 2.469 915 K HA 0.078 4.398 4.320 0.001 0.000 0.274 915 K C 0.036 176.798 176.600 0.270 0.000 0.983 915 K CA -0.056 56.334 56.287 0.171 0.000 0.974 915 K CB 0.479 33.082 32.500 0.171 0.000 0.913 915 K HN 0.009 nan 8.250 nan 0.000 0.493 916 L N 3.925 125.307 121.223 0.265 0.000 2.439 916 L HA 0.264 4.605 4.340 0.001 0.000 0.261 916 L C -1.743 175.322 176.870 0.325 0.000 1.153 916 L CA -2.066 52.931 54.840 0.261 0.000 0.808 916 L CB 0.459 42.603 42.059 0.142 0.000 1.126 916 L HN 0.520 nan 8.230 nan 0.000 0.460 917 P HA 0.166 nan 4.420 nan 0.000 0.271 917 P C -1.265 176.214 177.300 0.298 0.000 1.216 917 P CA -0.158 63.143 63.100 0.335 0.000 0.776 917 P CB 0.769 32.695 31.700 0.376 0.000 0.881 918 R N 1.380 121.947 120.500 0.113 0.000 2.856 918 R HA 0.890 5.230 4.340 0.001 0.000 0.258 918 R C -0.512 175.665 176.300 -0.204 0.000 1.066 918 R CA -0.981 55.091 56.100 -0.047 0.000 1.045 918 R CB 1.760 31.779 30.300 -0.468 0.000 1.178 918 R HN 0.551 nan 8.270 nan 0.000 0.499 919 A N 0.535 123.085 122.820 -0.449 0.000 2.594 919 A HA 0.467 4.788 4.320 0.001 0.000 0.295 919 A C -1.559 175.653 177.584 -0.621 0.000 1.071 919 A CA -0.834 50.831 52.037 -0.619 0.000 0.685 919 A CB 1.495 19.841 19.000 -1.091 0.000 1.285 919 A HN 0.812 nan 8.150 nan 0.000 0.405 920 H N 2.459 121.427 119.070 -0.170 0.000 2.736 920 H HA 0.186 4.743 4.556 0.001 0.000 0.271 920 H C 0.895 176.192 175.328 -0.051 0.000 1.184 920 H CA 0.362 56.387 56.048 -0.038 0.000 1.378 920 H CB 0.992 30.839 29.762 0.140 0.000 1.428 920 H HN 0.868 nan 8.280 nan 0.000 0.500 921 T N -0.688 113.852 114.554 -0.024 0.000 2.969 921 T HA -0.153 4.197 4.350 0.001 0.000 0.271 921 T C 1.606 176.263 174.700 -0.072 0.000 1.127 921 T CA 1.334 63.408 62.100 -0.044 0.000 1.102 921 T CB -0.050 68.789 68.868 -0.049 0.000 0.855 921 T HN 0.294 nan 8.240 nan 0.000 0.536 922 S N 0.619 116.235 115.700 -0.140 0.000 2.470 922 S HA 0.237 4.708 4.470 0.001 0.000 0.225 922 S C 0.699 174.927 174.600 -0.620 0.000 1.006 922 S CA 0.215 58.153 58.200 -0.437 0.000 0.934 922 S CB -0.228 62.559 63.200 -0.689 0.000 0.778 922 S HN 0.670 nan 8.310 nan 0.000 0.517 923 F N 1.189 121.133 119.950 -0.010 0.000 2.735 923 F HA 0.390 4.918 4.527 0.002 0.000 0.308 923 F C 0.232 176.012 175.800 -0.033 0.000 1.112 923 F CA -0.890 57.089 58.000 -0.035 0.000 1.235 923 F CB -0.404 38.543 39.000 -0.088 0.000 1.027 923 F HN -0.083 nan 8.300 nan 0.000 0.528 924 N N 1.852 120.611 118.700 0.099 0.000 2.708 