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 1nvu_1_S DATA FIRST_RESID 566 DATA SEQUENCE QMRLPSADVY RFAEPDSEEN IIFEEXXXXX XGIPIIKAGT VIKLIERLTY DATA SEQUENCE HMYADPNFVR TFLTTYRSFC KPQELLSLII ERFEIPEPEP TEADRIAIEN DATA SEQUENCE GDQPLSAELK RFRKEYIQPV QLRVLNVCRH WVEHHFYDFE RDAYLLQRME DATA SEQUENCE EFIGTVRGKA MKKWVESITK IIQRKKIAXX XXXXHNITFQ SSPPTVEWHI DATA SEQUENCE SRPGHIETFD LLTLHPIEIA RQLTLLESDL YRAVQPSELV GSVWTKEDKE DATA SEQUENCE INSPNLLKMI RHTTNLTLWF EKCIVETENL EERVAVVSRI IEILQVFQEL DATA SEQUENCE NNFNGVLEVV SAMNSSPVYR LDHTFEQIPS RQKKILEEAH ELSEDHYKKY DATA SEQUENCE LAKLRSINPP CVPFFGIYLT NILKTEEGNP EVLKRHGKEL INFSKRRKVA DATA SEQUENCE EITGEIQQYQ NQPYCLRVES DIKRFFENLN PMGNSMEKEF TDYLFNKSLE DATA SEQUENCE IEPRNPKPLP RFPKKYSYPL KSPGVRPSNP R 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 566 Q HA 0.000 nan 4.340 nan 0.000 0.214 566 Q C 0.000 176.015 176.000 0.026 0.000 1.003 566 Q CA 0.000 55.819 55.803 0.027 0.000 1.022 566 Q CB 0.000 28.748 28.738 0.017 0.000 1.108 567 M N 3.639 123.264 119.600 0.042 0.000 2.268 567 M HA 0.597 5.079 4.480 0.004 0.000 0.344 567 M C -0.808 175.499 176.300 0.011 0.000 1.106 567 M CA -0.503 54.824 55.300 0.045 0.000 1.010 567 M CB 0.931 33.588 32.600 0.095 0.000 1.649 567 M HN 0.642 nan 8.290 nan 0.000 0.443 568 R N 3.902 124.376 120.500 -0.043 0.000 2.490 568 R HA 0.529 4.871 4.340 0.004 0.000 0.280 568 R C -0.904 175.289 176.300 -0.178 0.000 1.077 568 R CA -0.253 55.780 56.100 -0.111 0.000 1.065 568 R CB 0.680 30.885 30.300 -0.158 0.000 1.003 568 R HN 0.695 nan 8.270 nan 0.000 0.470 569 L N 2.819 123.939 121.223 -0.172 0.000 2.331 569 L HA 0.510 4.852 4.340 0.004 0.000 0.268 569 L C -1.892 174.844 176.870 -0.223 0.000 1.015 569 L CA -2.362 52.345 54.840 -0.223 0.000 0.807 569 L CB 1.069 43.040 42.059 -0.147 0.000 1.293 569 L HN 0.350 nan 8.230 nan 0.000 0.451 570 P HA 0.092 nan 4.420 nan 0.000 0.271 570 P C -0.951 176.339 177.300 -0.018 0.000 1.233 570 P CA -0.328 62.693 63.100 -0.131 0.000 0.789 570 P CB 0.441 32.081 31.700 -0.100 0.000 0.951 571 S N 0.757 116.450 115.700 -0.012 0.000 2.531 571 S HA 0.211 4.683 4.470 0.004 0.000 0.279 571 S C 1.410 176.049 174.600 0.065 0.000 1.305 571 S CA -0.027 58.180 58.200 0.011 0.000 1.058 571 S CB 0.619 63.816 63.200 -0.005 0.000 0.899 571 S HN 0.545 nan 8.310 nan 0.000 0.493 572 A N 2.314 125.162 122.820 0.047 0.000 2.259 572 A HA -0.094 4.228 4.320 0.004 0.000 0.212 572 A C 1.436 179.031 177.584 0.018 0.000 1.178 572 A CA 0.948 53.008 52.037 0.038 0.000 0.734 572 A CB -0.231 18.775 19.000 0.010 0.000 0.774 572 A HN 0.770 nan 8.150 nan 0.000 0.481 573 D N -0.858 119.558 120.400 0.026 0.000 2.346 573 D HA 0.008 4.650 4.640 0.004 0.000 0.206 573 D C 1.641 177.963 176.300 0.036 0.000 1.001 573 D CA 1.518 55.528 54.000 0.017 0.000 0.871 573 D CB 0.477 41.282 40.800 0.008 0.000 0.943 573 D HN 0.503 nan 8.370 nan 0.000 0.518 574 V N -2.799 117.158 119.914 0.073 0.000 3.477 574 V HA 0.300 4.422 4.120 0.004 0.000 0.297 574 V C -0.450 175.773 176.094 0.215 0.000 1.433 574 V CA -0.425 61.937 62.300 0.104 0.000 1.052 574 V CB -0.091 31.779 31.823 0.078 0.000 0.895 574 V HN -0.035 nan 8.190 nan 0.000 0.438 575 Y N 1.453 121.771 120.300 0.030 0.000 2.298 575 Y HA 0.551 5.103 4.550 0.004 0.000 0.322 575 Y C 0.968 176.881 175.900 0.022 0.000 1.138 575 Y CA -1.400 56.746 58.100 0.076 0.000 1.127 575 Y CB 1.639 40.170 38.460 0.118 0.000 1.178 575 Y HN 0.077 nan 8.280 nan 0.000 0.428 576 R N 2.893 123.174 120.500 -0.365 0.000 2.237 576 R HA -0.040 4.302 4.340 0.004 0.000 0.219 576 R C 0.309 176.212 176.300 -0.661 0.000 1.080 576 R CA 1.306 57.099 56.100 -0.511 0.000 0.995 576 R CB -0.126 29.785 30.300 -0.647 0.000 0.875 576 R HN 0.476 nan 8.270 nan 0.000 0.462 577 F N 0.420 120.015 119.950 -0.590 0.000 2.693 577 F HA 0.281 4.810 4.527 0.004 0.000 0.303 577 F C 1.607 177.380 175.800 -0.045 0.000 1.143 577 F CA -0.090 57.704 58.000 -0.343 0.000 1.389 577 F CB 0.431 39.171 39.000 -0.434 0.000 1.060 577 F HN 0.044 nan 8.300 nan 0.000 0.535 578 A N -1.498 121.389 122.820 0.111 0.000 2.431 578 A HA 0.160 4.482 4.320 0.004 0.000 0.239 578 A C 0.893 178.537 177.584 0.100 0.000 1.230 578 A CA -0.160 51.993 52.037 0.193 0.000 0.928 578 A CB -0.047 19.099 19.000 0.244 0.000 1.006 578 A HN -0.010 nan 8.150 nan 0.000 0.520 579 E N 2.178 122.401 120.200 0.038 0.000 2.442 579 E HA 0.119 4.471 4.350 0.004 0.000 0.262 579 E C -2.236 174.399 176.600 0.059 0.000 1.004 579 E CA -1.133 55.280 56.400 0.022 0.000 0.928 579 E CB 0.374 30.061 29.700 -0.021 0.000 0.937 579 E HN 0.343 nan 8.360 nan 0.000 0.446 580 P HA 0.087 nan 4.420 nan 0.000 0.274 580 P C -0.460 176.888 177.300 0.080 0.000 1.237 580 P CA -0.353 62.794 63.100 0.079 0.000 0.793 580 P CB 0.654 32.391 31.700 0.062 0.000 0.977 581 D N 0.107 120.574 120.400 0.112 0.000 2.382 581 D HA 0.297 4.940 4.640 0.004 0.000 0.245 581 D C 0.538 176.894 176.300 0.093 0.000 1.120 581 D CA 0.630 54.700 54.000 0.117 0.000 0.890 581 D CB 0.368 41.285 40.800 0.195 0.000 1.201 581 D HN 0.394 nan 8.370 nan 0.000 0.433 582 S N 0.579 116.321 115.700 0.070 0.000 2.596 582 S HA 0.228 4.700 4.470 0.004 0.000 0.270 582 S C 0.515 175.150 174.600 0.058 0.000 1.155 582 S CA -0.800 57.436 58.200 0.060 0.000 0.827 582 S CB 1.739 64.959 63.200 0.033 0.000 1.130 582 S HN 0.209 nan 8.310 nan 0.000 0.467 583 E N 0.782 121.025 120.200 0.072 0.000 2.463 583 E HA -0.087 4.265 4.350 0.004 0.000 0.201 583 E C 0.811 177.469 176.600 0.097 0.000 1.045 583 E CA 0.908 57.362 56.400 0.090 0.000 0.872 583 E CB -0.027 29.752 29.700 0.131 0.000 0.797 583 E HN 0.760 nan 8.360 nan 0.000 0.538 584 E N -0.080 120.165 120.200 0.075 0.000 2.472 584 E HA 0.017 4.369 4.350 0.004 0.000 0.196 584 E C 1.292 177.904 176.600 0.019 0.000 1.033 584 E CA 0.140 56.583 56.400 0.071 0.000 0.886 584 E CB 0.226 29.959 29.700 0.054 0.000 0.944 584 E HN 0.372 nan 8.360 nan 0.000 0.492 585 N N -0.344 118.355 118.700 -0.003 0.000 2.129 585 N HA 0.136 4.878 4.740 0.004 0.000 0.222 585 N C 0.108 175.572 175.510 -0.075 0.000 1.303 585 N CA -0.092 52.938 53.050 -0.032 0.000 0.897 585 N CB 1.411 39.884 38.487 -0.025 0.000 1.093 585 N HN -0.057 nan 8.380 nan 0.000 0.501 586 I N 1.068 121.580 120.570 -0.097 0.000 2.743 586 I HA 0.431 4.603 4.170 0.004 0.000 0.292 586 I C -1.971 173.982 176.117 -0.272 0.000 1.343 586 I CA -0.729 60.433 61.300 -0.229 0.000 1.038 586 I CB 2.396 40.218 38.000 -0.295 0.000 1.311 586 I HN -0.063 nan 8.210 nan 0.000 0.426 587 I N 6.851 127.208 120.570 -0.356 0.000 2.498 587 I HA 0.432 4.604 4.170 0.004 0.000 0.290 587 I C -1.164 174.729 176.117 -0.373 0.000 1.032 587 I CA -0.501 60.655 61.300 -0.240 0.000 1.073 587 I CB 1.916 39.860 38.000 -0.094 0.000 1.251 587 I HN 0.319 nan 8.210 nan 0.000 0.426 588 F N 2.666 122.629 119.950 0.023 0.000 2.432 588 F HA 0.408 4.937 4.527 0.004 0.000 0.329 588 F C 0.596 176.411 175.800 0.026 0.000 1.076 588 F CA -0.757 57.258 58.000 0.026 0.000 1.018 588 F CB 1.058 40.065 39.000 0.012 0.000 1.201 588 F HN 0.348 nan 8.300 nan 0.000 0.489 589 E N 1.972 122.309 120.200 0.227 0.000 2.316 589 E HA 0.107 4.459 4.350 0.004 0.000 0.275 589 E C -0.188 176.483 176.600 0.118 0.000 1.029 589 E CA -0.243 56.236 56.400 0.131 0.000 0.871 589 E CB 0.362 30.128 29.700 0.109 0.000 1.022 589 E HN 0.289 nan 8.360 nan 0.000 0.418 598 I N 0.289 120.713 120.570 -0.243 0.000 2.797 598 I HA 0.777 4.949 4.170 0.004 0.000 0.310 598 I C -2.061 173.862 176.117 -0.323 0.000 0.990 598 I CA -2.422 58.596 61.300 -0.470 0.000 1.228 598 I CB 1.008 38.564 38.000 -0.740 0.000 1.406 598 I HN 0.158 nan 8.210 nan 0.000 0.534 599 P HA 0.370 nan 4.420 nan 0.000 0.272 599 P C -0.922 176.419 177.300 0.067 0.000 1.223 599 P CA 0.010 63.027 63.100 -0.139 0.000 0.784 599 P CB 0.588 32.164 31.700 -0.206 0.000 0.923 600 I N 2.638 123.326 120.570 0.195 0.000 2.389 600 I HA 0.318 4.490 4.170 0.004 0.000 0.288 600 I C 0.087 176.395 176.117 0.319 0.000 0.999 600 I CA -0.759 60.682 61.300 0.236 0.000 1.129 600 I CB 1.171 39.259 38.000 0.147 0.000 1.288 600 I HN 0.163 nan 8.210 nan 0.000 0.444 601 I N 6.599 127.355 120.570 0.311 0.000 2.416 601 I HA 0.097 4.269 4.170 0.004 0.000 0.288 601 I C 1.277 177.497 176.117 0.172 0.000 1.051 601 I CA 0.105 61.493 61.300 0.147 0.000 1.375 601 I CB 1.080 39.145 38.000 0.107 0.000 1.407 601 I HN 0.684 nan 8.210 nan 0.000 0.516 602 K N 5.627 126.052 120.400 0.042 0.000 2.168 602 K HA 0.324 4.646 4.320 0.004 0.000 0.201 602 K C 0.417 177.043 176.600 0.043 0.000 1.049 602 K CA 0.619 56.939 56.287 0.055 0.000 0.974 602 K CB 0.431 32.945 32.500 0.022 0.000 0.792 602 K HN 0.770 nan 8.250 nan 0.000 0.463 603 A N -0.533 122.262 122.820 -0.042 0.000 2.610 603 A HA 0.675 4.997 4.320 0.004 0.000 0.291 603 A C -0.912 176.584 177.584 -0.147 0.000 1.086 603 A CA -0.377 51.623 52.037 -0.062 0.000 0.677 603 A CB 1.554 20.518 19.000 -0.059 0.000 1.278 603 A HN 0.333 nan 8.150 nan 0.000 0.414 604 G N -0.712 107.999 108.800 -0.147 0.000 2.368 604 G HA2 0.652 4.614 3.960 0.004 0.000 0.293 604 G HA3 0.652 4.614 3.960 0.004 0.000 0.293 604 G C -0.409 174.410 174.900 -0.135 0.000 1.467 604 G CA 0.369 45.374 45.100 -0.158 0.000 0.804 604 G HN 1.741 nan 8.290 nan 0.000 0.535 605 T N -1.485 113.012 114.554 -0.096 0.000 2.828 605 T HA 0.410 4.762 4.350 0.004 0.000 0.290 605 T C 1.664 176.336 174.700 -0.047 0.000 1.019 605 T CA 0.189 62.249 62.100 -0.066 0.000 1.031 605 T CB 1.430 70.272 68.868 -0.044 0.000 1.001 605 T HN 0.797 nan 8.240 nan 0.000 0.531 606 V N 1.426 121.344 119.914 0.007 0.000 2.332 606 V HA -0.158 3.964 4.120 0.004 0.000 0.248 606 V C 2.616 178.784 176.094 0.124 0.000 1.055 606 V CA 1.427 63.796 62.300 0.115 0.000 1.038 606 V CB -0.912 31.033 31.823 0.202 0.000 0.651 606 V HN 0.782 nan 8.190 nan 0.000 0.450 607 I N -0.181 120.425 120.570 0.059 0.000 2.226 607 I HA -0.204 3.968 4.170 0.004 0.000 0.245 607 I C 2.446 178.628 176.117 0.108 0.000 1.100 607 I CA 1.693 63.026 61.300 0.054 0.000 1.374 607 I CB -0.987 36.922 38.000 -0.153 0.000 1.057 607 I HN 0.297 nan 8.210 nan 0.000 0.413 608 K N 0.471 120.886 120.400 0.026 0.000 2.103 608 K HA -0.086 4.236 4.320 0.004 0.000 0.204 608 K C 1.892 178.476 176.600 -0.027 0.000 1.052 608 K CA 0.768 57.058 56.287 0.005 0.000 0.945 608 K CB -0.374 32.093 32.500 -0.055 0.000 0.722 608 K HN 0.029 nan 8.250 nan 0.000 0.443 609 L N 0.619 121.828 121.223 -0.025 0.000 2.046 609 L HA -0.066 4.276 4.340 0.004 0.000 0.208 609 L C 1.956 178.794 176.870 -0.052 0.000 1.077 609 L CA 1.568 56.397 54.840 -0.019 0.000 0.747 609 L CB -0.520 41.574 42.059 0.058 0.000 0.896 609 L HN 0.186 nan 8.230 nan 0.000 0.432 610 I N -0.982 119.575 120.570 -0.022 0.000 2.315 610 I HA -0.274 3.899 4.170 0.004 0.000 0.248 610 I C 2.488 178.488 176.117 -0.195 0.000 1.117 610 I CA 1.027 62.225 61.300 -0.170 0.000 1.404 610 I CB -0.202 37.788 38.000 -0.018 0.000 1.071 610 I HN 0.413 nan 8.210 nan 0.000 0.419 611 E N 1.134 121.321 120.200 -0.022 0.000 2.051 611 E HA -0.239 4.113 4.350 0.004 0.000 0.192 611 E C 2.348 178.908 176.600 -0.066 0.000 0.991 611 E CA 1.112 57.520 56.400 0.012 0.000 0.799 611 E CB 0.128 29.953 29.700 0.209 0.000 0.748 611 E HN 0.277 nan 8.360 nan 0.000 0.449 612 R N 0.372 120.745 120.500 -0.213 0.000 2.115 612 R HA -0.105 4.238 4.340 0.004 0.000 0.230 612 R C 2.488 178.334 176.300 -0.757 0.000 1.111 612 R CA 0.525 56.334 56.100 -0.485 0.000 0.976 612 R CB -0.839 29.115 30.300 -0.577 0.000 0.870 612 R HN 0.285 nan 8.270 nan 0.000 0.445 613 L N 1.454 122.249 121.223 -0.714 0.000 2.187 613 L HA -0.114 4.228 4.340 0.004 0.000 0.213 613 L C 1.243 177.894 176.870 -0.365 0.000 1.100 613 L CA 2.070 56.571 54.840 -0.567 0.000 0.765 613 L CB -0.339 41.457 42.059 -0.438 0.000 0.904 613 L HN 0.229 nan 8.230 nan 0.000 0.437 614 T N -4.316 110.047 114.554 -0.318 0.000 3.380 614 T HA 0.168 4.520 4.350 0.004 0.000 0.289 614 T C 0.102 174.671 174.700 -0.218 0.000 1.012 614 T CA -0.567 61.383 62.100 -0.250 0.000 0.944 614 T CB -0.828 67.886 68.868 -0.258 0.000 1.172 614 T HN 0.080 nan 8.240 nan 0.000 0.502 615 Y N 4.204 124.259 120.300 -0.408 0.000 2.683 615 Y HA 0.064 4.616 4.550 0.004 0.000 0.340 615 Y C 1.949 177.604 175.900 -0.409 0.000 1.245 615 Y CA -0.178 57.668 58.100 -0.422 0.000 1.485 615 Y CB 0.683 38.729 38.460 -0.689 0.000 1.328 615 Y HN 0.459 nan 8.280 nan 0.000 0.603 616 H N 2.254 120.809 119.070 -0.857 0.000 2.562 616 H HA 0.012 4.570 4.556 0.004 0.000 0.267 616 H C 1.206 176.224 175.328 -0.517 0.000 0.959 616 H CA 0.810 56.457 56.048 -0.668 0.000 1.204 616 H CB 0.101 29.411 29.762 -0.753 0.000 1.430 616 H HN 0.578 nan 8.280 nan 0.000 0.545 617 M N 0.741 119.634 119.600 -1.178 0.000 2.388 617 M HA 0.088 4.570 4.480 0.004 0.000 0.265 617 M C -0.035 176.139 176.300 -0.209 0.000 1.088 617 M CA 0.581 55.498 55.300 -0.638 0.000 1.134 617 M CB -0.446 31.892 32.600 -0.436 0.000 1.384 617 M HN 0.357 nan 8.290 nan 0.000 0.447 618 Y N -3.209 117.057 120.300 -0.056 0.000 2.689 618 Y HA 0.750 5.302 4.550 0.004 0.000 0.333 618 Y C -1.173 174.707 175.900 -0.033 0.000 1.208 618 Y CA -2.511 55.569 58.100 -0.033 0.000 1.055 618 Y CB 0.265 38.720 38.460 -0.008 0.000 1.304 618 Y HN -0.103 nan 8.280 nan 0.000 0.455 619 A N 0.711 123.679 122.820 0.247 0.000 2.306 619 A HA 0.694 5.016 4.320 0.004 0.000 0.330 619 A C -1.221 176.491 177.584 0.215 0.000 1.146 619 A CA -0.173 51.952 52.037 0.146 0.000 0.827 619 A CB 0.918 19.957 19.000 0.065 0.000 1.178 619 A HN 0.763 nan 8.150 nan 0.000 0.490 620 D N 1.253 121.746 120.400 0.154 0.000 