924 N HA -0.256 4.484 4.740 0.001 0.000 0.251 924 N C 0.129 175.596 175.510 -0.071 0.000 1.017 924 N CA 0.654 53.741 53.050 0.062 0.000 0.742 924 N CB -0.753 37.828 38.487 0.157 0.000 0.943 924 N HN 0.478 nan 8.380 nan 0.000 0.539 925 R N 0.026 120.505 120.500 -0.035 0.000 2.720 925 R HA 0.626 4.967 4.340 0.001 0.000 0.272 925 R C -0.476 175.716 176.300 -0.180 0.000 0.991 925 R CA -0.777 55.252 56.100 -0.118 0.000 1.010 925 R CB 0.986 31.292 30.300 0.010 0.000 1.141 925 R HN 0.129 nan 8.270 nan 0.000 0.494 926 L N 2.194 123.280 121.223 -0.228 0.000 2.404 926 L HA 0.352 4.693 4.340 0.001 0.000 0.272 926 L C -1.590 175.232 176.870 -0.079 0.000 0.980 926 L CA -0.371 54.355 54.840 -0.189 0.000 0.836 926 L CB 1.909 43.830 42.059 -0.230 0.000 1.238 926 L HN 0.531 nan 8.230 nan 0.000 0.408 927 D N 5.569 125.935 120.400 -0.057 0.000 2.365 927 D HA 0.236 4.877 4.640 0.001 0.000 0.237 927 D C -0.630 175.784 176.300 0.190 0.000 1.190 927 D CA 0.080 54.099 54.000 0.031 0.000 0.867 927 D CB 1.659 42.316 40.800 -0.237 0.000 1.050 927 D HN 0.306 nan 8.370 nan 0.000 0.491 928 L N 5.883 127.245 121.223 0.231 0.000 2.277 928 L HA 0.332 4.673 4.340 0.001 0.000 0.284 928 L C -2.371 174.622 176.870 0.206 0.000 1.028 928 L CA -2.104 52.884 54.840 0.246 0.000 0.835 928 L CB 1.394 43.563 42.059 0.182 0.000 1.215 928 L HN 0.062 nan 8.230 nan 0.000 0.425 929 P HA 0.134 nan 4.420 nan 0.000 0.268 929 P C -2.672 174.404 177.300 -0.373 0.000 1.204 929 P CA -1.354 61.604 63.100 -0.238 0.000 0.768 929 P CB -0.023 31.448 31.700 -0.380 0.000 0.842 930 P HA 0.026 nan 4.420 nan 0.000 0.263 930 P C -0.633 176.646 177.300 -0.034 0.000 1.276 930 P CA 0.345 63.456 63.100 0.019 0.000 0.986 930 P CB -0.386 31.355 31.700 0.069 0.000 1.105 931 Y N 1.779 122.220 120.300 0.236 0.000 2.336 931 Y HA 0.053 4.604 4.550 0.001 0.000 0.331 931 Y C 2.063 178.169 175.900 0.344 0.000 1.211 931 Y CA 0.010 58.253 58.100 0.238 0.000 1.346 931 Y CB 0.558 39.151 38.460 0.221 0.000 1.271 931 Y HN 0.362 nan 8.280 nan 0.000 0.538 932 E N 0.387 120.856 120.200 0.447 0.000 2.170 932 E HA -0.019 4.332 4.350 0.001 0.000 0.191 932 E C 0.431 177.263 176.600 0.387 0.000 0.981 932 E CA 1.009 57.630 56.400 0.369 0.000 0.830 932 E CB 0.154 29.984 29.700 0.217 0.000 0.775 932 E HN 0.649 nan 8.360 nan 0.000 0.470 933 T N -2.850 111.789 114.554 0.142 0.000 2.906 933 T HA 0.281 4.632 4.350 0.001 0.000 0.295 933 T C 0.486 174.750 174.700 -0.725 0.000 1.061 933 T CA -0.871 61.067 62.100 -0.271 0.000 1.000 933 T CB 1.466 70.248 68.868 -0.144 0.000 1.103 933 T HN -0.089 nan 8.240 nan 0.000 0.486 934 F N 1.893 121.010 119.950 -1.388 0.000 2.046 934 F HA -0.001 4.527 4.527 0.001 0.000 0.297 934 F C 2.131 177.605 175.800 -0.543 0.000 1.123 934 F CA 1.943 59.203 58.000 -1.233 0.000 1.199 934 F CB -0.359 37.968 39.000 -1.122 0.000 0.972 934 F HN 0.736 nan 8.300 nan 0.000 0.474 935 E N 0.132 120.035 120.200 -0.496 0.000 2.268 935 E HA -0.173 4.178 4.350 0.001 0.000 0.195 935 E C 1.737 178.081 176.600 -0.427 0.000 0.995 935 E CA 1.123 57.249 56.400 -0.458 0.000 0.836 935 E CB -0.409 29.180 29.700 -0.185 0.000 0.763 935 E HN 0.469 nan 8.360 nan 0.000 0.491 936 D N -0.329 119.844 120.400 -0.379 0.000 2.097 936 D HA -0.135 4.506 4.640 0.001 0.000 0.195 936 D C 1.804 177.733 176.300 -0.618 0.000 0.989 936 D CA 0.713 54.511 54.000 -0.337 0.000 0.827 936 D CB -0.007 40.700 40.800 -0.155 0.000 0.966 936 D HN 0.209 nan 8.370 nan 0.000 0.456 937 L N 0.074 120.923 121.223 -0.624 0.000 2.005 937 L HA -0.073 4.268 4.340 0.001 0.000 0.207 937 L C 2.513 179.046 176.870 -0.561 0.000 1.072 937 L CA 1.165 55.582 54.840 -0.706 0.000 0.744 937 L CB -0.267 41.729 42.059 -0.104 0.000 0.895 937 L HN -0.077 nan 8.230 nan 0.000 0.433 938 R N -0.138 119.989 120.500 -0.622 0.000 2.117 938 R HA -0.230 4.111 4.340 0.001 0.000 0.243 938 R C 2.052 178.147 176.300 -0.342 0.000 1.143 938 R CA 2.227 58.015 56.100 -0.519 0.000 0.968 938 R CB -0.204 29.666 30.300 -0.718 0.000 0.863 938 R HN 0.585 nan 8.270 nan 0.000 0.444 939 E N -0.240 119.753 120.200 -0.345 0.000 2.072 939 E HA -0.136 4.215 4.350 0.001 0.000 0.190 939 E C 1.935 178.413 176.600 -0.204 0.000 0.982 939 E CA 0.789 57.047 56.400 -0.236 0.000 0.803 939 E CB 0.101 29.675 29.700 -0.210 0.000 0.755 939 E HN 0.188 nan 8.360 nan 0.000 0.453 940 K N 0.585 120.817 120.400 -0.280 0.000 2.217 940 K HA -0.071 4.250 4.320 0.001 0.000 0.202 940 K C 2.149 178.706 176.600 -0.072 0.000 1.051 940 K CA 0.434 56.622 56.287 -0.166 0.000 0.952 940 K CB -0.153 32.214 32.500 -0.222 0.000 0.736 940 K HN 0.092 nan 8.250 nan 0.000 0.453 941 L N 1.124 122.289 121.223 -0.096 0.000 2.034 941 L HA -0.006 4.335 4.340 0.001 0.000 0.203 941 L C 2.088 178.934 176.870 -0.039 0.000 1.074 941 L CA 1.273 56.115 54.840 0.004 0.000 0.748 941 L CB -0.608 41.466 42.059 0.026 0.000 0.905 941 L HN -0.004 nan 8.230 nan 0.000 0.439 942 L N -1.031 120.142 121.223 -0.082 0.000 2.263 