2.826 620 D HA 0.282 4.924 4.640 0.004 0.000 0.239 620 D C -2.388 174.003 176.300 0.152 0.000 1.329 620 D CA -0.821 53.282 54.000 0.172 0.000 0.854 620 D CB 0.946 41.897 40.800 0.252 0.000 1.494 620 D HN 0.088 nan 8.370 nan 0.000 0.540 621 P HA -0.075 nan 4.420 nan 0.000 0.221 621 P C 1.185 178.536 177.300 0.084 0.000 1.145 621 P CA 0.769 63.896 63.100 0.044 0.000 0.795 621 P CB 0.384 32.105 31.700 0.034 0.000 0.775 622 N N -1.447 117.328 118.700 0.124 0.000 2.188 622 N HA -0.150 4.592 4.740 0.004 0.000 0.184 622 N C 1.370 176.992 175.510 0.186 0.000 1.018 622 N CA 0.839 53.966 53.050 0.127 0.000 0.858 622 N CB -0.743 37.812 38.487 0.113 0.000 0.989 622 N HN 0.004 nan 8.380 nan 0.000 0.426 623 F N 0.161 120.181 119.950 0.118 0.000 2.134 623 F HA -0.131 4.398 4.527 0.004 0.000 0.299 623 F C 2.029 177.941 175.800 0.187 0.000 1.097 623 F CA 0.917 59.033 58.000 0.192 0.000 1.264 623 F CB -0.183 38.907 39.000 0.150 0.000 1.001 623 F HN -0.132 nan 8.300 nan 0.000 0.479 624 V N 0.846 120.960 119.914 0.333 0.000 2.287 624 V HA -0.332 3.790 4.120 0.004 0.000 0.248 624 V C 2.518 178.708 176.094 0.159 0.000 1.053 624 V CA 2.366 64.778 62.300 0.185 0.000 1.027 624 V CB -0.808 31.004 31.823 -0.018 0.000 0.646 624 V HN 0.321 nan 8.190 nan 0.000 0.447 625 R N -0.267 120.313 120.500 0.133 0.000 2.075 625 R HA -0.153 4.189 4.340 0.004 0.000 0.232 625 R C 2.385 178.761 176.300 0.126 0.000 1.126 625 R CA 2.038 58.236 56.100 0.163 0.000 0.963 625 R CB -0.495 29.890 30.300 0.141 0.000 0.858 625 R HN 0.534 nan 8.270 nan 0.000 0.435 626 T N 0.800 115.404 114.554 0.085 0.000 2.684 626 T HA -0.184 4.168 4.350 0.004 0.000 0.267 626 T C 1.356 176.090 174.700 0.057 0.000 1.036 626 T CA 1.684 63.787 62.100 0.004 0.000 1.148 626 T CB -0.415 68.387 68.868 -0.109 0.000 0.863 626 T HN 0.257 nan 8.240 nan 0.000 0.436 627 F N 1.513 121.479 119.950 0.026 0.000 2.075 627 F HA -0.002 4.527 4.527 0.004 0.000 0.297 627 F C 2.025 177.852 175.800 0.045 0.000 1.113 627 F CA 1.189 59.263 58.000 0.123 0.000 1.218 627 F CB -0.428 38.640 39.000 0.114 0.000 0.984 627 F HN 0.026 nan 8.300 nan 0.000 0.472 628 L N -0.608 120.713 121.223 0.164 0.000 2.191 628 L HA -0.223 4.119 4.340 0.004 0.000 0.212 628 L C 2.145 178.829 176.870 -0.309 0.000 1.103 628 L CA 1.650 56.386 54.840 -0.173 0.000 0.769 628 L CB -0.951 40.855 42.059 -0.421 0.000 0.908 628 L HN 0.209 nan 8.230 nan 0.000 0.438 629 T N -1.970 112.516 114.554 -0.114 0.000 2.978 629 T HA -0.079 4.273 4.350 0.004 0.000 0.262 629 T C 1.707 176.355 174.700 -0.086 0.000 1.063 629 T CA 1.640 63.749 62.100 0.014 0.000 1.140 629 T CB -0.022 68.906 68.868 0.101 0.000 0.886 629 T HN 0.506 nan 8.240 nan 0.000 0.470 630 T N -0.632 113.823 114.554 -0.166 0.000 3.040 630 T HA 0.114 4.466 4.350 0.004 0.000 0.266 630 T C 1.714 176.132 174.700 -0.470 0.000 1.005 630 T CA -0.374 61.587 62.100 -0.232 0.000 0.906 630 T CB -0.590 68.204 68.868 -0.123 0.000 1.082 630 T HN 0.516 nan 8.240 nan 0.000 0.531 631 Y N 2.432 122.254 120.300 -0.797 0.000 2.333 631 Y HA 0.147 4.700 4.550 0.004 0.000 0.290 631 Y C 2.166 177.308 175.900 -1.264 0.000 1.144 631 Y CA 0.458 57.639 58.100 -1.531 0.000 1.228 631 Y CB -0.553 36.911 38.460 -1.660 0.000 0.985 631 Y HN 0.040 nan 8.280 nan 0.000 0.542 632 R N 0.922 120.553 120.500 -1.448 0.000 2.200 632 R HA -0.132 4.210 4.340 0.004 0.000 0.234 632 R C 2.288 178.282 176.300 -0.510 0.000 1.127 632 R CA 1.392 56.920 56.100 -0.953 0.000 0.989 632 R CB -0.489 29.354 30.300 -0.763 0.000 0.869 632 R HN 0.637 nan 8.270 nan 0.000 0.459 633 S N 0.116 115.547 115.700 -0.449 0.000 2.522 633 S HA -0.061 4.411 4.470 0.004 0.000 0.227 633 S C 1.283 175.857 174.600 -0.043 0.000 0.986 633 S CA 0.367 58.461 58.200 -0.178 0.000 0.929 633 S CB -0.140 63.024 63.200 -0.061 0.000 0.769 633 S HN 0.535 nan 8.310 nan 0.000 0.529 634 F N -1.037 118.872 119.950 -0.067 0.000 2.856 634 F HA 0.661 5.190 4.527 0.004 0.000 0.338 634 F C 0.109 175.926 175.800 0.027 0.000 1.100 634 F CA -1.548 56.443 58.000 -0.014 0.000 1.150 634 F CB -0.131 38.869 39.000 -0.000 0.000 1.101 634 F HN 0.316 nan 8.300 nan 0.000 0.548 635 C N 2.118 121.329 119.300 -0.148 0.000 2.931 635 C HA 0.467 4.929 4.460 0.004 0.000 0.370 635 C C -0.706 174.312 174.990 0.046 0.000 1.071 635 C CA -0.936 58.104 59.018 0.037 0.000 1.266 635 C CB 1.035 28.852 27.740 0.128 0.000 1.691 635 C HN 0.403 nan 8.230 nan 0.000 0.511 636 K N 4.884 125.330 120.400 0.077 0.000 2.202 636 K HA 0.260 4.582 4.320 0.004 0.000 0.264 636 K C -1.740 174.977 176.600 0.194 0.000 1.010 636 K CA -1.016 55.322 56.287 0.086 0.000 0.940 636 K CB 0.980 33.515 32.500 0.058 0.000 0.983 636 K HN 0.413 nan 8.250 nan 0.000 0.475 637 P HA -0.230 nan 4.420 nan 0.000 0.216 637 P C 1.029 178.469 177.300 0.234 0.000 1.157 637 P CA 1.352 64.645 63.100 0.322 0.000 0.880 637 P CB 0.252 32.061 31.700 0.182 0.000 0.791 638 Q N -0.641 119.231 119.800 0.120 0.000 2.096 638 Q HA -0.225 4.117 4.340 0.004 0.000 0.204 638 Q C 2.150 178.204 176.000 0.091 0.000 0.982 638 Q CA 1.510 57.360 55.803 0.079 0.000 0.850 638 Q CB -0.739 28.040 28.738 0.068 0.000 0.901 638 Q HN 0.301 nan 8.270 nan 0.000 0.422 639 E N 0.940 121.199 120.200 0.099 0.000 2.107 639 E HA -0.069 4.284 4.350 0.004 0.000 0.191 639 E C 1.862 178.516 176.600 0.090 0.000 0.982 639 E CA 0.390 56.844 56.400 0.089 0.000 0.809 639 E CB -0.339 29.415 29.700 0.091 0.000 0.756 639 E HN 0.255 nan 8.360 nan 0.000 0.459 640 L N -0.026 121.247 121.223 0.084 0.000 2.017 640 L HA -0.140 4.202 4.340 0.004 0.000 0.208 640 L C 2.205 179.122 176.870 0.079 0.000 1.073 640 L CA 1.301 56.136 54.840 -0.009 0.000 0.745 640 L CB -0.337 41.514 42.059 -0.346 0.000 0.894 640 L HN 0.314 nan 8.230 nan 0.000 0.432 641 L N -0.481 120.880 121.223 0.230 0.000 2.046 641 L HA -0.177 4.165 4.340 0.004 0.000 0.208 641 L C 2.576 179.444 176.870 -0.002 0.000 1.077 641 L CA 1.898 56.848 54.840 0.183 0.000 0.747 641 L CB -0.623 41.502 42.059 0.109 0.000 0.896 641 L HN 0.136 nan 8.230 nan 0.000 0.432 642 S N -0.423 115.287 115.700 0.016 0.000 2.370 642 S HA -0.169 4.303 4.470 0.004 0.000 0.226 642 S C 1.940 176.556 174.600 0.025 0.000 1.033 642 S CA 1.735 59.935 58.200 0.001 0.000 1.011 642 S CB -0.467 62.754 63.200 0.036 0.000 0.852 642 S HN 0.455 nan 8.310 nan 0.000 0.457 643 L N 1.468 122.732 121.223 0.068 0.000 2.093 643 L HA -0.061 4.281 4.340 0.004 0.000 0.208 643 L C 2.353 179.254 176.870 0.052 0.000 1.085 643 L CA 1.117 56.046 54.840 0.148 0.000 0.755 643 L CB -0.664 41.505 42.059 0.185 0.000 0.904 643 L HN 0.437 nan 8.230 nan 0.000 0.435 644 I N -2.863 117.674 120.570 -0.056 0.000 2.617 644 I HA -0.173 3.999 4.170 0.004 0.000 0.256 644 I C 2.278 178.297 176.117 -0.162 0.000 1.167 644 I CA 1.209 62.426 61.300 -0.138 0.000 1.469 644 I CB -0.274 37.665 38.000 -0.102 0.000 1.098 644 I HN 0.104 nan 8.210 nan 0.000 0.436 645 I N 1.821 122.233 120.570 -0.264 0.000 2.252 645 I HA -0.202 3.970 4.170 0.004 0.000 0.245 645 I C 2.567 178.692 176.117 0.013 0.000 1.102 645 I CA 1.478 62.543 61.300 -0.392 0.000 1.385 645 I CB -0.318 37.371 38.000 -0.519 0.000 1.064 645 I HN 0.254 nan 8.210 nan 0.000 0.414 646 E N 0.481 120.733 120.200 0.088 0.000 2.110 646 E HA -0.280 4.072 4.350 0.004 0.000 0.193 646 E C 2.180 178.976 176.600 0.326 0.000 0.988 646 E CA 1.059 57.610 56.400 0.252 0.000 0.804 646 E CB -0.136 29.756 29.700 0.320 0.000 0.745 646 E HN 0.289 nan 8.360 nan 0.000 0.458 647 R N 0.646 121.165 120.500 0.031 0.000 2.091 647 R HA -0.177 4.165 4.340 0.004 0.000 0.238 647 R C 1.992 178.360 176.300 0.112 0.000 1.136 647 R CA 1.321 57.228 56.100 -0.321 0.000 0.959 647 R CB -0.559 29.272 30.300 -0.782 0.000 0.856 647 R HN 0.180 nan 8.270 nan 0.000 0.437 648 F N 1.440 121.394 119.950 0.007 0.000 2.234 648 F HA 0.009 4.539 4.527 0.004 0.000 0.299 648 F C 0.296 176.174 175.800 0.129 0.000 1.087 648 F CA 1.101 59.150 58.000 0.082 0.000 1.340 648 F CB 0.122 39.243 39.000 0.201 0.000 1.031 648 F HN 0.070 nan 8.300 nan 0.000 0.500 649 E N 1.932 122.338 120.200 0.344 0.000 1.892 649 E HA 0.158 4.510 4.350 0.004 0.000 0.271 649 E C -0.532 176.143 176.600 0.125 0.000 1.146 649 E CA -0.184 56.362 56.400 0.243 0.000 1.096 649 E CB -0.163 29.717 29.700 0.300 0.000 1.155 649 E HN 0.348 nan 8.360 nan 0.000 0.458 650 I N 4.354 124.868 120.570 -0.093 0.000 2.352 650 I HA 0.152 4.324 4.170 0.004 0.000 0.290 650 I C -1.670 174.357 176.117 -0.149 0.000 1.036 650 I CA -2.094 59.015 61.300 -0.319 0.000 1.336 650 I CB 0.546 38.356 38.000 -0.317 0.000 1.407 650 I HN 0.159 nan 8.210 nan 0.000 0.497 651 P HA 0.131 nan 4.420 nan 0.000 0.276 651 P C -0.917 176.356 177.300 -0.045 0.000 1.235 651 P CA -0.408 62.658 63.100 -0.058 0.000 0.772 651 P CB 0.598 32.270 31.700 -0.047 0.000 0.871 652 E N 5.138 125.329 120.200 -0.014 0.000 2.349 652 E HA 0.375 4.727 4.350 0.004 0.000 0.265 652 E C -1.910 174.603 176.600 -0.144 0.000 1.064 652 E CA -2.206 54.186 56.400 -0.013 0.000 0.886 652 E CB -0.303 29.429 29.700 0.054 0.000 1.036 652 E HN 0.382 nan 8.360 nan 0.000 0.413 653 P HA 0.000 nan 4.420 nan 0.000 0.270 653 P C -0.413 176.789 177.300 -0.163 0.000 1.223 653 P CA 0.017 62.938 63.100 -0.298 0.000 0.785 653 P CB 0.676 32.100 31.700 -0.459 0.000 0.923 654 E N 1.270 121.386 120.200 -0.139 0.000 2.349 654 E HA 0.277 4.629 4.350 0.004 0.000 0.262 654 E C -1.915 174.635 176.600 -0.083 0.000 1.088 654 E CA -1.643 54.703 56.400 -0.090 0.000 0.899 654 E CB -0.672 28.982 29.700 -0.077 0.000 1.044 654 E HN 0.377 nan 8.360 nan 0.000 0.420 655 P HA -0.042 nan 4.420 nan 0.000 0.265 655 P C -0.035 177.234 177.300 -0.051 0.000 1.187 655 P CA 0.303 63.374 63.100 -0.048 0.000 0.766 655 P CB 0.307 31.986 31.700 -0.034 0.000 0.820 656 T N -1.229 113.296 114.554 -0.048 0.000 2.788 656 T HA 0.127 4.479 4.350 0.004 0.000 0.280 656 T C 1.255 175.934 174.700 -0.035 0.000 0.984 656 T CA -0.312 61.760 62.100 -0.046 0.000 0.972 656 T CB 0.660 69.502 68.868 -0.044 0.000 1.039 656 T HN 0.279 nan 8.240 nan 0.000 0.530 657 E N 0.686 120.867 120.200 -0.032 0.000 2.085 657 E HA -0.104 4.249 4.350 0.004 0.000 0.194 657 E C 2.302 178.890 176.600 -0.021 0.000 0.994 657 E CA 1.937 58.322 56.400 -0.025 0.000 0.801 657 E CB -1.009 28.677 29.700 -0.023 0.000 0.743 657 E HN 0.784 nan 8.360 nan 0.000 0.453 658 A N 0.697 123.505 122.820 -0.020 0.000 1.933 658 A HA -0.204 4.118 4.320 0.004 0.000 0.218 658 A C 1.838 179.412 177.584 -0.015 0.000 1.175 658 A CA 1.908 53.935 52.037 -0.016 0.000 0.628 658 A CB -0.601 18.390 19.000 -0.014 0.000 0.814 658 A HN 0.275 nan 8.150 nan 0.000 0.444 659 D N -0.400 119.989 120.400 -0.018 0.000 2.117 659 D HA -0.105 4.537 4.640 0.004 0.000 0.198 659 D C 2.183 178.473 176.300 -0.016 0.000 0.982 659 D CA 1.097 55.087 54.000 -0.017 0.000 0.828 659 D CB -0.395 40.393 40.800 -0.021 0.000 0.967 659 D HN 0.453 nan 8.370 nan 0.000 0.464 660 R N 0.407 120.896 120.500 -0.019 0.000 2.091 660 R HA -0.109 4.233 4.340 0.004 0.000 0.238 660 R C 2.338 178.630 176.300 -0.014 0.000 1.136 660 R CA 0.766 56.855 56.100 -0.017 0.000 0.959 660 R CB -0.209 30.080 30.300 -0.019 0.000 0.856 660 R HN 0.195 nan 8.270 nan 0.000 0.437 661 I N 0.915 121.477 120.570 -0.013 0.000 2.127 661 I HA -0.254 3.918 4.170 0.004 0.000 0.241 661 I C 2.580 178.691 176.117 -0.009 0.000 1.075 661 I CA 1.583 62.876 61.300 -0.011 0.000 1.334 661 I CB -1.559 36.435 38.000 -0.010 0.000 1.040 661 I HN 0.170 nan 8.210 nan 0.000 0.405 662 A N 1.212 124.027 122.820 -0.009 0.000 1.858 662 A HA -0.181 4.141 4.320 0.004 0.000 0.216 662 A C 2.403 179.982 177.584 -0.008 0.000 1.190 662 A CA 1.611 53.643 52.037 -0.008 0.000 0.617 662 A CB -0.917 18.078 19.000 -0.008 0.000 0.827 662 A HN 0.386 nan 8.150 nan 0.000 0.443 663 I N -0.434 120.130 120.570 -0.009 0.000 2.208 663 I HA -0.282 3.891 4.170 0.004 0.000 0.245 663 I C 2.333 178.445 176.117 -0.008 0.000 1.097 663 I CA 1.763 63.058 61.300 -0.008 0.000 1.363 663 I CB -0.444 37.550 38.000 -0.010 0.000 1.051 663 I HN 0.426 nan 8.210 nan 0.000 0.413 664 E N 0.459 120.654 120.200 -0.008 0.000 2.418 664 E HA -0.119 4.233 4.350 0.004 0.000 0.197 664 E C 1.235 177.831 176.600 -0.006 0.000 1.026 664 E CA 0.419 56.814 56.400 -0.008 0.000 0.862 664 E CB 0.015 29.710 29.700 -0.008 0.000 0.799 664 E HN 0.439 nan 8.360 nan 0.000 0.518 665 N N -0.527 118.170 118.700 -0.006 0.000 2.280 665 N HA 0.032 4.774 4.740 0.004 0.000 0.192 665 N C 0.788 176.295 175.510 -0.005 0.000 1.109 665 N CA 0.801 53.848 53.050 -0.005 0.000 0.855 665 N CB 1.436 39.919 38.487 -0.005 0.000 0.974 665 N HN 0.230 nan 8.380 nan 0.000 0.482 666 G N 0.767 109.564 108.800 -0.005 0.000 2.141 666 G HA2 -0.199 3.763 3.960 0.004 0.000 0.242 666 G HA3 -0.199 3.763 3.960 0.004 0.000 0.242 666 G C -0.406 174.491 174.900 -0.004 0.000 0.982 666 G CA -0.027 45.071 45.100 -0.004 0.000 0.662 666 G HN 0.263 nan 8.290 nan 0.000 0.527 667 D N -0.395 120.003 120.400 -0.004 0.000 2.440 667 D HA 0.548 5.190 4.640 0.004 0.000 0.258 667 D C 0.341 176.638 176.300 -0.004 0.000 1.092 667 D CA -0.398 53.600 54.000 -0.004 0.000 1.016 667 D CB 0.760 41.557 40.800 -0.004 0.000 1.141 667 D HN 0.086 nan 8.370 nan 0.000 0.552 668 Q N 0.668 120.466 119.800 -0.004 0.000 2.267 668 Q HA 0.352 4.694 4.340 0.004 0.000 0.255 668 Q C -2.338 173.660 176.000 -0.004 0.000 0.923 668 Q CA -1.312 54.489 55.803 -0.004 0.000 0.925 668 Q CB 1.024 29.760 28.738 -0.003 0.000 1.195 668 Q HN 0.055 nan 8.270 nan 0.000 0.417 669 P HA 0.113 nan 4.420 nan 0.000 0.277 669 P C 0.035 177.332 177.300 -0.005 0.000 1.240 669 P CA -0.210 62.886 63.100 -0.007 0.000 0.798 669 P CB 0.779 32.474 31.700 -0.009 0.000 0.979 670 L N 0.368 121.588 121.223 -0.005 0.000 2.156 670 L HA -0.095 4.247 4.340 0.004 0.000 0.208 670 L C 0.588 177.457 176.870 -0.002 0.000 1.095 670 L CA 0.682 55.520 54.840 -0.003 0.000 0.770 670 L CB -0.636 41.421 42.059 -0.003 0.000 0.914 670 L HN 0.436 nan 8.230 nan 0.000 0.439 671 S N -0.163 115.534 115.700 -0.005 0.000 3.631 671 S HA -0.265 4.207 4.470 0.004 0.000 0.366 671 S C 1.394 175.995 174.600 0.002 0.000 0.993 671 S CA 0.402 58.600 58.200 -0.004 0.000 1.167 671 S CB -1.236 61.963 63.200 -0.001 0.000 0.909 671 S HN 0.586 nan 8.310 nan 0.000 0.478 672 A N 1.016 123.836 122.820 0.000 0.000 1.883 672 A HA -0.167 4.155 4.320 0.004 0.000 0.217 672 A C 2.125 179.717 177.584 0.014 0.000 1.186 672 A CA 1.573 53.614 52.037 0.006 0.000 0.624 672 A CB -0.263 18.739 19.000 0.003 0.000 0.822 672 A HN 0.537 nan 8.150 nan 0.000 0.444 673 E N -0.607 119.596 120.200 0.005 0.000 2.107 673 E HA -0.114 4.238 4.350 0.004 0.000 0.191 673 E C 1.995 178.618 176.600 0.038 0.000 0.982 673 E CA 1.029 57.435 56.400 0.011 0.000 0.809 673 E CB -0.515 29.170 29.700 -0.025 0.000 0.756 673 E HN 0.539 nan 8.360 nan 0.000 0.459 674 L N 1.652 122.886 121.223 0.019 0.000 2.046 674 L HA -0.163 4.179 4.340 0.004 0.000 0.208 674 L C 1.912 178.838 176.870 0.095 0.000 1.077 674 L CA 1.894 56.763 54.840 0.049 0.000 0.747 674 L CB -0.240 41.827 42.059 0.014 0.000 0.896 674 L HN -0.083 nan 8.230 nan 0.000 0.432 675 K N -0.785 119.648 120.400 0.055 0.000 2.097 675 K HA -0.182 4.140 4.320 0.004 0.000 0.205 675 K C 2.319 178.949 176.600 0.051 0.000 1.050 675 K CA 1.446 57.759 56.287 0.044 0.000 0.938 675 K CB -0.250 32.265 32.500 0.025 0.000 0.718 675 K HN 0.336 nan 8.250 nan 0.000 0.442 676 R N 0.390 120.929 120.500 0.065 0.000 2.066 676 R HA -0.133 4.209 4.340 0.004 0.000 0.232 676 R C 2.167 178.523 176.300 0.093 0.000 1.131 676 R CA 1.253 57.392 56.100 0.065 0.000 0.955 676 R CB -0.297 30.042 30.300 0.064 0.000 0.851 676 R HN 0.125 nan 8.270 nan 0.000 0.432 677 F N 1.658 121.590 119.950 -0.030 0.000 2.161 677 F HA -0.141 4.388 4.527 0.004 0.000 0.300 677 F C 2.204 177.996 175.800 -0.013 0.000 1.089 677 F CA 1.617 59.595 58.000 -0.038 0.000 1.282 677 F CB -0.052 38.898 39.000 -0.082 0.000 1.010 677 F HN -0.045 nan 8.300 nan 0.000 0.485 678 R N 0.020 120.519 120.500 -0.003 0.000 2.075 678 R HA -0.109 4.233 4.340 0.004 0.000 0.232 678 R C 2.287 178.510 176.300 -0.129 0.000 1.126 678 R CA 1.482 57.523 56.100 -0.097 0.000 0.963 678 R CB -0.281 30.012 30.300 -0.011 0.000 0.858 678 R HN 0.240 nan 8.270 nan 0.000 0.435 679 K N 0.331 120.689 120.400 -0.071 0.000 2.103 679 K HA -0.105 4.217 4.320 0.004 0.000 0.204 679 K C 1.523 178.072 176.600 -0.084 0.000 1.052 679 K CA 1.189 57.439 56.287 -0.063 0.000 0.945 679 K CB 0.230 32.716 32.500 -0.024 0.000 0.722 679 K HN 0.191 nan 8.250 nan 0.000 0.443 680 E N -1.791 118.360 120.200 -0.082 0.000 2.431 680 E HA -0.038 4.314 4.350 0.004 0.000 0.200 680 E C 0.748 177.297 176.600 -0.084 0.000 0.995 680 E CA 0.255 56.623 56.400 -0.053 0.000 0.915 680 E CB 0.422 30.133 29.700 0.018 0.000 0.930 680 E HN 0.240 nan 8.360 nan 0.000 0.496 681 Y N -0.330 119.705 120.300 -0.441 0.000 2.817 681 Y HA 0.202 4.754 4.550 0.004 0.000 0.257 681 Y C 1.684 177.216 175.900 -0.615 0.000 1.055 681 Y CA 0.118 57.826 58.100 -0.653 0.000 1.319 681 Y CB 0.222 38.023 38.460 -1.099 0.000 1.481 681 Y HN -0.159 nan 8.280 nan 0.000 0.471 682 I N 0.602 120.850 120.570 -0.537 0.000 2.142 682 I HA -0.345 3.827 4.170 0.004 0.000 0.240 682 I C 2.211 178.106 176.117 -0.370 0.000 1.078 682 I CA 1.934 62.976 61.300 -0.431 0.000 1.343 682 I CB -0.505 37.296 38.000 -0.331 0.000 1.046 682 I HN 0.351 nan 8.210 nan 0.000 0.405 683 Q N 0.592 120.224 119.800 -0.279 0.000 2.030 683 Q HA -0.178 4.164 4.340 0.004 0.000 0.204 683 Q C -0.586 175.275 176.000 -0.232 0.000 0.986 683 Q CA 2.399 58.076 55.803 -0.209 0.000 0.843 683 Q CB -0.807 27.850 28.738 -0.134 0.000 0.904 683 Q HN 0.396 nan 8.270 nan 0.000 0.420 684 P HA -0.110 nan 4.420 nan 0.000 0.217 684 P C 1.216 178.338 177.300 -0.296 0.000 1.151 684 P CA 1.096 64.046 63.100 -0.250 0.000 0.828 684 P CB 0.013 31.576 31.700 -0.228 0.000 0.788 685 V N 0.760 120.430 119.914 -0.405 0.000 2.295 685 V HA -0.243 3.879 4.120 0.004 0.000 0.246 685 V C 2.827 178.759 176.094 -0.270 0.000 1.049 685 V CA 1.904 63.960 62.300 -0.406 0.000 1.024 685 V CB -1.351 30.111 31.823 -0.601 0.000 0.648 685 V HN 0.143 nan 8.190 nan 0.000 0.447 686 Q N -0.684 118.940 119.800 -0.294 0.000 2.119 686 Q HA -0.104 4.238 4.340 0.004 0.000 0.201 686 Q C 2.336 178.338 176.000 0.003 0.000 0.972 686 Q CA 1.289 56.978 55.803 -0.191 0.000 0.847 686 Q CB -0.170 28.263 28.738 -0.510 0.000 0.903 686 Q HN 0.539 nan 8.270 nan 0.000 0.433 687 L N 0.121 121.258 121.223 -0.145 0.000 2.083 687 L HA -0.182 4.160 4.340 0.004 0.000 0.209 687 L C 2.455 179.210 176.870 -0.190 0.000 1.083 687 L CA 1.177 55.873 54.840 -0.239 0.000 0.752 687 L CB -0.228 41.624 42.059 -0.344 0.000 0.899 687 L HN 0.163 nan 8.230 nan 0.000 0.433 688 R N -0.975 119.428 120.500 -0.161 0.000 2.115 688 R HA -0.103 4.239 4.340 0.004 0.000 0.230 688 R C 2.206 178.468 176.300 -0.062 0.000 1.111 688 R CA 0.787 56.809 56.100 -0.130 0.000 0.976 688 R CB -0.199 30.000 30.300 -0.168 0.000 0.870 688 R HN 0.161 nan 8.270 nan 0.000 0.445 689 V N 1.220 121.132 119.914 -0.003 0.000 2.307 689 V HA -0.217 3.905 4.120 0.004 0.000 0.245 689 V C 2.175 178.351 176.094 0.137 0.000 1.045 689 V CA 1.592 63.943 62.300 0.084 0.000 1.024 689 V CB -0.292 31.683 31.823 0.254 0.000 0.651 689 V HN 0.312 nan 8.190 nan 0.000 0.449 690 L N 0.202 121.507 121.223 0.137 0.000 2.131 690 L HA -0.179 4.163 4.340 0.004 0.000 0.210 690 L C 2.388 179.308 176.870 0.083 0.000 1.092 690 L CA 1.753 56.655 54.840 0.103 0.000 0.759 690 L CB -0.742 41.344 42.059 0.045 0.000 0.903 690 L HN 0.427 nan 8.230 nan 0.000 0.435 691 N N 0.056 118.775 118.700 0.033 0.000 2.142 691 N HA -0.146 4.596 4.740 0.004 0.000 0.186 691 N C 1.743 177.392 175.510 0.232 0.000 1.023 691 N CA 1.082 54.195 53.050 0.105 0.000 0.852 691 N CB -0.065 38.438 38.487 0.027 0.000 0.998 691 N HN -0.004 nan 8.380 nan 0.000 0.424 692 V N -0.063 119.940 119.914 0.148 0.000 2.343 692 V HA -0.303 3.819 4.120 0.004 0.000 0.247 692 V C 2.482 178.775 176.094 0.332 0.000 1.051 692 V CA 1.564 63.970 62.300 0.176 0.000 1.036 692 V CB -0.684 31.166 31.823 0.045 0.000 0.654 692 V HN 0.508 nan 8.190 nan 0.000 0.451 693 C N -0.541 118.948 119.300 0.315 0.000 2.413 693 C HA -0.177 4.285 4.460 0.004 0.000 0.276 693 C C 2.920 178.080 174.990 0.283 0.000 1.248 693 C CA 1.540 60.774 59.018 0.360 0.000 1.742 693 C CB -1.165 26.725 27.740 0.251 0.000 2.017 693 C HN 0.566 nan 8.230 nan 0.000 0.481 694 R N -0.176 120.446 120.500 0.203 0.000 2.073 694 R HA -0.133 4.209 4.340 0.004 0.000 0.234 694 R C 2.287 178.632 176.300 0.074 0.000 1.134 694 R CA 1.538 57.694 56.100 0.094 0.000 0.952 694 R CB -0.516 29.819 30.300 0.057 0.000 0.850 694 R HN 0.658 nan 8.270 nan 0.000 0.433 695 H N -1.363 117.815 119.070 0.180 0.000 2.389 695 H HA -0.189 4.369 4.556 0.004 0.000 0.299 695 H C 1.769 177.356 175.328 0.432 0.000 1.081 695 H CA 1.480 57.664 56.048 0.227 0.000 1.345 695 H CB -0.225 29.701 29.762 0.273 0.000 1.393 695 H HN 0.415 nan 8.280 nan 0.000 0.520 696 W N 1.927 123.447 121.300 0.366 0.000 2.354 696 W HA -0.178 4.485 4.660 0.003 0.000 0.315 696 W C 2.217 179.034 176.519 0.496 0.000 1.206 696 W CA 1.064 58.667 57.345 0.431 0.000 1.290 696 W CB -0.774 28.903 29.460 0.362 0.000 1.152 696 W HN -0.126 nan 8.180 nan 0.000 0.489 697 V N 0.322 120.508 119.914 0.454 0.000 2.427 697 V HA -0.243 3.879 4.120 0.004 0.000 0.248 697 V C 2.229 178.439 176.094 0.193 0.000 1.051 697 V CA 2.270 64.689 62.300 0.199 0.000 1.048 697 V CB -0.710 31.032 31.823 -0.135 0.000 0.666 697 V HN 0.123 nan 8.190 nan 0.000 0.456 698 E N -0.789 119.430 120.200 0.031 0.000 2.072 698 E HA -0.147 4.206 4.350 0.004 0.000 0.190 698 E C 1.717 178.248 176.600 -0.115 0.000 0.982 698 E CA 1.185 57.466 56.400 -0.199 0.000 0.803 698 E CB 0.048 29.431 29.700 -0.529 0.000 0.755 698 E HN 0.795 nan 8.360 nan 0.000 0.453 699 H N -2.652 116.530 119.070 0.187 0.000 2.893 699 H HA 0.217 4.775 4.556 0.004 0.000 0.270 699 H C -0.077 175.113 175.328 -0.231 0.000 1.095 699 H CA -0.097 55.945 56.048 -0.009 0.000 1.186 699 H CB 0.755 30.478 29.762 -0.064 0.000 1.562 699 H HN 0.096 nan 8.280 nan 0.000 0.536 700 H N -0.566 118.821 119.070 0.529 0.000 2.907 700 H HA -0.008 4.550 4.556 0.004 0.000 0.233 700 H C 0.293 175.890 175.328 0.447 0.000 1.285 700 H CA -0.196 56.144 56.048 0.487 0.000 0.981 700 H CB -0.016 30.011 29.762 0.442 0.000 2.255 700 H HN 0.275 nan 8.280 nan 0.000 0.601 701 F N 1.955 122.151 119.950 0.410 0.000 2.408 701 F HA -0.228 4.301 4.527 0.004 0.000 0.300 701 F C 2.112 178.114 175.800 0.338 0.000 1.090 701 F CA 0.932 59.182 58.000 0.417 0.000 1.427 701 F CB -0.145 39.003 39.000 0.247 0.000 1.070 701 F HN 0.291 nan 8.300 nan 0.000 0.549 702 Y N -1.180 119.247 120.300 0.211 0.000 2.333 702 Y HA -0.165 4.388 4.550 0.004 0.000 0.290 702 Y C 1.939 177.788 175.900 -0.086 0.000 1.144 702 Y CA 1.192 59.322 58.100 0.049 0.000 1.228 702 Y CB -1.360 37.152 38.460 0.088 0.000 0.985 702 Y HN -0.036 nan 8.280 nan 0.000 0.542 703 D N 0.782 120.817 120.400 -0.608 0.000 2.123 703 D HA -0.172 4.470 4.640 0.004 0.000 0.196 703 D C 1.707 177.636 176.300 -0.618 0.000 0.992 703 D CA 1.603 55.241 54.000 -0.603 0.000 0.833 703 D CB -0.469 39.953 40.800 -0.630 0.000 0.954 703 D HN 0.470 nan 8.370 nan 0.000 0.455 704 F N 1.305 120.962 119.950 -0.488 0.000 2.234 704 F HA 0.030 4.560 4.527 0.004 0.000 0.296 704 F C 2.419 177.903 175.800 -0.527 0.000 1.089 704 F CA 0.573 58.203 58.000 -0.617 0.000 1.343 704 F CB -0.433 37.967 39.000 -1.001 0.000 1.040 704 F HN -0.072 nan 8.300 nan 0.000 0.498 705 E N 0.231 120.199 120.200 -0.386 0.000 2.150 705 E HA -0.152 4.200 4.350 0.004 0.000 0.193 705 E C 2.042 178.617 176.600 -0.042 0.000 0.985 705 E CA 0.911 57.228 56.400 -0.139 0.000 0.814 705 E CB -0.184 29.523 29.700 0.011 0.000 0.752 705 E HN 0.437 nan 8.360 nan 0.000 0.466 706 R N 0.235 120.709 120.500 -0.044 0.000 2.276 706 R HA 0.046 4.388 4.340 0.004 0.000 0.196 706 R C 0.207 176.493 176.300 -0.023 0.000 0.961 706 R CA 0.399 56.496 56.100 -0.006 0.000 1.024 706 R CB 0.311 30.632 30.300 0.035 0.000 0.940 706 R HN -0.032 nan 8.270 nan 0.000 0.480 707 D N -0.503 119.860 120.400 -0.062 0.000 2.479 707 D HA 0.244 4.886 4.640 0.004 0.000 0.246 707 D C 0.039 176.334 176.300 -0.009 0.000 1.336 707 D CA -0.264 53.718 54.000 -0.031 0.000 0.967 707 D CB 1.669 42.432 40.800 -0.062 0.000 1.275 707 D HN -0.004 nan 8.370 nan 0.000 0.577 708 A N 3.552 126.397 122.820 0.042 0.000 1.968 708 A HA -0.173 4.149 4.320 0.004 0.000 0.217 708 A C 1.656 179.312 177.584 0.120 0.000 1.169 708 A CA 0.827 52.905 52.037 0.068 0.000 0.638 708 A CB -0.524 18.519 19.000 0.072 0.000 0.812 708 A HN 0.652 nan 8.150 nan 0.000 0.446 709 Y N 0.051 120.353 120.300 0.003 0.000 2.242 709 Y HA -0.093 4.459 4.550 0.004 0.000 0.291 709 Y C 1.885 177.794 175.900 0.014 0.000 1.137 709 Y CA 1.202 59.307 58.100 0.009 0.000 1.181 709 Y CB -0.458 38.006 38.460 0.006 0.000 0.989 709 Y HN 0.239 nan 8.280 nan 0.000 0.527 710 L N -0.334 120.821 121.223 -0.112 0.000 2.042 710 L HA -0.187 4.155 4.340 0.004 0.000 0.210 710 L C 2.294 179.129 176.870 -0.059 0.000 1.076 710 L CA 1.735 56.464 54.840 -0.185 0.000 0.749 710 L CB -1.050 40.889 42.059 -0.199 0.000 0.893 710 L HN 0.345 nan 8.230 nan 0.000 0.432 711 L N -0.703 120.565 121.223 0.076 0.000 2.046 711 L HA -0.226 4.116 4.340 0.004 0.000 0.208 711 L C 2.469 179.311 176.870 -0.046 0.000 1.077 711 L CA 1.758 56.638 54.840 0.068 0.000 0.747 711 L CB -0.698 41.393 42.059 0.054 0.000 0.896 711 L HN 0.420 nan 8.230 nan 0.000 0.432 712 Q N -0.884 118.896 119.800 -0.033 0.000 2.084 712 Q HA -0.209 4.133 4.340 0.004 0.000 0.202 712 Q C 2.331 178.280 176.000 -0.085 0.000 0.978 712 Q CA 1.792 57.584 55.803 -0.018 0.000 0.844 712 Q CB -0.169 28.625 28.738 0.094 0.000 0.898 712 Q HN 0.507 nan 8.270 nan 0.000 0.426 713 R N -0.146 120.212 120.500 -0.237 0.000 2.081 713 R HA -0.132 4.210 4.340 0.004 0.000 0.235 713 R C 2.239 178.495 176.300 -0.075 0.000 1.131 713 R CA 1.471 57.437 56.100 -0.224 0.000 0.960 713 R CB -0.273 29.786 30.300 -0.402 0.000 0.856 713 R HN 0.230 nan 8.270 nan 0.000 0.436 714 M N 1.521 121.072 119.600 -0.081 0.000 2.086 714 M HA -0.153 4.329 4.480 0.004 0.000 0.261 714 M C 1.511 177.799 176.300 -0.020 0.000 1.067 714 M CA 1.807 57.086 55.300 -0.036 0.000 1.116 714 M CB -0.087 32.404 32.600 -0.181 0.000 1.348 714 M HN 0.037 nan 8.290 nan 0.000 0.407 715 E N -0.510 119.649 120.200 -0.069 0.000 2.077 715 E HA -0.197 4.156 4.350 0.004 0.000 0.193 715 E C 1.989 178.566 176.600 -0.038 0.000 0.989 715 E CA 1.301 57.662 56.400 -0.065 0.000 0.800 715 E CB -0.216 29.450 29.700 -0.056 0.000 0.746 715 E HN 0.523 nan 8.360 nan 0.000 0.452 716 E N 0.416 120.613 120.200 -0.005 0.000 2.072 716 E HA -0.170 4.182 4.350 0.004 0.000 0.191 716 E C 1.882 178.503 176.600 0.034 0.000 0.985 716 E CA 0.680 57.090 56.400 0.016 0.000 0.801 716 E CB -0.350 29.374 29.700 0.040 0.000 0.750 716 E HN 0.220 nan 8.360 nan 0.000 0.452 717 F N 2.140 122.035 119.950 -0.092 0.000 2.046 717 F HA -0.202 4.327 4.527 0.004 0.000 0.297 717 F C 2.095 177.808 175.800 -0.145 0.000 1.123 717 F CA 1.146 59.076 58.000 -0.118 0.000 1.199 717 F CB -0.394 38.524 39.000 -0.136 0.000 0.972 717 F HN -0.107 nan 8.300 nan 0.000 0.474 718 I N 0.992 121.312 120.570 -0.417 0.000 2.423 718 I HA -0.225 3.947 4.170 0.004 0.000 0.254 718 I C 2.623 178.536 176.117 -0.339 0.000 1.151 718 I CA 1.572 62.572 61.300 -0.500 0.000 1.421 718 I CB -2.364 35.492 38.000 -0.241 0.000 1.079 718 I HN 0.384 nan 8.210 nan 0.000 0.431 719 G N 0.063 108.737 108.800 -0.209 0.000 2.712 719 G HA2 -0.131 3.831 3.960 0.004 0.000 0.212 719 G HA3 -0.131 3.831 3.960 0.004 0.000 0.212 719 G C 1.597 176.426 174.900 -0.118 0.000 1.142 719 G CA 0.979 45.999 45.100 -0.133 0.000 0.789 719 G HN 0.495 nan 8.290 nan 0.000 0.535 720 T N -1.859 112.603 114.554 -0.154 0.000 3.057 720 T HA 0.156 4.509 4.350 0.004 0.000 0.254 720 T C 0.957 175.592 174.700 -0.108 0.000 1.094 720 T CA -0.171 61.877 62.100 -0.086 0.000 1.088 720 T CB 0.044 68.902 68.868 -0.016 0.000 0.934 720 T HN -0.118 nan 8.240 nan 0.000 0.497 721 V N 3.219 122.988 119.914 -0.242 0.000 2.420 721 V HA 0.215 4.338 4.120 0.004 0.000 0.274 721 V C 0.620 176.691 176.094 -0.039 0.000 1.003 721 V CA 0.041 62.238 62.300 -0.172 0.000 1.092 721 V CB -0.924 30.697 31.823 -0.336 0.000 1.002 721 V HN 0.421 nan 8.190 nan 0.000 0.473 722 R N 2.821 123.341 120.500 0.033 0.000 2.607 722 R HA 0.801 5.144 4.340 0.004 0.000 0.261 722 R C 0.450 176.784 176.300 0.056 0.000 1.051 722 R CA 0.211 56.332 56.100 0.034 0.000 1.110 722 R CB 1.454 31.776 30.300 0.037 0.000 1.158 722 R HN 1.027 nan 8.270 nan 0.000 0.543 723 G N 0.978 109.800 108.800 0.037 0.000 2.885 723 G HA2 -0.129 3.833 3.960 0.004 0.000 0.685 723 G HA3 -0.129 3.833 3.960 0.004 0.000 0.685 723 G C 0.042 174.959 174.900 0.029 0.000 1.216 723 G CA -0.445 44.678 45.100 0.040 0.000 0.790 723 G HN 0.542 nan 8.290 nan 0.000 0.631 724 K N 0.911 121.321 120.400 0.017 0.000 2.288 724 K HA 0.188 4.510 4.320 0.004 0.000 0.201 724 K C 2.242 178.847 176.600 0.008 0.000 1.048 724 K CA 1.853 58.141 56.287 0.002 0.000 0.956 724 K CB -0.599 31.899 32.500 -0.004 0.000 0.746 724 K HN 1.230 nan 8.250 nan 0.000 0.461 725 A N 2.468 125.312 122.820 0.041 0.000 1.841 725 A HA -0.025 4.297 4.320 0.004 0.000 0.214 725 A C 2.305 179.973 177.584 0.140 0.000 1.195 725 A CA 1.585 53.670 52.037 0.079 0.000 0.611 725 A CB -0.381 18.673 19.000 0.091 0.000 0.835 725 A HN 0.196 nan 8.150 nan 0.000 0.443 726 M N -0.304 119.408 119.600 0.187 0.000 2.460 726 M HA -0.076 4.407 4.480 0.004 0.000 0.263 726 M C 1.842 178.237 176.300 0.159 0.000 1.071 726 M CA 1.218 56.713 55.300 0.324 0.000 1.096 726 M CB -1.120 31.640 32.600 0.267 0.000 1.408 726 M HN 0.526 nan 8.290 nan 0.000 0.463 727 K N 1.123 121.532 120.400 0.014 0.000 2.089 727 K HA -0.214 4.108 4.320 0.004 0.000 0.210 727 K C 1.920 178.411 176.600 -0.181 0.000 1.048 727 K CA 1.438 57.683 56.287 -0.069 0.000 0.926 727 K CB 0.150 32.606 32.500 -0.073 0.000 0.714 727 K HN 0.186 nan 8.250 nan 0.000 0.448 728 K N -0.142 120.028 120.400 -0.382 0.000 2.044 728 K HA -0.202 4.120 4.320 0.004 0.000 0.210 728 K C 2.001 178.259 176.600 -0.569 0.000 1.049 728 K CA 2.062 57.972 56.287 -0.629 0.000 0.927 728 K CB -0.659 31.170 32.500 -1.118 0.000 0.713 728 K HN 0.445 nan 8.250 nan 0.000 0.443 729 W N 0.949 122.234 121.300 -0.025 0.000 2.453 729 W HA -0.025 4.638 4.660 0.004 0.000 0.289 729 W C 2.208 178.692 176.519 -0.058 0.000 1.215 729 W CA -0.189 57.138 57.345 -0.029 0.000 1.297 729 W CB -0.942 28.514 29.460 -0.007 0.000 1.113 729 W HN -0.239 nan 8.180 nan 0.000 0.551 730 V N 1.490 121.458 119.914 0.090 0.000 2.261 730 V HA -0.296 3.826 4.120 0.004 0.000 0.246 730 V C 2.181 178.248 176.094 -0.046 0.000 1.047 730 V CA 2.278 64.570 62.300 -0.014 0.000 1.015 730 V CB -0.846 30.943 31.823 -0.058 0.000 0.642 730 V HN 0.209 nan 8.190 nan 0.000 0.446 731 E N -0.151 120.009 120.200 -0.066 0.000 2.085 731 E HA -0.240 4.112 4.350 0.004 0.000 0.194 731 E C 2.385 178.944 176.600 -0.067 0.000 0.994 731 E CA 1.615 57.970 56.400 -0.076 0.000 0.801 731 E CB -0.341 29.302 29.700 -0.096 0.000 0.743 731 E HN 0.525 nan 8.360 nan 0.000 0.453 732 S N 0.837 116.502 115.700 -0.057 0.000 2.348 732 S HA -0.139 4.333 4.470 0.004 0.000 0.221 732 S C 2.068 176.652 174.600 -0.026 0.000 1.033 732 S CA 0.893 59.072 58.200 -0.035 0.000 1.010 732 S CB -0.208 62.994 63.200 0.003 0.000 0.891 732 S HN 0.177 nan 8.310 nan 0.000 0.442 733 I N 1.040 121.608 120.570 -0.004 0.000 2.286 733 I HA -0.159 4.013 4.170 0.004 0.000 0.248 733 I C 2.557 178.630 176.117 -0.075 0.000 1.115 733 I CA 1.403 62.684 61.300 -0.032 0.000 1.392 733 I CB -0.782 37.210 38.000 -0.013 0.000 1.065 733 I HN 0.317 nan 8.210 nan 0.000 0.418 734 T N 0.781 115.291 114.554 -0.074 0.000 2.720 734 T HA -0.193 4.159 4.350 0.004 0.000 0.268 734 T C 1.904 176.553 174.700 -0.086 0.000 1.037 734 T CA 1.371 63.420 62.100 -0.085 0.000 1.144 734 T CB -0.142 68.680 68.868 -0.077 0.000 0.864 734 T HN 0.335 nan 8.240 nan 0.000 0.444 735 K N 0.469 120.823 120.400 -0.078 0.000 2.057 735 K HA 0.049 4.371 4.320 0.004 0.000 0.206 735 K C 2.255 178.796 176.600 -0.098 0.000 1.050 735 K CA 1.077 57.316 56.287 -0.079 0.000 0.935 735 K CB -0.322 32.137 32.500 -0.069 0.000 0.715 735 K HN 0.330 nan 8.250 nan 0.000 0.439 736 I N 1.193 121.700 120.570 -0.105 0.000 2.226 736 I HA -0.295 3.877 4.170 0.004 0.000 0.245 736 I C 2.283 178.285 176.117 -0.192 0.000 1.100 736 I CA 1.265 62.481 61.300 -0.139 0.000 1.374 736 I CB -0.276 37.645 38.000 -0.132 0.000 1.057 736 I HN 0.128 nan 8.210 nan 0.000 0.413 737 I N 0.199 120.664 120.570 -0.174 0.000 2.163 737 I HA -0.306 3.866 4.170 0.004 0.000 0.243 737 I C 2.663 178.677 176.117 -0.172 0.000 1.085 737 I CA 1.258 62.443 61.300 -0.192 0.000 1.347 737 I CB -0.440 37.468 38.000 -0.153 0.000 1.044 737 I HN 0.324 nan 8.210 nan 0.000 0.408 738 Q N 0.292 120.018 119.800 -0.124 0.000 2.084 738 Q HA -0.216 4.126 4.340 0.004 0.000 0.202 738 Q C 2.191 178.122 176.000 -0.115 0.000 0.978 738 Q CA 1.344 57.090 55.803 -0.094 0.000 0.844 738 Q CB -0.608 28.088 28.738 -0.070 0.000 0.898 738 Q HN 0.501 nan 8.270 nan 0.000 0.426 739 R N 0.861 121.279 120.500 -0.136 0.000 2.083 739 R HA -0.121 4.221 4.340 0.004 0.000 0.237 739 R C 1.885 178.066 176.300 -0.197 0.000 1.137 739 R CA 1.124 57.142 56.100 -0.137 0.000 0.951 739 R CB 0.110 30.333 30.300 -0.128 0.000 0.851 739 R HN -0.027 nan 8.270 nan 0.000 0.434 740 K N 0.805 121.005 120.400 -0.333 0.000 2.280 740 K HA -0.129 4.193 4.320 0.004 0.000 0.202 740 K C 1.895 178.220 176.600 -0.460 0.000 1.047 740 K CA 1.298 57.235 56.287 -0.585 0.000 0.942 740 K CB 0.027 31.797 32.500 -1.217 0.000 0.739 740 K HN 0.307 nan 8.250 nan 0.000 0.457 741 K N 0.561 120.825 120.400 -0.225 0.000 2.137 741 K HA 0.041 4.363 4.320 0.004 0.000 0.202 741 K C 2.009 178.605 176.600 -0.006 0.000 1.052 741 K CA 0.757 57.033 56.287 -0.017 0.000 0.961 741 K CB -0.004 32.517 32.500 0.036 0.000 0.741 741 K HN 0.216 nan 8.250 nan 0.000 0.452 742 I N -2.695 117.851 120.570 -0.041 0.000 3.564 742 I HA 0.225 4.398 4.170 0.004 0.000 0.294 742 I C 0.431 176.536 176.117 -0.020 0.000 1.289 742 I CA -0.232 61.055 61.300 -0.021 0.000 1.325 742 I CB 0.184 38.168 38.000 -0.028 0.000 1.039 742 I HN -0.080 nan 8.210 nan 0.000 0.474 751 N N 2.741 121.365 118.700 -0.128 0.000 2.453 751 N HA 0.300 5.042 4.740 0.004 0.000 0.253 751 N C -0.347 174.998 175.510 -0.274 0.000 1.252 751 N CA -0.085 52.878 53.050 -0.145 0.000 0.917 751 N CB 1.064 39.496 38.487 -0.090 0.000 1.117 751 N HN 0.240 nan 8.380 nan 0.000 0.442 752 I N 0.683 121.112 120.570 -0.235 0.000 2.499 752 I HA 0.291 4.464 4.170 0.004 0.000 0.288 752 I C -0.370 175.518 176.117 -0.381 0.000 1.048 752 I CA -0.461 60.617 61.300 -0.370 0.000 1.062 752 I CB 1.356 39.118 38.000 -0.396 0.000 1.238 752 I HN 0.461 nan 8.210 nan 0.000 0.426 753 T N 5.869 120.160 114.554 -0.438 0.000 2.855 753 T HA 0.702 5.054 4.350 0.004 0.000 0.281 753 T C -0.587 173.844 174.700 -0.449 0.000 1.007 753 T CA -0.339 61.582 62.100 -0.299 0.000 1.009 753 T CB 1.374 70.146 68.868 -0.160 0.000 0.983 753 T HN 0.116 nan 8.240 nan 0.000 0.455 754 F N 1.149 121.096 119.950 -0.005 0.000 2.561 754 F HA 0.402 4.931 4.527 0.004 0.000 0.321 754 F C 1.610 177.411 175.800 0.001 0.000 1.065 754 F CA -0.977 57.023 58.000 -0.000 0.000 0.934 754 F CB 1.804 40.808 39.000 0.007 0.000 1.215 754 F HN 0.412 nan 8.300 nan 0.000 0.471 755 Q N 0.244 120.198 119.800 0.257 0.000 2.050 755 Q HA -0.081 4.261 4.340 0.004 0.000 0.202 755 Q C 0.885 176.950 176.000 0.108 0.000 0.980 755 Q CA 1.262 57.145 55.803 0.134 0.000 0.840 755 Q CB -0.022 28.781 28.738 0.108 0.000 0.898 755 Q HN 0.600 nan 8.270 nan 0.000 0.424 756 S N -1.244 114.520 115.700 0.107 0.000 2.823 756 S HA 0.407 4.880 4.470 0.004 0.000 0.316 756 S C -0.789 173.836 174.600 0.041 0.000 1.116 756 S CA -0.609 57.622 58.200 0.051 0.000 0.911 756 S CB 1.783 64.990 63.200 0.012 0.000 1.276 756 S HN 0.122 nan 8.310 nan 0.000 0.565 757 S N 1.822 117.525 115.700 0.005 0.000 2.525 757 S HA 0.655 5.127 4.470 0.004 0.000 0.290 757 S C -2.598 171.964 174.600 -0.063 0.000 1.152 757 S CA -1.639 56.557 58.200 -0.007 0.000 1.072 757 S CB 0.758 63.964 63.200 0.009 0.000 1.027 757 S HN 0.602 nan 8.310 nan 0.000 0.500 758 P HA 0.260 nan 4.420 nan 0.000 0.269 758 P C -2.540 174.717 177.300 -0.072 0.000 1.209 758 P CA -1.024 62.004 63.100 -0.120 0.000 0.776 758 P CB -0.482 31.145 31.700 -0.121 0.000 0.876 759 P HA 0.060 nan 4.420 nan 0.000 0.272 759 P C -0.184 177.080 177.300 -0.061 0.000 1.240 759 P CA 0.003 63.064 63.100 -0.065 0.000 0.791 759 P CB 0.151 31.806 31.700 -0.076 0.000 0.978 760 T N 0.628 115.151 114.554 -0.051 0.000 2.916 760 T HA 0.117 4.469 4.350 0.004 0.000 0.303 760 T C 0.471 175.122 174.700 -0.081 0.000 1.025 760 T CA -0.262 61.816 62.100 -0.037 0.000 1.142 760 T CB 0.137 68.997 68.868 -0.015 0.000 0.947 760 T HN 0.107 nan 8.240 nan 0.000 0.544 761 V N 4.413 124.286 119.914 -0.067 0.000 2.655 761 V HA 0.060 4.182 4.120 0.004 0.000 0.300 761 V C 0.795 176.723 176.094 -0.275 0.000 1.044 761 V CA 0.160 62.347 62.300 -0.187 0.000 1.095 761 V CB 0.345 32.087 31.823 -0.135 0.000 0.952 761 V HN 0.781 nan 8.190 nan 0.000 0.485 762 E N 3.589 123.511 120.200 -0.463 0.000 2.191 762 E HA 0.356 4.708 4.350 0.004 0.000 0.278 762 E C -1.263 175.016 176.600 -0.534 0.000 0.972 762 E CA -0.302 55.822 56.400 -0.459 0.000 0.804 762 E CB 1.797 31.049 29.700 -0.747 0.000 1.110 762 E HN 0.629 nan 8.360 nan 0.000 0.394 763 W N 0.348 121.658 121.300 0.017 0.000 2.761 763 W HA 0.238 4.900 4.660 0.003 0.000 0.340 763 W C 0.627 177.283 176.519 0.228 0.000 1.072 763 W CA -0.398 57.003 57.345 0.092 0.000 1.215 763 W CB 1.158 30.645 29.460 0.046 0.000 1.420 763 W HN 0.677 nan 8.180 nan 0.000 0.519 764 H N 0.372 119.617 119.070 0.292 0.000 5.104 764 H HA 0.416 4.974 4.556 0.004 0.000 0.167 764 H C 1.342 176.712 175.328 0.070 0.000 1.341 764 H CA 0.493 56.612 56.048 0.118 0.000 0.513 764 H CB -0.170 29.562 29.762 -0.051 0.000 1.576 764 H HN 0.376 nan 8.280 nan 0.000 0.320 765 I N 0.149 120.422 120.570 -0.494 0.000 2.193 765 I HA -0.079 4.093 4.170 0.004 0.000 0.240 765 I C 0.567 176.596 176.117 -0.145 0.000 1.084 765 I CA 0.750 61.795 61.300 -0.424 0.000 1.365 765 I CB -0.295 37.332 38.000 -0.621 0.000 1.064 765 I HN 0.129 nan 8.210 nan 0.000 0.410 766 S N 2.204 117.874 115.700 -0.049 0.000 2.549 766 S HA 0.185 4.658 4.470 0.004 0.000 0.283 766 S C 0.143 174.860 174.600 0.194 0.000 1.320 766 S CA -0.389 57.883 58.200 0.120 0.000 1.058 766 S CB 0.360 63.688 63.200 0.212 0.000 0.882 766 S HN 0.136 nan 8.310 nan 0.000 0.498 767 R N 2.098 122.665 120.500 0.112 0.000 2.758 767 R HA 0.495 4.837 4.340 0.004 0.000 0.265 767 R C -2.878 173.204 176.300 -0.363 0.000 1.016 767 R CA -2.861 53.156 56.100 -0.138 0.000 1.040 767 R CB -0.729 29.538 30.300 -0.054 0.000 1.152 767 R HN 0.289 nan 8.270 nan 0.000 0.503 768 P HA 0.033 nan 4.420 nan 0.000 0.262 768 P C 0.620 177.702 177.300 -0.362 0.000 1.182 768 P CA 1.177 63.757 63.100 -0.867 0.000 0.761 768 P CB 0.347 31.576 31.700 -0.785 0.000 0.795 769 G N 2.528 111.197 108.800 -0.219 0.000 2.241 769 G HA2 -0.235 3.727 3.960 0.004 0.000 0.244 769 G HA3 -0.235 3.727 3.960 0.004 0.000 0.244 769 G C 0.433 175.041 174.900 -0.486 0.000 0.998 769 G CA -0.304 44.597 45.100 -0.332 0.000 0.621 769 G HN 0.681 nan 8.290 nan 0.000 0.519 770 H N 1.208 120.202 119.070 -0.127 0.000 2.595 770 H HA 0.318 4.877 4.556 0.003 0.000 0.264 770 H C 2.283 177.358 175.328 -0.422 0.000 1.503 770 H CA 0.263 56.214 56.048 -0.161 0.000 1.142 770 H CB -0.587 29.145 29.762 -0.051 0.000 1.554 770 H HN 0.681 nan 8.280 nan 0.000 0.501 771 I N -1.326 118.788 120.570 -0.761 0.000 2.502 771 I HA -0.270 3.902 4.170 0.004 0.000 0.258 771 I C 1.148 176.864 176.117 -0.669 0.000 1.172 771 I CA 1.377 61.842 61.300 -1.392 0.000 1.430 771 I CB 0.024 37.554 38.000 -0.784 0.000 1.086 771 I HN 0.053 nan 8.210 nan 0.000 0.440 772 E N 1.753 121.785 120.200 -0.280 0.000 2.204 772 E HA -0.150 4.202 4.350 0.004 0.000 0.194 772 E C 2.153 178.748 176.600 -0.008 0.000 0.989 772 E CA 1.709 58.057 56.400 -0.087 0.000 0.824 772 E CB -0.816 28.870 29.700 -0.024 0.000 0.756 772 E HN 0.765 nan 8.360 nan 0.000 0.477 773 T N -1.709 112.855 114.554 0.017 0.000 3.067 773 T HA 0.051 4.403 4.350 0.004 0.000 0.257 773 T C 0.379 175.186 174.700 0.177 0.000 1.105 773 T CA -0.394 61.769 62.100 0.106 0.000 1.104 773 T CB -0.323 68.607 68.868 0.103 0.000 0.925 773 T HN -0.126 nan 8.240 nan 0.000 0.498 774 F N 2.961 122.810 119.950 -0.169 