942 L HA -0.272 4.068 4.340 0.001 0.000 0.216 942 L C 2.565 179.390 176.870 -0.074 0.000 1.111 942 L CA 1.262 56.058 54.840 -0.072 0.000 0.773 942 L CB -0.419 41.588 42.059 -0.086 0.000 0.906 942 L HN 0.450 nan 8.230 nan 0.000 0.439 943 M N -1.220 118.330 119.600 -0.083 0.000 2.134 943 M HA -0.131 4.350 4.480 0.001 0.000 0.262 943 M C 2.522 178.753 176.300 -0.116 0.000 1.076 943 M CA 1.695 56.946 55.300 -0.082 0.000 1.143 943 M CB -0.252 32.307 32.600 -0.068 0.000 1.346 943 M HN 0.324 nan 8.290 nan 0.000 0.421 944 A N -0.058 122.675 122.820 -0.145 0.000 1.883 944 A HA -0.153 4.168 4.320 0.001 0.000 0.217 944 A C 2.105 179.434 177.584 -0.424 0.000 1.186 944 A CA 1.958 53.814 52.037 -0.302 0.000 0.624 944 A CB -1.189 17.618 19.000 -0.322 0.000 0.822 944 A HN 0.346 nan 8.150 nan 0.000 0.444 945 V N 0.340 120.087 119.914 -0.279 0.000 2.252 945 V HA -0.284 3.837 4.120 0.001 0.000 0.249 945 V C 2.640 178.668 176.094 -0.109 0.000 1.056 945 V CA 2.382 64.582 62.300 -0.166 0.000 1.022 945 V CB -0.757 31.060 31.823 -0.011 0.000 0.641 945 V HN 0.578 nan 8.190 nan 0.000 0.445 946 E N 0.393 120.543 120.200 -0.084 0.000 2.005 946 E HA -0.126 4.225 4.350 0.001 0.000 0.191 946 E C 1.392 177.953 176.600 -0.064 0.000 0.987 946 E CA 0.898 57.266 56.400 -0.054 0.000 0.814 946 E CB -0.622 29.052 29.700 -0.044 0.000 0.772 946 E HN 0.667 nan 8.360 nan 0.000 0.453 947 N N 1.109 119.763 118.700 -0.076 0.000 3.105 947 N HA 0.159 4.900 4.740 0.001 0.000 0.309 947 N C -0.320 175.135 175.510 -0.092 0.000 1.291 947 N CA -0.500 52.510 53.050 -0.067 0.000 1.153 947 N CB 0.173 38.625 38.487 -0.059 0.000 1.447 947 N HN 0.104 nan 8.380 nan 0.000 0.555 948 A N 0.147 122.912 122.820 -0.090 0.000 2.475 948 A HA 0.539 4.860 4.320 0.001 0.000 0.281 948 A C 0.331 177.909 177.584 -0.011 0.000 1.263 948 A CA -0.467 51.515 52.037 -0.092 0.000 0.776 948 A CB 1.184 20.061 19.000 -0.206 0.000 1.347 948 A HN 0.358 nan 8.150 nan 0.000 0.443 949 Q N -1.789 118.035 119.800 0.040 0.000 2.504 949 Q HA -0.145 4.195 4.340 0.001 0.000 0.269 949 Q C 0.125 176.156 176.000 0.052 0.000 0.970 949 Q CA 0.894 56.740 55.803 0.071 0.000 1.064 949 Q CB -1.614 27.156 28.738 0.054 0.000 1.355 949 Q HN 1.935 nan 8.270 nan 0.000 0.557 950 G N 0.000 108.828 108.800 0.046 0.000 5.446 950 G HA2 0.000 3.961 3.960 0.001 0.000 0.244 950 G HA3 0.000 3.961 3.960 0.001 0.000 0.244 950 G CA 0.000 45.124 45.100 0.040 0.000 0.502 950 G HN 0.000 nan 8.290 nan 0.000 0.925