0.000 2.623 774 F HA 0.484 5.013 4.527 0.003 0.000 0.383 774 F C 0.853 176.362 175.800 -0.485 0.000 1.077 774 F CA -0.553 57.182 58.000 -0.441 0.000 1.268 774 F CB -0.277 38.224 39.000 -0.831 0.000 1.053 774 F HN 0.274 nan 8.300 nan 0.000 0.571 775 D N 1.021 121.310 120.400 -0.185 0.000 2.725 775 D HA 0.098 4.740 4.640 0.004 0.000 0.292 775 D C 0.508 176.944 176.300 0.226 0.000 1.288 775 D CA -0.643 53.434 54.000 0.127 0.000 0.784 775 D CB 0.897 41.835 40.800 0.230 0.000 1.308 775 D HN 0.284 nan 8.370 nan 0.000 0.429 776 L N 1.092 122.595 121.223 0.465 0.000 2.043 776 L HA -0.019 4.323 4.340 0.004 0.000 0.212 776 L C 1.617 178.584 176.870 0.161 0.000 1.075 776 L CA 1.981 57.063 54.840 0.403 0.000 0.752 776 L CB -0.384 41.768 42.059 0.155 0.000 0.891 776 L HN 0.529 nan 8.230 nan 0.000 0.432 777 L N -1.596 119.659 121.223 0.054 0.000 2.529 777 L HA 0.051 4.393 4.340 0.004 0.000 0.223 777 L C 2.061 178.892 176.870 -0.064 0.000 1.113 777 L CA 0.831 55.661 54.840 -0.017 0.000 0.861 777 L CB -0.660 41.365 42.059 -0.057 0.000 1.012 777 L HN 0.419 nan 8.230 nan 0.000 0.461 778 T N -2.793 111.666 114.554 -0.159 0.000 3.044 778 T HA 0.178 4.530 4.350 0.004 0.000 0.255 778 T C 0.855 175.510 174.700 -0.075 0.000 1.073 778 T CA -0.005 61.937 62.100 -0.263 0.000 1.125 778 T CB -0.016 68.637 68.868 -0.358 0.000 0.908 778 T HN -0.003 nan 8.240 nan 0.000 0.480 779 L N 1.751 122.934 121.223 -0.067 0.000 2.439 779 L HA 0.330 4.672 4.340 0.004 0.000 0.261 779 L C 0.775 177.655 176.870 0.016 0.000 1.153 779 L CA -1.056 53.727 54.840 -0.095 0.000 0.808 779 L CB 0.509 42.441 42.059 -0.211 0.000 1.126 779 L HN 0.319 nan 8.230 nan 0.000 0.460 780 H N 4.314 123.334 119.070 -0.084 0.000 2.848 780 H HA 0.067 4.625 4.556 0.004 0.000 0.317 780 H C -1.730 173.505 175.328 -0.155 0.000 1.046 780 H CA -1.733 54.235 56.048 -0.133 0.000 1.470 780 H CB 1.559 31.224 29.762 -0.162 0.000 1.483 780 H HN 0.330 nan 8.280 nan 0.000 0.548 781 P HA -0.167 nan 4.420 nan 0.000 0.218 781 P C 1.720 179.015 177.300 -0.009 0.000 1.148 781 P CA 1.128 64.196 63.100 -0.054 0.000 0.822 781 P CB 0.448 32.058 31.700 -0.149 0.000 0.784 782 I N -0.227 120.446 120.570 0.172 0.000 2.252 782 I HA -0.201 3.972 4.170 0.004 0.000 0.245 782 I C 2.614 178.652 176.117 -0.130 0.000 1.102 782 I CA 1.522 62.801 61.300 -0.035 0.000 1.385 782 I CB -0.607 37.301 38.000 -0.153 0.000 1.064 782 I HN -0.046 nan 8.210 nan 0.000 0.414 783 E N 1.188 121.300 120.200 -0.147 0.000 2.208 783 E HA -0.106 4.247 4.350 0.004 0.000 0.193 783 E C 2.041 178.557 176.600 -0.141 0.000 0.988 783 E CA 0.928 57.197 56.400 -0.218 0.000 0.828 783 E CB -0.133 29.344 29.700 -0.372 0.000 0.763 783 E HN 0.421 nan 8.360 nan 0.000 0.478 784 I N -0.043 120.479 120.570 -0.079 0.000 2.179 784 I HA -0.279 3.893 4.170 0.004 0.000 0.242 784 I C 2.246 178.248 176.117 -0.190 0.000 1.088 784 I CA 1.125 62.400 61.300 -0.043 0.000 1.357 784 I CB -0.337 37.711 38.000 0.080 0.000 1.051 784 I HN 0.146 nan 8.210 nan 0.000 0.409 785 A N 0.731 123.400 122.820 -0.252 0.000 1.902 785 A HA -0.199 4.123 4.320 0.004 0.000 0.217 785 A C 2.373 179.915 177.584 -0.070 0.000 1.181 785 A CA 1.455 53.289 52.037 -0.339 0.000 0.623 785 A CB -0.535 18.163 19.000 -0.502 0.000 0.818 785 A HN 0.306 nan 8.150 nan 0.000 0.443 786 R N -0.905 119.523 120.500 -0.121 0.000 2.073 786 R HA -0.111 4.231 4.340 0.004 0.000 0.234 786 R C 2.431 178.663 176.300 -0.114 0.000 1.134 786 R CA 1.467 57.493 56.100 -0.123 0.000 0.952 786 R CB -0.283 29.933 30.300 -0.139 0.000 0.850 786 R HN 0.489 nan 8.270 nan 0.000 0.433 787 Q N 0.598 120.341 119.800 -0.095 0.000 2.119 787 Q HA -0.085 4.257 4.340 0.004 0.000 0.201 787 Q C 2.238 178.193 176.000 -0.074 0.000 0.972 787 Q CA 1.225 56.999 55.803 -0.048 0.000 0.847 787 Q CB -0.120 28.645 28.738 0.045 0.000 0.903 787 Q HN 0.396 nan 8.270 nan 0.000 0.433 788 L N 0.077 121.216 121.223 -0.140 0.000 2.217 788 L HA -0.119 4.223 4.340 0.004 0.000 0.211 788 L C 2.245 179.083 176.870 -0.054 0.000 1.107 788 L CA 1.014 55.787 54.840 -0.112 0.000 0.783 788 L CB -0.346 41.678 42.059 -0.057 0.000 0.919 788 L HN 0.179 nan 8.230 nan 0.000 0.442 789 T N 0.042 114.564 114.554 -0.053 0.000 2.777 789 T HA -0.113 4.239 4.350 0.004 0.000 0.266 789 T C 1.960 176.484 174.700 -0.293 0.000 1.040 789 T CA 1.016 62.983 62.100 -0.222 0.000 1.141 789 T CB -0.105 68.555 68.868 -0.346 0.000 0.868 789 T HN 0.174 nan 8.240 nan 0.000 0.444 790 L N 0.466 121.558 121.223 -0.219 0.000 2.046 790 L HA -0.033 4.309 4.340 0.004 0.000 0.208 790 L C 2.502 179.341 176.870 -0.051 0.000 1.077 790 L CA 1.063 55.837 54.840 -0.110 0.000 0.747 790 L CB -0.480 41.552 42.059 -0.046 0.000 0.896 790 L HN 0.254 nan 8.230 nan 0.000 0.432 791 L N -0.253 120.925 121.223 -0.075 0.000 1.994 791 L HA -0.256 4.086 4.340 0.004 0.000 0.208 791 L C 2.523 179.295 176.870 -0.162 0.000 1.071 791 L CA 1.674 56.451 54.840 -0.105 0.000 0.745 791 L CB -0.173 41.805 42.059 -0.135 0.000 0.892 791 L HN 0.327 nan 8.230 nan 0.000 0.431 792 E N -1.118 118.970 120.200 -0.187 0.000 2.150 792 E HA -0.216 4.136 4.350 0.004 0.000 0.193 792 E C 2.221 178.838 176.600 0.028 0.000 0.985 792 E CA 1.248 57.566 56.400 -0.136 0.000 0.814 792 E CB 0.012 29.646 29.700 -0.108 0.000 0.752 792 E HN 0.363 nan 8.360 nan 0.000 0.466 793 S N 0.728 116.458 115.700 0.049 0.000 2.355 793 S HA -0.181 4.291 4.470 0.004 0.000 0.222 793 S C 1.541 176.274 174.600 0.221 0.000 1.031 793 S CA 1.443 59.769 58.200 0.210 0.000 0.993 793 S CB -0.187 63.181 63.200 0.281 0.000 0.859 793 S HN 0.166 nan 8.310 nan 0.000 0.453 794 D N 1.249 121.724 120.400 0.125 0.000 2.149 794 D HA -0.059 4.583 4.640 0.004 0.000 0.198 794 D C 1.968 178.311 176.300 0.071 0.000 0.990 794 D CA 0.964 55.023 54.000 0.098 0.000 0.839 794 D CB -0.397 40.437 40.800 0.057 0.000 0.948 794 D HN 0.400 nan 8.370 nan 0.000 0.460 795 L N -0.357 120.892 121.223 0.044 0.000 2.056 795 L HA -0.191 4.151 4.340 0.004 0.000 0.207 795 L C 2.470 179.389 176.870 0.082 0.000 1.078 795 L CA 0.909 55.763 54.840 0.022 0.000 0.749 795 L CB -0.487 41.553 42.059 -0.031 0.000 0.901 795 L HN 0.056 nan 8.230 nan 0.000 0.433 796 Y N 1.166 121.510 120.300 0.072 0.000 2.145 796 Y HA -0.234 4.318 4.550 0.003 0.000 0.286 796 Y C 2.667 178.662 175.900 0.158 0.000 1.145 796 Y CA 1.499 59.700 58.100 0.169 0.000 1.148 796 Y CB -0.190 38.389 38.460 0.200 0.000 0.981 796 Y HN -0.044 nan 8.280 nan 0.000 0.507 797 R N -0.182 120.356 120.500 0.063 0.000 2.189 797 R HA -0.025 4.317 4.340 0.004 0.000 0.223 797 R C 2.133 178.388 176.300 -0.075 0.000 1.092 797 R CA 0.792 56.877 56.100 -0.025 0.000 0.989 797 R CB -0.334 30.036 30.300 0.115 0.000 0.876 797 R HN 0.404 nan 8.270 nan 0.000 0.457 798 A N 0.575 123.360 122.820 -0.057 0.000 2.218 798 A HA 0.098 4.420 4.320 0.004 0.000 0.209 798 A C 0.626 178.150 177.584 -0.101 0.000 1.168 798 A CA -0.011 51.987 52.037 -0.065 0.000 0.804 798 A CB 0.428 19.404 19.000 -0.040 0.000 0.834 798 A HN -0.002 nan 8.150 nan 0.000 0.482 799 V N 2.482 122.310 119.914 -0.143 0.000 2.470 799 V HA 0.132 4.254 4.120 0.004 0.000 0.276 799 V C -0.167 175.855 176.094 -0.119 0.000 1.040 799 V CA -0.333 61.870 62.300 -0.162 0.000 1.008 799 V CB 0.752 32.434 31.823 -0.235 0.000 0.990 799 V HN 0.470 nan 8.190 nan 0.000 0.477 800 Q N 6.149 125.886 119.800 -0.105 0.000 2.214 800 Q HA 0.342 4.684 4.340 0.004 0.000 0.251 800 Q C -1.708 174.256 176.000 -0.059 0.000 0.936 800 Q CA -2.324 53.432 55.803 -0.078 0.000 0.894 800 Q CB 1.174 29.866 28.738 -0.076 0.000 1.252 800 Q HN 0.317 nan 8.270 nan 0.000 0.448 801 P HA -0.175 nan 4.420 nan 0.000 0.218 801 P C 1.235 178.542 177.300 0.011 0.000 1.148 801 P CA 1.702 64.811 63.100 0.015 0.000 0.822 801 P CB 0.195 31.935 31.700 0.067 0.000 0.784 802 S N -0.280 115.398 115.700 -0.037 0.000 2.440 802 S HA -0.190 4.282 4.470 0.004 0.000 0.238 802 S C 1.625 176.158 174.600 -0.111 0.000 1.010 802 S CA 1.122 59.238 58.200 -0.140 0.000 0.972 802 S CB -1.124 61.730 63.200 -0.576 0.000 0.774 802 S HN 0.303 nan 8.310 nan 0.000 0.501 803 E N 0.553 120.706 120.200 -0.079 0.000 2.481 803 E HA 0.189 4.541 4.350 0.004 0.000 0.195 803 E C 1.482 178.138 176.600 0.093 0.000 1.047 803 E CA 0.462 56.843 56.400 -0.031 0.000 0.867 803 E CB -0.073 29.573 29.700 -0.089 0.000 0.858 803 E HN 0.593 nan 8.360 nan 0.000 0.513 804 L N -0.242 121.045 121.223 0.106 0.000 2.526 804 L HA 0.149 4.491 4.340 0.004 0.000 0.210 804 L C 0.826 177.879 176.870 0.306 0.000 1.048 804 L CA -0.096 54.893 54.840 0.249 0.000 0.852 804 L CB 0.144 42.257 42.059 0.090 0.000 1.128 804 L HN -0.130 nan 8.230 nan 0.000 0.482 805 V N 1.768 121.764 119.914 0.138 0.000 2.694 805 V HA 0.168 4.290 4.120 0.004 0.000 0.306 805 V C 1.418 177.541 176.094 0.048 0.000 1.054 805 V CA 1.289 63.636 62.300 0.078 0.000 1.161 805 V CB 0.298 32.130 31.823 0.015 0.000 0.916 805 V HN 0.681 nan 8.190 nan 0.000 0.490 806 G N 3.654 112.462 108.800 0.012 0.000 2.162 806 G HA2 -0.282 3.680 3.960 0.004 0.000 0.260 806 G HA3 -0.282 3.680 3.960 0.004 0.000 0.260 806 G C 0.482 175.326 174.900 -0.093 0.000 0.976 806 G CA 0.458 45.533 45.100 -0.041 0.000 0.655 806 G HN 1.522 nan 8.290 nan 0.000 0.533 807 S N -2.546 113.102 115.700 -0.087 0.000 3.533 807 S HA -0.341 4.131 4.470 0.004 0.000 0.347 807 S C 2.072 176.374 174.600 -0.496 0.000 1.101 807 S CA 1.517 59.431 58.200 -0.478 0.000 1.009 807 S CB -2.125 60.770 63.200 -0.509 0.000 0.916 807 S HN 2.192 nan 8.310 nan 0.000 0.496 808 V N -1.332 118.500 119.914 -0.137 0.000 2.720 808 V HA -0.158 3.964 4.120 0.004 0.000 0.256 808 V C 1.898 177.953 176.094 -0.065 0.000 1.082 808 V CA 1.985 64.232 62.300 -0.088 0.000 1.101 808 V CB -1.250 30.569 31.823 -0.006 0.000 0.693 808 V HN 0.915 nan 8.190 nan 0.000 0.479 809 W N 2.286 123.555 121.300 -0.051 0.000 2.825 809 W HA 0.117 4.779 4.660 0.003 0.000 0.243 809 W C 1.828 178.324 176.519 -0.038 0.000 1.293 809 W CA 1.055 58.367 57.345 -0.055 0.000 1.403 809 W CB -1.152 28.265 29.460 -0.072 0.000 1.134 809 W HN 0.319 nan 8.180 nan 0.000 0.666 810 T N -2.817 111.300 114.554 -0.729 0.000 3.040 810 T HA 0.214 4.566 4.350 0.004 0.000 0.250 810 T C 0.847 175.383 174.700 -0.273 0.000 1.058 810 T CA -0.261 61.516 62.100 -0.538 0.000 0.988 810 T CB -0.046 68.402 68.868 -0.700 0.000 0.993 810 T HN -0.180 nan 8.240 nan 0.000 0.519 811 K N 1.982 122.250 120.400 -0.219 0.000 2.148 811 K HA 0.270 4.593 4.320 0.004 0.000 0.239 811 K C 1.495 178.047 176.600 -0.080 0.000 1.018 811 K CA -0.351 55.855 56.287 -0.135 0.000 0.923 811 K CB 0.866 33.292 32.500 -0.123 0.000 1.117 811 K HN 0.484 nan 8.250 nan 0.000 0.477 812 E N -0.018 120.146 120.200 -0.060 0.000 2.265 812 E HA -0.174 4.178 4.350 0.004 0.000 0.196 812 E C -0.304 176.279 176.600 -0.029 0.000 0.996 812 E CA 1.280 57.657 56.400 -0.039 0.000 0.832 812 E CB 0.078 29.758 29.700 -0.033 0.000 0.756 812 E HN 0.291 nan 8.360 nan 0.000 0.491 813 D N 1.345 121.726 120.400 -0.032 0.000 2.460 813 D HA 0.005 4.647 4.640 0.004 0.000 0.229 813 D C 1.105 177.395 176.300 -0.017 0.000 1.170 813 D CA 0.133 54.119 54.000 -0.023 0.000 0.827 813 D CB 0.345 41.130 40.800 -0.025 0.000 0.973 813 D HN 0.428 nan 8.370 nan 0.000 0.496 814 K N 0.578 120.970 120.400 -0.013 0.000 2.152 814 K HA -0.148 4.174 4.320 0.004 0.000 0.206 814 K C 1.184 177.793 176.600 0.015 0.000 1.048 814 K CA 0.927 57.222 56.287 0.013 0.000 0.933 814 K CB 0.029 32.548 32.500 0.031 0.000 0.721 814 K HN -0.031 nan 8.250 nan 0.000 0.447 815 E N 1.057 121.260 120.200 0.005 0.000 2.153 815 E HA -0.105 4.247 4.350 0.004 0.000 0.194 815 E C 2.139 178.734 176.600 -0.007 0.000 0.988 815 E CA 1.069 57.469 56.400 0.001 0.000 0.811 815 E CB -0.148 29.552 29.700 -0.001 0.000 0.746 815 E HN 0.513 nan 8.360 nan 0.000 0.466 816 I N 1.279 121.843 120.570 -0.010 0.000 2.400 816 I HA -0.155 4.017 4.170 0.004 0.000 0.248 816 I C 1.804 177.905 176.117 -0.026 0.000 1.109 816 I CA 0.623 61.913 61.300 -0.015 0.000 1.425 816 I CB -0.107 37.884 38.000 -0.014 0.000 1.094 816 I HN -0.025 nan 8.210 nan 0.000 0.425 817 N N 0.036 118.721 118.700 -0.024 0.000 2.415 817 N HA 0.028 4.770 4.740 0.004 0.000 0.176 817 N C 0.557 176.046 175.510 -0.036 0.000 1.042 817 N CA 0.636 53.663 53.050 -0.039 0.000 0.902 817 N CB 0.422 38.890 38.487 -0.032 0.000 0.986 817 N HN 0.101 nan 8.380 nan 0.000 0.447 818 S N 1.148 116.842 115.700 -0.010 0.000 2.558 818 S HA 0.201 4.673 4.470 0.004 0.000 0.238 818 S C -1.762 172.814 174.600 -0.041 0.000 1.183 818 S CA -0.869 57.322 58.200 -0.015 0.000 1.185 818 S CB 1.414 64.656 63.200 0.070 0.000 1.003 818 S HN 0.196 nan 8.310 nan 0.000 0.478 819 P HA -0.133 nan 4.420 nan 0.000 0.215 819 P C 0.889 178.151 177.300 -0.063 0.000 1.153 819 P CA 1.326 64.400 63.100 -0.044 0.000 0.853 819 P CB 0.100 31.779 31.700 -0.035 0.000 0.788 820 N N -0.189 118.460 118.700 -0.085 0.000 2.216 820 N HA -0.089 4.653 4.740 0.004 0.000 0.183 820 N C 1.967 177.382 175.510 -0.159 0.000 1.017 820 N CA 0.622 53.610 53.050 -0.104 0.000 0.861 820 N CB -0.941 37.483 38.487 -0.106 0.000 0.986 820 N HN 0.114 nan 8.380 nan 0.000 0.428 821 L N 1.643 122.733 121.223 -0.223 0.000 1.994 821 L HA -0.045 4.297 4.340 0.004 0.000 0.208 821 L C 2.122 178.853 176.870 -0.233 0.000 1.071 821 L CA 1.328 55.952 54.840 -0.359 0.000 0.745 821 L CB -0.668 41.128 42.059 -0.439 0.000 0.892 821 L HN 0.061 nan 8.230 nan 0.000 0.431 822 L N -0.447 120.699 121.223 -0.128 0.000 2.083 822 L HA -0.244 4.098 4.340 0.004 0.000 0.209 822 L C 2.650 179.496 176.870 -0.040 0.000 1.083 822 L CA 1.669 56.472 54.840 -0.060 0.000 0.752 822 L CB -0.641 41.408 42.059 -0.017 0.000 0.899 822 L HN 0.362 nan 8.230 nan 0.000 0.433 823 K N -0.051 120.323 120.400 -0.044 0.000 2.097 823 K HA -0.214 4.108 4.320 0.004 0.000 0.205 823 K C 2.282 178.887 176.600 0.009 0.000 1.050 823 K CA 1.147 57.426 56.287 -0.014 0.000 0.938 823 K CB -0.021 32.466 32.500 -0.022 0.000 0.718 823 K HN 0.134 nan 8.250 nan 0.000 0.442 824 M N 1.190 120.771 119.600 -0.031 0.000 2.099 824 M HA -0.123 4.359 4.480 0.004 0.000 0.262 824 M C 1.807 178.140 176.300 0.056 0.000 1.067 824 M CA 1.567 56.869 55.300 0.003 0.000 1.124 824 M CB -0.348 32.217 32.600 -0.059 0.000 1.353 824 M HN 0.200 nan 8.290 nan 0.000 0.410 825 I N -0.251 120.315 120.570 -0.007 0.000 2.252 825 I HA -0.304 3.868 4.170 0.004 0.000 0.245 825 I C 2.389 178.542 176.117 0.060 0.000 1.102 825 I CA 1.088 62.404 61.300 0.027 0.000 1.385 825 I CB -0.435 37.556 38.000 -0.016 0.000 1.064 825 I HN 0.313 nan 8.210 nan 0.000 0.414 826 R N -0.360 120.168 120.500 0.046 0.000 2.115 826 R HA -0.207 4.135 4.340 0.004 0.000 0.230 826 R C 2.324 178.650 176.300 0.042 0.000 1.111 826 R CA 1.460 57.584 56.100 0.039 0.000 0.976 826 R CB -0.517 29.797 30.300 0.024 0.000 0.870 826 R HN 0.469 nan 8.270 nan 0.000 0.445 827 H N 0.045 119.115 119.070 0.000 0.000 2.326 827 H HA -0.032 4.526 4.556 0.004 0.000 0.301 827 H C 1.688 177.026 175.328 0.016 0.000 1.081 827 H CA 2.127 58.173 56.048 -0.003 0.000 1.334 827 H CB -0.103 29.658 29.762 -0.002 0.000 1.385 827 H HN -0.060 nan 8.280 nan 0.000 0.504 828 T N -0.409 114.163 114.554 0.031 0.000 2.720 828 T HA -0.173 4.180 4.350 0.004 0.000 0.268 828 T C 1.911 176.603 174.700 -0.013 0.000 1.037 828 T CA 1.924 64.038 62.100 0.022 0.000 1.144 828 T CB -0.514 68.452 68.868 0.164 0.000 0.864 828 T HN 0.495 nan 8.240 nan 0.000 0.444 829 T N 2.362 116.927 114.554 0.018 0.000 2.708 829 T HA -0.087 4.265 4.350 0.004 0.000 0.266 829 T C 2.063 176.769 174.700 0.009 0.000 1.037 829 T CA 0.892 63.017 62.100 0.042 0.000 1.146 829 T CB -0.347 68.553 68.868 0.053 0.000 0.865 829 T HN 0.299 nan 8.240 nan 0.000 0.435 830 N N 1.090 119.754 118.700 -0.060 0.000 2.166 830 N HA -0.030 4.712 4.740 0.004 0.000 0.186 830 N C 1.753 177.212 175.510 -0.084 0.000 1.019 830 N CA 0.719 53.721 53.050 -0.081 0.000 0.856 830 N CB -0.434 37.975 38.487 -0.131 0.000 0.993 830 N HN 0.212 nan 8.380 nan 0.000 0.426 831 L N 1.139 122.237 121.223 -0.208 0.000 2.093 831 L HA -0.049 4.293 4.340 0.004 0.000 0.208 831 L C 2.050 178.857 176.870 -0.105 0.000 1.085 831 L CA 1.494 56.197 54.840 -0.228 0.000 0.755 831 L CB -0.908 40.939 42.059 -0.353 0.000 0.904 831 L HN 0.061 nan 8.230 nan 0.000 0.435 832 T N -0.239 114.357 114.554 0.069 0.000 2.708 832 T HA -0.174 4.178 4.350 0.004 0.000 0.266 832 T C 1.935 176.788 174.700 0.255 0.000 1.037 832 T CA 1.785 64.032 62.100 0.246 0.000 1.146 832 T CB -0.315 68.675 68.868 0.202 0.000 0.865 832 T HN 0.267 nan 8.240 nan 0.000 0.435 833 L N -0.859 120.492 121.223 0.214 0.000 2.083 833 L HA -0.080 4.262 4.340 0.004 0.000 0.209 833 L C 2.443 179.517 176.870 0.341 0.000 1.083 833 L CA 1.297 56.317 54.840 0.300 0.000 0.752 833 L CB -0.480 41.751 42.059 0.286 0.000 0.899 833 L HN 0.395 nan 8.230 nan 0.000 0.433 834 W N 0.718 122.047 121.300 0.048 0.000 2.358 834 W HA -0.218 4.444 4.660 0.003 0.000 0.303 834 W C 2.249 178.849 176.519 0.135 0.000 1.208 834 W CA 1.255 58.621 57.345 0.035 0.000 1.274 834 W CB -0.368 29.017 29.460 -0.124 0.000 1.138 834 W HN -0.018 nan 8.180 nan 0.000 0.515 835 F N 1.146 121.175 119.950 0.132 0.000 2.134 835 F HA -0.174 4.355 4.527 0.003 0.000 0.299 835 F C 2.349 178.116 175.800 -0.056 0.000 1.097 835 F CA 2.063 60.024 58.000 -0.066 0.000 1.264 835 F CB -1.327 37.722 39.000 0.082 0.000 1.001 835 F HN -0.013 nan 8.300 nan 0.000 0.479 836 E N -0.009 120.341 120.200 0.249 0.000 2.077 836 E HA -0.252 4.100 4.350 0.004 0.000 0.193 836 E C 2.212 178.863 176.600 0.085 0.000 0.989 836 E CA 1.362 57.855 56.400 0.156 0.000 0.800 836 E CB -0.226 29.579 29.700 0.174 0.000 0.746 836 E HN 0.331 nan 8.360 nan 0.000 0.452 837 K N 0.645 121.122 120.400 0.129 0.000 2.025 837 K HA -0.147 4.176 4.320 0.004 0.000 0.207 837 K C 2.201 178.815 176.600 0.024 0.000 1.049 837 K CA 1.433 57.798 56.287 0.131 0.000 0.933 837 K CB -0.160 32.536 32.500 0.326 0.000 0.714 837 K HN 0.159 nan 8.250 nan 0.000 0.438 838 C N 0.798 120.037 119.300 -0.102 0.000 2.413 838 C HA -0.109 4.353 4.460 0.004 0.000 0.277 838 C C 2.498 177.462 174.990 -0.044 0.000 1.265 838 C CA 0.565 59.505 59.018 -0.130 0.000 1.752 838 C CB -0.766 26.764 27.740 -0.349 0.000 1.998 838 C HN 0.488 nan 8.230 nan 0.000 0.489 839 I N 1.320 121.864 120.570 -0.044 0.000 2.141 839 I HA -0.147 4.026 4.170 0.004 0.000 0.236 839 I C 2.505 178.576 176.117 -0.076 0.000 1.071 839 I CA 1.906 63.176 61.300 -0.050 0.000 1.345 839 I CB -0.735 37.243 38.000 -0.036 0.000 1.066 839 I HN 0.287 nan 8.210 nan 0.000 0.406 840 V N -1.540 118.321 119.914 -0.088 0.000 2.913 840 V HA -0.134 3.988 4.120 0.004 0.000 0.260 840 V C 1.666 177.653 176.094 -0.178 0.000 1.098 840 V CA 1.477 63.683 62.300 -0.157 0.000 1.121 840 V CB -0.876 30.826 31.823 -0.202 0.000 0.714 840 V HN 0.432 nan 8.190 nan 0.000 0.487 841 E N 0.498 120.637 120.200 -0.102 0.000 2.489 841 E HA 0.079 4.431 4.350 0.004 0.000 0.193 841 E C 0.200 176.741 176.600 -0.098 0.000 1.057 841 E CA 0.322 56.679 56.400 -0.072 0.000 0.866 841 E CB 0.169 29.893 29.700 0.039 0.000 0.916 841 E HN 0.578 nan 8.360 nan 0.000 0.500 842 T N 1.587 116.080 114.554 -0.101 0.000 3.016 842 T HA 0.123 4.475 4.350 0.004 0.000 0.335 842 T C 0.721 175.308 174.700 -0.188 0.000 1.176 842 T CA -0.182 61.856 62.100 -0.104 0.000 0.987 842 T CB 0.743 69.628 68.868 0.029 0.000 1.073 842 T HN 0.104 nan 8.240 nan 0.000 0.547 843 E N 1.888 121.920 120.200 -0.279 0.000 2.106 843 E HA -0.075 4.277 4.350 0.004 0.000 0.192 843 E C 1.183 177.590 176.600 -0.322 0.000 0.984 843 E CA 0.328 56.415 56.400 -0.521 0.000 0.806 843 E CB 0.152 29.409 29.700 -0.740 0.000 0.750 843 E HN 0.492 nan 8.360 nan 0.000 0.458 844 N N 1.772 120.415 118.700 -0.095 0.000 2.452 844 N HA -0.078 4.664 4.740 0.004 0.000 0.266 844 N C 0.969 176.473 175.510 -0.010 0.000 1.209 844 N CA -0.150 52.916 53.050 0.025 0.000 0.929 844 N CB 1.097 39.593 38.487 0.014 0.000 1.063 844 N HN 0.011 nan 8.380 nan 0.000 0.472 845 L N 5.254 126.486 121.223 0.015 0.000 1.971 845 L HA -0.203 4.139 4.340 0.004 0.000 0.215 845 L C 2.295 179.152 176.870 -0.022 0.000 1.072 845 L CA 2.024 56.855 54.840 -0.015 0.000 0.758 845 L CB -0.868 41.190 42.059 -0.002 0.000 0.889 845 L HN 0.768 nan 8.230 nan 0.000 0.433 846 E N -0.719 119.478 120.200 -0.006 0.000 2.085 846 E HA -0.278 4.074 4.350 0.004 0.000 0.194 846 E C 1.992 178.594 176.600 0.003 0.000 0.994 846 E CA 1.777 58.173 56.400 -0.006 0.000 0.801 846 E CB -0.171 29.530 29.700 0.002 0.000 0.743 846 E HN 0.703 nan 8.360 nan 0.000 0.453 847 E N -0.061 120.157 120.200 0.030 0.000 2.150 847 E HA -0.185 4.167 4.350 0.004 0.000 0.193 847 E C 2.250 178.889 176.600 0.065 0.000 0.985 847 E CA 0.618 57.074 56.400 0.093 0.000 0.814 847 E CB -0.087 29.720 29.700 0.178 0.000 0.752 847 E HN 0.158 nan 8.360 nan 0.000 0.466 848 R N 0.797 121.299 120.500 0.003 0.000 2.092 848 R HA -0.110 4.232 4.340 0.004 0.000 0.231 848 R C 2.239 178.477 176.300 -0.103 0.000 1.119 848 R CA 0.838 56.908 56.100 -0.050 0.000 0.970 848 R CB -0.064 30.179 30.300 -0.096 0.000 0.864 848 R HN -0.004 nan 8.270 nan 0.000 0.440 849 V N 1.010 120.862 119.914 -0.105 0.000 2.332 849 V HA -0.250 3.872 4.120 0.004 0.000 0.248 849 V C 2.425 178.451 176.094 -0.114 0.000 1.055 849 V CA 1.979 64.196 62.300 -0.139 0.000 1.038 849 V CB -0.690 31.072 31.823 -0.101 0.000 0.651 849 V HN 0.555 nan 8.190 nan 0.000 0.450 850 A N -0.491 122.287 122.820 -0.070 0.000 1.933 850 A HA -0.151 4.171 4.320 0.004 0.000 0.218 850 A C 2.392 179.923 177.584 -0.087 0.000 1.175 850 A CA 2.010 54.008 52.037 -0.066 0.000 0.628 850 A CB -0.601 18.376 19.000 -0.039 0.000 0.814 850 A HN 0.339 nan 8.150 nan 0.000 0.444 851 V N -0.528 119.339 119.914 -0.080 0.000 2.307 851 V HA -0.213 3.910 4.120 0.004 0.000 0.245 851 V C 2.582 178.604 176.094 -0.120 0.000 1.045 851 V CA 1.951 64.197 62.300 -0.089 0.000 1.024 851 V CB -0.653 31.143 31.823 -0.046 0.000 0.651 851 V HN 0.369 nan 8.190 nan 0.000 0.449 852 V N -0.201 119.620 119.914 -0.155 0.000 2.343 852 V HA -0.246 3.876 4.120 0.004 0.000 0.247 852 V C 2.564 178.562 176.094 -0.160 0.000 1.051 852 V CA 2.367 64.550 62.300 -0.194 0.000 1.036 852 V CB -0.632 30.983 31.823 -0.347 0.000 0.654 852 V HN 0.553 nan 8.190 nan 0.000 0.451 853 S N -0.598 115.017 115.700 -0.143 0.000 2.382 853 S HA -0.212 4.260 4.470 0.004 0.000 0.228 853 S C 2.121 176.652 174.600 -0.114 0.000 1.027 853 S CA 1.555 59.688 58.200 -0.112 0.000 0.991 853 S CB -0.338 62.805 63.200 -0.096 0.000 0.823 853 S HN 0.446 nan 8.310 nan 0.000 0.469 854 R N 1.464 121.893 120.500 -0.118 0.000 2.096 854 R HA 0.118 4.460 4.340 0.004 0.000 0.235 854 R C 1.892 178.108 176.300 -0.140 0.000 1.127 854 R CA 1.256 57.285 56.100 -0.119 0.000 0.968 854 R CB -0.676 29.565 30.300 -0.098 0.000 0.861 854 R HN 0.440 nan 8.270 nan 0.000 0.440 855 I N -0.226 120.241 120.570 -0.172 0.000 2.394 855 I HA -0.225 3.948 4.170 0.004 0.000 0.251 855 I C 1.859 177.820 176.117 -0.261 0.000 1.136 855 I CA 1.102 62.227 61.300 -0.292 0.000 1.425 855 I CB -0.158 37.594 38.000 -0.413 0.000 1.079 855 I HN 0.142 nan 8.210 nan 0.000 0.425 856 I N 0.392 120.862 120.570 -0.167 0.000 2.439 856 I HA -0.205 3.967 4.170 0.004 0.000 0.251 856 I C 2.304 178.354 176.117 -0.112 0.000 1.139 856 I CA 1.174 62.408 61.300 -0.110 0.000 1.438 856 I CB -0.302 37.664 38.000 -0.056 0.000 1.085 856 I HN 0.233 nan 8.210 nan 0.000 0.427 857 E N 0.990 121.114 120.200 -0.126 0.000 2.106 857 E HA -0.170 4.182 4.350 0.004 0.000 0.192 857 E C 2.303 178.799 176.600 -0.173 0.000 0.984 857 E CA 1.113 57.438 56.400 -0.125 0.000 0.806 857 E CB -0.001 29.625 29.700 -0.124 0.000 0.750 857 E HN 0.497 nan 8.360 nan 0.000 0.458 858 I N 1.252 121.682 120.570 -0.233 0.000 2.226 858 I HA -0.262 3.910 4.170 0.004 0.000 0.245 858 I C 2.584 178.404 176.117 -0.495 0.000 1.100 858 I CA 0.733 61.794 61.300 -0.399 0.000 1.374 858 I CB -0.162 37.612 38.000 -0.377 0.000 1.057 858 I HN 0.158 nan 8.210 nan 0.000 0.413 859 L N 0.487 121.566 121.223 -0.240 0.000 2.042 859 L HA -0.294 4.048 4.340 0.004 0.000 0.210 859 L C 2.656 179.533 176.870 0.012 0.000 1.076 859 L CA 1.679 56.521 54.840 0.003 0.000 0.749 859 L CB -0.379 41.694 42.059 0.024 0.000 0.893 859 L HN 0.305 nan 8.230 nan 0.000 0.432 860 Q N -0.671 119.097 119.800 -0.052 0.000 2.135 860 Q HA -0.200 4.142 4.340 0.004 0.000 0.204 860 Q C 2.045 178.022 176.000 -0.039 0.000 0.981 860 Q CA 2.339 58.122 55.803 -0.033 0.000 0.856 860 Q CB -0.006 28.704 28.738 -0.047 0.000 0.902 860 Q HN 0.545 nan 8.270 nan 0.000 0.425 861 V N 0.304 120.157 119.914 -0.101 0.000 2.453 861 V HA -0.187 3.935 4.120 0.004 0.000 0.247 861 V C 1.926 178.019 176.094 -0.001 0.000 1.048 861 V CA 1.193 63.438 62.300 -0.093 0.000 1.049 861 V CB -0.655 31.069 31.823 -0.166 0.000 0.672 861 V HN 0.324 nan 8.190 nan 0.000 0.457 862 F N 0.652 120.558 119.950 -0.073 0.000 2.126 862 F HA -0.178 4.351 4.527 0.003 0.000 0.299 862 F C 2.635 178.350 175.800 -0.143 0.000 1.096 862 F CA 1.197 59.139 58.000 -0.097 0.000 1.255 862 F CB -0.927 38.035 39.000 -0.063 0.000 0.997 862 F HN 0.192 nan 8.300 nan 0.000 0.479 863 Q N 0.123 119.973 119.800 0.083 0.000 2.084 863 Q HA -0.199 4.144 4.340 0.004 0.000 0.202 863 Q C 2.108 178.073 176.000 -0.058 0.000 0.978 863 Q CA 1.496 57.279 55.803 -0.034 0.000 0.844 863 Q CB -0.464 28.283 28.738 0.015 0.000 0.898 863 Q HN 0.552 nan 8.270 nan 0.000 0.426 864 E N 0.466 120.657 120.200 -0.015 0.000 2.110 864 E HA -0.117 4.236 4.350 0.004 0.000 0.193 864 E C 1.784 178.381 176.600 -0.006 0.000 0.988 864 E CA 0.636 57.028 56.400 -0.013 0.000 0.804 864 E CB 0.012 29.705 29.700 -0.011 0.000 0.745 864 E HN 0.278 nan 8.360 nan 0.000 0.458 865 L N 0.783 122.011 121.223 0.010 0.000 2.591 865 L HA 0.052 4.394 4.340 0.004 0.000 0.228 865 L C -0.003 176.897 176.870 0.050 0.000 1.133 865 L CA -0.154 54.731 54.840 0.076 0.000 0.880 865 L CB -0.169 41.929 42.059 0.066 0.000 1.033 865 L HN 0.116 nan 8.230 nan 0.000 0.450 866 N N 0.722 119.321 118.700 -0.169 0.000 2.725 866 N HA -0.218 4.524 4.740 0.004 0.000 0.249 866 N C 0.061 175.237 175.510 -0.557 0.000 1.103 866 N CA 0.634 53.384 53.050 -0.500 0.000 0.707 866 N CB -1.574 36.785 38.487 -0.215 0.000 1.043 866 N HN 0.325 nan 8.380 nan 0.000 0.553 867 N N 0.667 119.146 118.700 -0.370 0.000 2.719 867 N HA 0.176 4.918 4.740 0.004 0.000 0.243 867 N C 0.646 175.940 175.510 -0.359 0.000 1.104 867 N CA -0.320 52.558 53.050 -0.287 0.000 0.981 867 N CB -0.334 37.983 38.487 -0.284 0.000 1.290 867 N HN 0.070 nan 8.380 nan 0.000 0.513 868 F N 1.595 121.528 119.950 -0.028 0.000 2.234 868 F HA -0.035 4.494 4.527 0.003 0.000 0.299 868 F C 2.148 177.927 175.800 -0.036 0.000 1.087 868 F CA 0.584 58.605 58.000 0.035 0.000 1.340 868 F CB -0.407 38.726 39.000 0.222 0.000 1.031 868 F HN 0.449 nan 8.300 nan 0.000 0.500 869 N N 0.360 119.116 118.700 0.094 0.000 2.142 869 N HA -0.105 4.638 4.740 0.004 0.000 0.186 869 N C 2.189 177.626 175.510 -0.122 0.000 1.023 869 N CA 1.469 54.561 53.050 0.070 0.000 0.852 869 N CB -0.583 37.962 38.487 0.098 0.000 0.998 869 N HN 0.183 nan 8.380 nan 0.000 0.424 870 G N -0.077 108.452 108.800 -0.452 0.000 2.418 870 G HA2 -0.180 3.782 3.960 0.004 0.000 0.217 870 G HA3 -0.180 3.782 3.960 0.004 0.000 0.217 870 G C 1.569 176.220 174.900 -0.415 0.000 1.158 870 G CA 0.982 45.456 45.100 -1.044 0.000 0.771 870 G HN 0.233 nan 8.290 nan 0.000 0.545 871 V N 1.108 120.914 119.914 -0.179 0.000 2.287 871 V HA -0.154 3.969 4.120 0.004 0.000 0.248 871 V C 2.894 179.028 176.094 0.068 0.000 1.053 871 V CA 1.600 63.953 62.300 0.087 0.000 1.027 871 V CB -0.418 31.472 31.823 0.113 0.000 0.646 871 V HN 0.355 nan 8.190 nan 0.000 0.447 872 L N -0.567 120.655 121.223 -0.002 0.000 2.217 872 L HA -0.129 4.213 4.340 0.004 0.000 0.211 872 L C 2.472 179.346 176.870 0.006 0.000 1.107 872 L CA 1.194 55.994 54.840 -0.066 0.000 0.783 872 L CB -0.651 41.223 42.059 -0.308 0.000 0.919 872 L HN 0.411 nan 8.230 nan 0.000 0.442 873 E N -0.086 120.160 120.200 0.077 0.000 2.077 873 E HA -0.182 4.170 4.350 0.004 0.000 0.193 873 E C 2.291 179.062 176.600 0.285 0.000 0.989 873 E CA 1.222 57.740 56.400 0.197 0.000 0.800 873 E CB -0.024 29.838 29.700 0.270 0.000 0.746 873 E HN 0.265 nan 8.360 nan 0.000 0.452 874 V N 0.676 120.734 119.914 0.240 0.000 2.323 874 V HA -0.200 3.922 4.120 0.004 0.000 0.244 874 V C 2.308 178.442 176.094 0.067 0.000 1.041 874 V CA 1.155 63.510 62.300 0.092 0.000 1.025 874 V CB -0.228 31.596 31.823 0.002 0.000 0.656 874 V HN 0.126 nan 8.190 nan 0.000 0.451 875 V N -0.051 119.903 119.914 0.067 0.000 2.332 875 V HA -0.258 3.865 4.120 0.004 0.000 0.248 875 V C 2.589 178.707 176.094 0.040 0.000 1.055 875 V CA 2.382 64.709 62.300 0.046 0.000 1.038 875 V CB -0.713 31.145 31.823 0.059 0.000 0.651 875 V HN 0.553 nan 8.190 nan 0.000 0.450 876 S N 0.078 115.811 115.700 0.054 0.000 2.370 876 S HA -0.194 4.278 4.470 0.004 0.000 0.226 876 S C 2.190 176.846 174.600 0.093 0.000 1.033 876 S CA 1.481 59.716 58.200 0.058 0.000 1.011 876 S CB -0.467 62.775 63.200 0.070 0.000 0.852 876 S HN 0.672 nan 8.310 nan 0.000 0.457 877 A N 1.654 124.562 122.820 0.145 0.000 1.898 877 A HA -0.015 4.307 4.320 0.004 0.000 0.216 877 A C 2.070 179.736 177.584 0.137 0.000 1.181 877 A CA 1.265 53.409 52.037 0.178 0.000 0.620 877 A CB -0.478 18.688 19.000 0.276 0.000 0.819 877 A HN 0.363 nan 8.150 nan 0.000 0.442 878 M N 0.338 119.999 119.600 0.101 0.000 2.279 878 M HA -0.045 4.437 4.480 0.004 0.000 0.264 878 M C 0.868 177.205 176.300 0.062 0.000 1.062 878 M CA 0.946 56.306 55.300 0.100 0.000 1.099 878 M CB -1.276 31.352 32.600 0.047 0.000 1.394 878 M HN 0.393 nan 8.290 nan 0.000 0.426 879 N N 0.703 119.423 118.700 0.033 0.000 2.270 879 N HA 0.037 4.779 4.740 0.004 0.000 0.198 879 N C 0.180 175.690 175.510 0.000 0.000 1.117 879 N CA 0.012 53.066 53.050 0.006 0.000 0.845 879 N CB 0.563 38.975 38.487 -0.125 0.000 0.980 879 N HN 0.302 nan 8.380 nan 0.000 0.486 880 S N -0.692 115.051 115.700 0.072 0.000 2.593 880 S HA 0.196 4.668 4.470 0.004 0.000 0.269 880 S C 1.489 176.160 174.600 0.119 0.000 1.334 880 S CA -0.475 57.770 58.200 0.075 0.000 1.015 880 S CB 1.749 65.014 63.200 0.109 0.000 0.912 880 S HN -0.025 nan 8.310 nan 0.000 0.541 881 S N 2.588 118.348 115.700 0.100 0.000 2.374 881 S HA -0.039 4.433 4.470 0.004 0.000 0.227 881 S C -0.885 173.924 174.600 0.347 0.000 1.037 881 S CA 1.742 60.052 58.200 0.182 0.000 1.024 881 S CB -1.478 61.751 63.200 0.050 0.000 0.861 881 S HN 0.719 nan 8.310 nan 0.000 0.456 882 P HA 0.016 nan 4.420 nan 0.000 0.217 882 P C 1.323 178.691 177.300 0.113 0.000 1.151 882 P CA 0.743 63.957 63.100 0.190 0.000 0.828 882 P CB 0.039 31.799 31.700 0.100 0.000 0.788 883 V N -2.096 117.913 119.914 0.159 0.000 2.575 883 V HA -0.136 3.986 4.120 0.004 0.000 0.242 883 V C 2.202 178.445 176.094 0.248 0.000 1.045 883 V CA 0.782 63.196 62.300 0.190 0.000 1.065 883 V CB -1.334 30.610 31.823 0.202 0.000 0.717 883 V HN -0.027 nan 8.190 nan 0.000 0.467 884 Y N 2.871 123.206 120.300 0.059 0.000 2.193 884 Y HA -0.310 4.242 4.550 0.003 0.000 0.285 884 Y C 2.577 178.467 175.900 -0.017 0.000 1.166 884 Y CA 2.311 60.378 58.100 -0.056 0.000 1.181 884 Y CB -0.093 38.322 38.460 -0.074 0.000 0.976 884 Y HN 0.327 nan 8.280 nan 0.000 0.520 885 R N 0.189 120.761 120.500 0.120 0.000 2.313 885 R HA 0.087 4.429 4.340 0.004 0.000 0.199 885 R C 0.230 176.544 176.300 0.024 0.000 0.958 885 R CA 0.387 56.516 56.100 0.047 0.000 1.047 885 R CB -0.716 29.661 30.300 0.128 0.000 0.955 885 R HN 0.323 nan 8.270 nan 0.000 0.481 886 L N 2.777 124.057 121.223 0.095 0.000 2.511 886 L HA 0.065 4.407 4.340 0.004 0.000 0.239 886 L C 0.238 177.199 176.870 0.152 0.000 1.400 886 L CA -0.336 54.573 54.840 0.116 0.000 1.226 886 L CB 0.033 42.149 42.059 0.096 0.000 1.475 886 L HN 0.075 nan 8.230 nan 0.000 0.428 887 D N -0.275 120.144 120.400 0.033 0.000 2.133 887 D HA -0.219 4.423 4.640 0.004 0.000 0.195 887 D C 1.922 178.167 176.300 -0.091 0.000 0.997 887 D CA 1.522 55.486 54.000 -0.059 0.000 0.840 887 D CB 0.065 40.748 40.800 -0.196 0.000 0.947 887 D HN 0.486 nan 8.370 nan 0.000 0.452 888 H N -0.121 118.951 119.070 0.003 0.000 2.457 888 H HA -0.006 4.553 4.556 0.004 0.000 0.294 888 H C 1.933 177.230 175.328 -0.051 0.000 1.064 888 H CA 1.317 57.354 56.048 -0.018 0.000 1.330 888 H CB 0.046 29.796 29.762 -0.020 0.000 1.395 888 H HN 0.151 nan 8.280 nan 0.000 0.541 889 T N 0.539 115.100 114.554 0.011 0.000 2.770 889 T HA -0.066 4.286 4.350 0.004 0.000 0.258 889 T C 1.778 176.316 174.700 -0.270 0.000 1.039 889 T CA 0.651 62.648 62.100 -0.171 0.000 1.143 889 T CB -0.392 68.286 68.868 -0.317 0.000 0.866 889 T HN 0.130 nan 8.240 nan 0.000 0.428 890 F N 1.706 121.613 119.950 -0.071 0.000 2.365 890 F HA 0.029 4.558 4.527 0.003 0.000 0.300 890 F C 2.382 178.136 175.800 -0.078 0.000 1.090 890 F CA 0.830 58.778 58.000 -0.087 0.000 1.408 890 F CB -0.390 38.533 39.000 -0.128 0.000 1.060 890 F HN 0.224 nan 8.300 nan 0.000 0.534 891 E N 0.542 120.773 120.200 0.051 0.000 2.153 891 E HA -0.224 4.128 4.350 0.004 0.000 0.194 891 E C 1.720 178.319 176.600 -0.001 0.000 0.988 891 E CA 1.465 57.871 56.400 0.010 0.000 0.811 891 E CB -0.326 29.360 29.700 -0.023 0.000 0.746 891 E HN 0.467 nan 8.360 nan 0.000 0.466 892 Q N -0.287 119.500 119.800 -0.021 0.000 2.360 892 Q HA 0.118 4.460 4.340 0.004 0.000 0.202 892 Q C -0.265 175.709 176.000 -0.043 0.000 0.915 892 Q CA -0.305 55.480 55.803 -0.030 0.000 0.943 892 Q CB 0.479 29.196 28.738 -0.035 0.000 1.064 892 Q HN 0.325 nan 8.270 nan 0.000 0.511 893 I N 3.734 124.278 120.570 -0.044 0.000 2.471 893 I HA 0.110 4.282 4.170 0.004 0.000 0.286 893 I C -1.958 174.153 176.117 -0.010 0.000 1.079 893 I CA -2.411 58.865 61.300 -0.040 0.000 1.398 893 I CB 0.325 38.313 38.000 -0.021 0.000 1.403 893 I HN -0.071 nan 8.210 nan 0.000 0.530 894 P HA 0.056 nan 4.420 nan 0.000 0.266 894 P C 0.710 178.010 177.300 0.000 0.000 1.195 894 P CA 0.039 63.133 63.100 -0.010 0.000 0.768 894 P CB 0.628 32.318 31.700 -0.017 0.000 0.838 895 S N 2.976 118.676 115.700 0.001 0.000 2.380 895 S HA -0.238 4.234 4.470 0.004 0.000 0.229 895 S C 1.836 176.439 174.600 0.005 0.000 1.043 895 S CA 1.883 60.086 58.200 0.005 0.000 1.038 895 S CB -0.597 62.604 63.200 0.001 0.000 0.872 895 S HN 0.647 nan 8.310 nan 0.000 0.456 896 R N 1.404 121.904 120.500 0.000 0.000 2.105 896 R HA -0.101 4.241 4.340 0.004 0.000 0.239 896 R C 2.045 178.346 176.300 0.002 0.000 1.135 896 R CA 1.640 57.739 56.100 -0.000 0.000 0.967 896 R CB -0.495 29.802 30.300 -0.005 0.000 0.861 896 R HN 0.436 nan 8.270 nan 0.000 0.442 897 Q N 0.722 120.523 119.800 0.001 0.000 2.187 897 Q HA -0.017 4.325 4.340 0.004 0.000 0.199 897 Q C 1.868 177.883 176.000 0.025 0.000 0.957 897 Q CA 1.225 57.031 55.803 0.005 0.000 0.857 897 Q CB 0.118 28.853 28.738 -0.005 0.000 0.929 897 Q HN 0.429 nan 8.270 nan 0.000 0.453 898 K N 1.031 121.451 120.400 0.032 0.000 2.057 898 K HA -0.166 4.156 4.320 0.004 0.000 0.207 898 K C 2.051 178.665 176.600 0.023 0.000 1.049 898 K CA 1.087 57.398 56.287 0.040 0.000 0.931 898 K CB -0.027 32.492 32.500 0.033 0.000 0.714 898 K HN 0.012 nan 8.250 nan 0.000 0.440 899 K N 1.258 121.669 120.400 0.018 0.000 2.026 899 K HA -0.123 4.199 4.320 0.004 0.000 0.208 899 K C 2.035 178.649 176.600 0.023 0.000 1.048 899 K CA 1.257 57.554 56.287 0.017 0.000 0.929 899 K CB -0.066 32.441 32.500 0.012 0.000 0.713 899 K HN 0.047 nan 8.250 nan 0.000 0.439 900 I N 1.066 121.649 120.570 0.021 0.000 2.163 900 I HA -0.299 3.873 4.170 0.004 0.000 0.243 900 I C 2.344 178.483 176.117 0.036 0.000 1.085 900 I CA 0.724 62.039 61.300 0.025 0.000 1.347 900 I CB -0.211 37.797 38.000 0.014 0.000 1.044 900 I HN 0.250 nan 8.210 nan 0.000 0.408 901 L N 1.023 122.268 121.223 0.035 0.000 2.056 901 L HA -0.214 4.128 4.340 0.004 0.000 0.207 901 L C 2.409 179.314 176.870 0.057 0.000 1.078 901 L CA 1.965 56.829 54.840 0.041 0.000 0.749 901 L CB -0.732 41.349 42.059 0.036 0.000 0.901 901 L HN 0.175 nan 8.230 nan 0.000 0.433 902 E N 0.201 120.429 120.200 0.047 0.000 2.051 902 E HA -0.244 4.108 4.350 0.004 0.000 0.192 902 E C 2.016 178.664 176.600 0.080 0.000 0.991 902 E CA 1.919 58.362 56.400 0.073 0.000 0.799 902 E CB -0.250 29.474 29.700 0.041 0.000 0.748 902 E HN 0.647 nan 8.360 nan 0.000 0.449 903 E N -0.142 120.090 120.200 0.054 0.000 2.110 903 E HA -0.163 4.189 4.350 0.004 0.000 0.193 903 E C 2.043 178.679 176.600 0.060 0.000 0.988 903 E CA 0.939 57.367 56.400 0.046 0.000 0.804 903 E CB -0.225 29.500 29.700 0.042 0.000 0.745 903 E HN 0.399 nan 8.360 nan 0.000 0.458 904 A N 1.192 124.059 122.820 0.079 0.000 1.902 904 A HA -0.237 4.086 4.320 0.004 0.000 0.217 904 A C 1.987 179.625 177.584 0.091 0.000 1.181 904 A CA 1.913 54.008 52.037 0.095 0.000 0.623 904 A CB -0.745 18.312 19.000 0.095 0.000 0.818 904 A HN 0.287 nan 8.150 nan 0.000 0.443 905 H N 0.070 119.132 119.070 -0.013 0.000 2.387 905 H HA -0.075 4.483 4.556 0.004 0.000 0.299 905 H C 1.812 177.100 175.328 -0.067 0.000 1.099 905 H CA 2.018 58.037 56.048 -0.049 0.000 1.315 905 H CB -0.244 29.490 29.762 -0.048 0.000 1.380 905 H HN 0.609 nan 8.280 nan 0.000 0.513 906 E N -0.194 119.915 120.200 -0.151 0.000 2.265 906 E HA -0.118 4.234 4.350 0.004 0.000 0.196 906 E C 2.236 178.744 176.600 -0.155 0.000 0.996 906 E CA 0.729 57.011 56.400 -0.196 0.000 0.832 906 E CB -0.025 29.630 29.700 -0.076 0.000 0.756 906 E HN 0.503 nan 8.360 nan 0.000 0.491 907 L N 0.511 121.692 121.223 -0.071 0.000 2.127 907 L HA -0.188 4.154 4.340 0.004 0.000 0.211 907 L C 2.516 179.339 176.870 -0.079 0.000 1.089 907 L CA 1.399 56.249 54.840 0.016 0.000 0.757 907 L CB -0.420 41.726 42.059 0.145 0.000 0.899 907 L HN 0.205 nan 8.230 nan 0.000 0.434 908 S N -1.979 113.530 115.700 -0.317 0.000 2.501 908 S HA 0.029 4.501 4.470 0.004 0.000 0.220 908 S C 0.719 174.897 174.600 -0.704 0.000 0.997 908 S CA -0.361 57.366 58.200 -0.789 0.000 0.919 908 S CB -0.156 62.533 63.200 -0.851 0.000 0.778 908 S HN 0.354 nan 8.310 nan 0.000 0.523 909 E N 1.627 121.550 120.200 -0.461 0.000 2.422 909 E HA 0.088 4.440 4.350 0.004 0.000 0.260 909 E C -0.302 176.169 176.600 -0.215 0.000 1.108 909 E CA 0.123 56.313 56.400 -0.349 0.000 0.943 909 E CB 0.130 29.658 29.700 -0.288 0.000 0.961 909 E HN 0.184 nan 8.360 nan 0.000 0.443 910 D N 1.661 121.978 120.400 -0.137 0.000 2.689 910 D HA -0.247 4.395 4.640 0.004 0.000 0.237 910 D C -0.904 175.488 176.300 0.153 0.000 1.148 910 D CA 0.974 54.998 54.000 0.040 0.000 0.656 910 D CB -1.491 39.327 40.800 0.030 0.000 1.050 910 D HN 0.711 nan 8.370 nan 0.000 0.426 911 H N -1.227 117.795 119.070 -0.081 0.000 2.756 911 H HA -0.273 4.285 4.556 0.004 0.000 0.315 911 H C 0.374 175.794 175.328 0.154 0.000 1.210 911 H CA 1.022 57.086 56.048 0.028 0.000 1.150 911 H CB -1.919 27.887 29.762 0.073 0.000 1.463 911 H HN 0.512 nan 8.280 nan 0.000 0.427 912 Y N -2.207 118.109 120.300 0.027 0.000 4.409 912 Y HA -0.349 4.203 4.550 0.003 0.000 0.228 912 Y C 1.941 177.900 175.900 0.097 0.000 1.108 912 Y CA 1.575 59.708 58.100 0.054 0.000 1.955 912 Y CB -1.514 36.985 38.460 0.066 0.000 1.615 912 Y HN 0.494 nan 8.280 nan 0.000 0.665 913 K N 0.825 121.315 120.400 0.151 0.000 2.020 913 K HA -0.257 4.065 4.320 0.004 0.000 0.212 913 K C 1.787 178.430 176.600 0.072 0.000 1.050 913 K CA 2.223 58.570 56.287 0.100 0.000 0.929 913 K CB -0.123 32.411 32.500 0.056 0.000 0.714 913 K HN 0.500 nan 8.250 nan 0.000 0.443 914 K N -0.717 119.717 120.400 0.057 0.000 2.155 914 K HA -0.171 4.151 4.320 0.004 0.000 0.203 914 K C 2.109 178.732 176.600 0.039 0.000 1.052 914 K CA 1.284 57.592 56.287 0.035 0.000 0.948 914 K CB -0.245 32.269 32.500 0.022 0.000 0.728 914 K HN 0.269 nan 8.250 nan 0.000 0.448 915 Y N 1.778 122.070 120.300 -0.014 0.000 2.145 915 Y HA -0.196 4.357 4.550 0.004 0.000 0.286 915 Y C 1.694 177.487 175.900 -0.178 0.000 1.145 915 Y CA 1.342 59.396 58.100 -0.077 0.000 1.148 915 Y CB -0.294 38.201 38.460 0.059 0.000 0.981 915 Y HN -0.095 nan 8.280 nan 0.000 0.507 916 L N 0.020 121.138 121.223 -0.175 0.000 2.046 916 L HA -0.222 4.120 4.340 0.004 0.000 0.208 916 L C 2.820 179.536 176.870 -0.256 0.000 1.077 916 L CA 1.239 55.918 54.840 -0.269 0.000 0.747 916 L CB -1.006 41.043 42.059 -0.017 0.000 0.896 916 L HN 0.390 nan 8.230 nan 0.000 0.432 917 A N -0.122 122.609 122.820 -0.148 0.000 1.898 917 A HA -0.228 4.094 4.320 0.004 0.000 0.216 917 A C 2.401 179.900 177.584 -0.142 0.000 1.181 917 A CA 1.777 53.751 52.037 -0.104 0.000 0.620 917 A CB -0.373 18.599 19.000 -0.046 0.000 0.819 917 A HN 0.301 nan 8.150 nan 0.000 0.442 918 K N -0.770 119.513 120.400 -0.194 0.000 2.057 918 K HA -0.112 4.210 4.320 0.004 0.000 0.206 918 K C 1.914 178.354 176.600 -0.266 0.000 1.050 918 K CA 1.391 57.583 56.287 -0.158 0.000 0.935 918 K CB -0.281 32.174 32.500 -0.075 0.000 0.715 918 K HN 0.323 nan 8.250 nan 0.000 0.439 919 L N 1.674 122.499 121.223 -0.663 0.000 2.042 919 L HA -0.157 4.185 4.340 0.004 0.000 0.210 919 L C 2.008 178.738 176.870 -0.232 0.000 1.076 919 L CA 1.705 56.126 54.840 -0.699 0.000 0.749 919 L CB -0.293 41.111 42.059 -1.093 0.000 0.893 919 L HN 0.090 nan 8.230 nan 0.000 0.432 920 R N -1.054 119.348 120.500 -0.164 0.000 2.280 920 R HA -0.037 4.305 4.340 0.004 0.000 0.207 920 R C 2.094 178.399 176.300 0.009 0.000 1.043 920 R CA 1.040 57.129 56.100 -0.018 0.000 1.006 920 R CB -0.168 30.114 30.300 -0.030 0.000 0.885 920 R HN 0.659 nan 8.270 nan 0.000 0.467 921 S N -0.176 115.519 115.700 -0.009 0.000 2.505 921 S HA 0.057 4.529 4.470 0.004 0.000 0.216 921 S C 0.828 175.457 174.600 0.049 0.000 1.018 921 S CA -0.566 57.646 58.200 0.020 0.000 0.911 921 S CB -0.143 63.063 63.200 0.009 0.000 0.818 921 S HN 0.166 nan 8.310 nan 0.000 0.497 922 I N 0.998 121.613 120.570 0.075 0.000 3.211 922 I HA 0.536 4.708 4.170 0.004 0.000 0.297 922 I C -0.114 176.059 176.117 0.093 0.000 1.095 922 I CA -0.971 60.388 61.300 0.098 0.000 1.239 922 I CB -0.155 37.940 38.000 0.159 0.000 1.455 922 I HN -0.004 nan 8.210 nan 0.000 0.630 923 N N 2.031 120.775 118.700 0.073 0.000 2.457 923 N HA 0.526 5.268 4.740 0.004 0.000 0.250 923 N C -2.595 172.946 175.510 0.052 0.000 0.982 923 N CA -1.984 51.101 53.050 0.059 0.000 0.941 923 N CB 0.436 38.946 38.487 0.038 0.000 1.120 923 N HN 0.444 nan 8.380 nan 0.000 0.505 924 P HA 0.129 nan 4.420 nan 0.000 0.271 924 P C -2.479 174.791 177.300 -0.050 0.000 1.238 924 P CA -0.671 62.453 63.100 0.040 0.000 0.794 924 P CB -0.134 31.636 31.700 0.116 0.000 0.959 925 P HA 0.065 nan 4.420 nan 0.000 0.272 925 P C -0.714 176.400 177.300 -0.310 0.000 1.223 925 P CA 0.070 62.953 63.100 -0.361 0.000 0.784 925 P CB 0.329 31.519 31.700 -0.850 0.000 0.923 926 C N -0.676 118.549 119.300 -0.124 0.000 3.318 926 C HA 0.692 5.155 4.460 0.004 0.000 0.322 926 C C -0.806 174.221 174.990 0.062 0.000 1.398 926 C CA -0.775 58.267 59.018 0.040 0.000 1.339 926 C CB 1.161 28.933 27.740 0.053 0.000 1.668 926 C HN 0.325 nan 8.230 nan 0.000 0.462 927 V N 2.433 122.371 119.914 0.040 0.000 2.357 927 V HA 0.448 4.570 4.120 0.004 0.000 0.281 927 V C -2.308 173.733 176.094 -0.088 0.000 1.015 927 V CA -0.984 61.245 62.300 -0.117 0.000 0.827 927 V CB 1.123 32.928 31.823 -0.029 0.000 1.018 927 V HN 0.820 nan 8.190 nan 0.000 0.432 928 P HA 0.153 nan 4.420 nan 0.000 0.272 928 P C -0.676 176.649 177.300 0.042 0.000 1.240 928 P CA -0.328 62.710 63.100 -0.104 0.000 0.791 928 P CB 0.495 32.038 31.700 -0.261 0.000 0.978 929 F N 1.967 121.869 119.950 -0.080 0.000 2.421 929 F HA 0.280 4.809 4.527 0.003 0.000 0.358 929 F C 0.595 176.268 175.800 -0.211 0.000 1.115 929 F CA -0.774 57.116 58.000 -0.184 0.000 1.160 929 F CB -0.104 38.596 39.000 -0.500 0.000 1.123 929 F HN 0.204 nan 8.300 nan 0.000 0.508 930 F N 4.313 123.923 119.950 -0.568 0.000 2.325 930 F HA 0.083 4.612 4.527 0.004 0.000 0.299 930 F C 2.220 177.522 175.800 -0.830 0.000 1.090 930 F CA 1.624 59.373 58.000 -0.420 0.000 1.392 930 F CB -0.549 38.355 39.000 -0.161 0.000 1.053 930 F HN 0.651 nan 8.300 nan 0.000 0.521 931 G N 0.934 108.846 108.800 -1.479 0.000 2.513 931 G HA2 -0.302 3.660 3.960 0.004 0.000 0.219 931 G HA3 -0.302 3.660 3.960 0.004 0.000 0.219 931 G C 1.718 176.269 174.900 -0.583 0.000 1.160 931 G CA 1.206 45.685 45.100 -1.035 0.000 0.767 931 G HN 0.251 nan 8.290 nan 0.000 0.571 932 I N 0.252 120.363 120.570 -0.765 0.000 2.151 932 I HA -0.169 4.003 4.170 0.004 0.000 0.243 932 I C 2.591 178.542 176.117 -0.276 0.000 1.080 932 I CA 0.838 61.855 61.300 -0.472 0.000 1.339 932 I CB -1.415 36.221 38.000 -0.606 0.000 1.039 932 I HN 0.191 nan 8.210 nan 0.000 0.409 933 Y N 0.880 121.037 120.300 -0.238 0.000 2.181 933 Y HA -0.164 4.388 4.550 0.004 0.000 0.288 933 Y C 2.620 178.467 175.900 -0.089 0.000 1.146 933 Y CA 0.876 58.872 58.100 -0.173 0.000 1.164 933 Y CB -1.171 37.093 38.460 -0.328 0.000 0.982 933 Y HN 0.090 nan 8.280 nan 0.000 0.515 934 L N -1.130 120.114 121.223 0.034 0.000 2.046 934 L HA -0.229 4.113 4.340 0.004 0.000 0.208 934 L C 2.295 179.326 176.870 0.268 0.000 1.077 934 L CA 1.851 56.665 54.840 -0.044 0.000 0.747 934 L CB -1.134 40.774 42.059 -0.252 0.000 0.896 934 L HN 0.174 nan 8.230 nan 0.000 0.432 935 T N -0.505 114.147 114.554 0.164 0.000 2.777 935 T HA -0.115 4.237 4.350 0.004 0.000 0.266 935 T C 1.747 176.544 174.700 0.162 0.000 1.040 935 T CA 1.286 63.493 62.100 0.179 0.000 1.141 935 T CB -0.218 68.724 68.868 0.123 0.000 0.868 935 T HN 0.277 nan 8.240 nan 0.000 0.444 936 N N 1.029 119.808 118.700 0.131 0.000 2.188 936 N HA 0.084 4.827 4.740 0.004 0.000 0.184 936 N C 1.849 177.440 175.510 0.135 0.000 1.018 936 N CA 0.761 53.882 53.050 0.118 0.000 0.858 936 N CB -0.310 38.242 38.487 0.108 0.000 0.989 936 N HN 0.391 nan 8.380 nan 0.000 0.426 937 I N 0.317 120.999 120.570 0.187 0.000 2.252 937 I HA -0.213 3.959 4.170 0.004 0.000 0.245 937 I C 2.150 178.396 176.117 0.216 0.000 1.102 937 I CA 0.536 61.960 61.300 0.207 0.000 1.385 937 I CB -0.136 38.035 38.000 0.285 0.000 1.064 937 I HN 0.057 nan 8.210 nan 0.000 0.414 938 L N 1.131 122.529 121.223 0.291 0.000 2.042 938 L HA -0.215 4.127 4.340 0.004 0.000 0.210 938 L C 2.354 179.269 176.870 0.075 0.000 1.076 938 L CA 1.958 56.888 54.840 0.149 0.000 0.749 938 L CB -0.575 41.577 42.059 0.156 0.000 0.893 938 L HN 0.064 nan 8.230 nan 0.000 0.432 939 K N -1.546 118.908 120.400 0.090 0.000 2.155 939 K HA -0.082 4.240 4.320 0.004 0.000 0.203 939 K C 1.872 178.495 176.600 0.039 0.000 1.052 939 K CA 1.593 57.913 56.287 0.056 0.000 0.948 939 K CB -0.223 32.314 32.500 0.062 0.000 0.728 939 K HN 0.369 nan 8.250 nan 0.000 0.448 940 T N 1.362 115.944 114.554 0.048 0.000 2.821 940 T HA -0.110 4.242 4.350 0.004 0.000 0.267 940 T C 1.493 176.201 174.700 0.012 0.000 1.046 940 T CA 1.211 63.327 62.100 0.026 0.000 1.139 940 T CB -0.054 68.830 68.868 0.027 0.000 0.871 940 T HN 0.305 nan 8.240 nan 0.000 0.454 941 E N 0.827 121.038 120.200 0.018 0.000 2.158 941 E HA -0.061 4.291 4.350 0.004 0.000 0.191 941 E C 2.141 178.734 176.600 -0.011 0.000 0.982 941 E CA 0.726 57.126 56.400 -0.001 0.000 0.823 941 E CB 0.004 29.701 29.700 -0.004 0.000 0.766 941 E HN 0.601 nan 8.360 nan 0.000 0.468 942 E N -0.036 120.159 120.200 -0.008 0.000 2.385 942 E HA -0.009 4.343 4.350 0.004 0.000 0.194 942 E C 1.659 178.255 176.600 -0.008 0.000 1.013 942 E CA 0.443 56.835 56.400 -0.014 0.000 0.866 942 E CB 0.338 30.029 29.700 -0.015 0.000 0.832 942 E HN 0.160 nan 8.360 nan 0.000 0.500 943 G N 0.714 109.513 108.800 -0.002 0.000 3.233 943 G HA2 0.038 4.000 3.960 0.004 0.000 0.234 943 G HA3 0.038 4.000 3.960 0.004 0.000 0.234 943 G C 0.251 175.147 174.900 -0.006 0.000 1.137 943 G CA -0.235 44.864 45.100 -0.002 0.000 0.763 943 G HN -0.027 nan 8.290 nan 0.000 0.549 944 N N 0.852 119.547 118.700 -0.009 0.000 2.260 944 N HA 0.342 5.084 4.740 0.004 0.000 0.293 944 N C -3.090 172.411 175.510 -0.014 0.000 1.058 944 N CA -0.894 52.148 53.050 -0.013 0.000 0.824 944 N CB 3.317 41.793 38.487 -0.017 0.000 1.551 944 N HN -0.073 nan 8.380 nan 0.000 0.475 945 P HA 0.207 nan 4.420 nan 0.000 0.277 945 P C 0.237 177.528 177.300 -0.013 0.000 1.240 945 P CA -0.141 62.951 63.100 -0.014 0.000 0.798 945 P CB 1.657 33.348 31.700 -0.016 0.000 0.979 946 E N 0.284 120.480 120.200 -0.007 0.000 2.152 946 E HA 0.001 4.354 4.350 0.004 0.000 0.192 946 E C 0.846 177.441 176.600 -0.009 0.000 0.983 946 E CA 1.083 57.484 56.400 0.002 0.000 0.818 946 E CB -0.055 29.654 29.700 0.016 0.000 0.758 946 E HN 0.429 nan 8.360 nan 0.000 0.467 947 V N -1.906 117.999 119.914 -0.015 0.000 2.962 947 V HA 0.552 4.674 4.120 0.004 0.000 0.313 947 V C -0.587 175.491 176.094 -0.028 0.000 1.099 947 V CA -1.097 61.187 62.300 -0.026 0.000 0.971 947 V CB 2.189 34.001 31.823 -0.020 0.000 1.028 947 V HN -0.101 nan 8.190 nan 0.000 0.430 948 L N 2.646 123.848 121.223 -0.035 0.000 2.329 948 L HA 0.643 4.985 4.340 0.004 0.000 0.279 948 L C -0.082 176.764 176.870 -0.040 0.000 1.014 948 L CA -0.710 54.108 54.840 -0.036 0.000 0.814 948 L CB 2.048 44.084 42.059 -0.038 0.000 1.257 948 L HN 0.690 nan 8.230 nan 0.000 0.424 949 K N 3.990 124.364 120.400 -0.043 0.000 2.185 949 K HA 0.596 4.918 4.320 0.004 0.000 0.269 949 K C -0.881 175.673 176.600 -0.077 0.000 0.987 949 K CA -0.931 55.328 56.287 -0.046 0.000 0.865 949 K CB 1.708 34.185 32.500 -0.038 0.000 1.090 949 K HN 0.355 nan 8.250 nan 0.000 0.450 950 R N 2.277 122.731 120.500 -0.077 0.000 2.502 950 R HA 0.187 4.529 4.340 0.004 0.000 0.298 950 R C -0.726 175.522 176.300 -0.087 0.000 1.018 950 R CA -0.714 55.290 56.100 -0.160 0.000 0.899 950 R CB 0.893 31.136 30.300 -0.097 0.000 1.181 950 R HN 0.788 nan 8.270 nan 0.000 0.444 951 H N 1.235 120.301 119.070 -0.007 0.000 2.692 951 H HA -0.220 4.338 4.556 0.004 0.000 0.316 951 H C 1.095 176.419 175.328 -0.007 0.000 1.176 951 H CA 1.371 57.416 56.048 -0.006 0.000 1.142 951 H CB -1.122 28.638 29.762 -0.005 0.000 1.475 951 H HN 1.133 nan 8.280 nan 0.000 0.423 952 G N -0.800 108.030 108.800 0.050 0.000 2.212 952 G HA2 -0.333 3.629 3.960 0.004 0.000 0.266 952 G HA3 -0.333 3.629 3.960 0.004 0.000 0.266 952 G C 0.317 175.232 174.900 0.024 0.000 0.978 952 G CA 0.759 45.879 45.100 0.033 0.000 0.632 952 G HN 0.384 nan 8.290 nan 0.000 0.537 953 K N 1.179 121.596 120.400 0.030 0.000 2.156 953 K HA 0.456 4.778 4.320 0.004 0.000 0.271 953 K C 0.079 176.677 176.600 -0.004 0.000 0.995 953 K CA -0.429 55.867 56.287 0.015 0.000 0.890 953 K CB 1.317 33.832 32.500 0.025 0.000 1.073 953 K HN 0.465 nan 8.250 nan 0.000 0.454 954 E N 3.434 123.629 120.200 -0.008 0.000 1.993 954 E HA 0.199 4.551 4.350 0.004 0.000 0.271 954 E C -0.328 176.255 176.600 -0.028 0.000 1.008 954 E CA -0.278 56.112 56.400 -0.017 0.000 0.814 954 E CB 0.541 30.235 29.700 -0.010 0.000 1.098 954 E HN 0.253 nan 8.360 nan 0.000 0.407 955 L N 3.450 124.649 121.223 -0.040 0.000 2.350 955 L HA 0.304 4.646 4.340 0.004 0.000 0.275 955 L C 0.407 177.228 176.870 -0.081 0.000 1.099 955 L CA -1.034 53.768 54.840 -0.062 0.000 0.808 955 L CB 0.669 42.689 42.059 -0.065 0.000 1.149 955 L HN 0.342 nan 8.230 nan 0.000 0.442 956 I N 2.479 122.970 120.570 -0.132 0.000 2.668 956 I HA -0.091 4.081 4.170 0.004 0.000 0.285 956 I C 0.580 176.621 176.117 -0.127 0.000 1.168 956 I CA 0.282 61.463 61.300 -0.199 0.000 1.424 956 I CB -0.244 37.469 38.000 -0.479 0.000 1.377 956 I HN 0.591 nan 8.210 nan 0.000 0.560 957 N N 5.775 124.426 118.700 -0.081 0.000 2.508 957 N HA -0.012 4.730 4.740 0.004 0.000 0.253 957 N C 0.486 175.995 175.510 -0.002 0.000 1.145 957 N CA 0.035 53.065 53.050 -0.033 0.000 0.973 957 N CB -0.113 38.356 38.487 -0.031 0.000 1.305 957 N HN 0.415 nan 8.380 nan 0.000 0.506 958 F N 2.486 122.342 119.950 -0.156 0.000 2.367 958 F HA -0.049 4.480 4.527 0.004 0.000 0.298 958 F C 2.352 178.099 175.800 -0.089 0.000 1.094 958 F CA 0.979 58.892 58.000 -0.145 0.000 1.409 958 F CB -0.149 38.767 39.000 -0.142 0.000 1.064 958 F HN 0.563 nan 8.300 nan 0.000 0.528 959 S N -0.284 115.391 115.700 -0.042 0.000 2.399 959 S HA -0.267 4.205 4.470 0.004 0.000 0.231 959 S C 2.185 176.696 174.600 -0.147 0.000 1.022 959 S CA 1.334 59.478 58.200 -0.093 0.000 0.983 959 S CB -0.708 62.479 63.200 -0.023 0.000 0.803 959 S HN 0.540 nan 8.310 nan 0.000 0.480 960 K N 0.957 121.283 120.400 -0.124 0.000 2.057 960 K HA -0.063 4.259 4.320 0.004 0.000 0.207 960 K C 2.315 178.816 176.600 -0.164 0.000 1.049 960 K CA 1.074 57.298 56.287 -0.106 0.000 0.931 960 K CB -0.100 32.362 32.500 -0.064 0.000 0.714 960 K HN 0.192 nan 8.250 nan 0.000 0.440 961 R N 0.540 120.878 120.500 -0.270 0.000 2.092 961 R HA -0.035 4.308 4.340 0.004 0.000 0.231 961 R C 2.328 178.374 176.300 -0.423 0.000 1.119 961 R CA 1.437 57.331 56.100 -0.343 0.000 0.970 961 R CB -0.417 29.616 30.300 -0.444 0.000 0.864 961 R HN 0.268 nan 8.270 nan 0.000 0.440 962 R N 1.043 121.209 120.500 -0.556 0.000 2.096 962 R HA -0.125 4.217 4.340 0.004 0.000 0.235 962 R C 1.540 177.720 176.300 -0.200 0.000 1.127 962 R CA 1.717 57.581 56.100 -0.394 0.000 0.968 962 R CB -0.021 30.087 30.300 -0.320 0.000 0.861 962 R HN 0.101 nan 8.270 nan 0.000 0.440 963 K N -0.240 120.067 120.400 -0.156 0.000 2.057 963 K HA -0.081 4.242 4.320 0.004 0.000 0.207 963 K C 1.997 178.557 176.600 -0.066 0.000 1.049 963 K CA 1.537 57.774 56.287 -0.084 0.000 0.931 963 K CB 0.012 32.477 32.500 -0.059 0.000 0.714 963 K HN 0.029 nan 8.250 nan 0.000 0.440 964 V N 1.153 121.020 119.914 -0.078 0.000 2.358 964 V HA -0.216 3.906 4.120 0.004 0.000 0.246 964 V C 2.223 178.283 176.094 -0.057 0.000 1.047 964 V CA 2.016 64.289 62.300 -0.045 0.000 1.035 964 V CB -0.546 31.254 31.823 -0.038 0.000 0.658 964 V HN 0.355 nan 8.190 nan 0.000 0.452 965 A N -0.773 121.992 122.820 -0.091 0.000 2.067 965 A HA -0.191 4.131 4.320 0.004 0.000 0.219 965 A C 2.151 179.694 177.584 -0.069 0.000 1.158 965 A CA 1.592 53.583 52.037 -0.077 0.000 0.661 965 A CB -0.377 18.563 19.000 -0.100 0.000 0.801 965 A HN 0.596 nan 8.150 nan 0.000 0.452 966 E N -0.250 119.909 120.200 -0.070 0.000 2.107 966 E HA -0.071 4.281 4.350 0.004 0.000 0.191 966 E C 1.735 178.298 176.600 -0.062 0.000 0.982 966 E CA 1.032 57.399 56.400 -0.055 0.000 0.809 966 E CB -0.146 29.529 29.700 -0.042 0.000 0.756 966 E HN 0.713 nan 8.360 nan 0.000 0.459 967 I N 0.511 121.045 120.570 -0.060 0.000 2.233 967 I HA -0.231 3.942 4.170 0.004 0.000 0.243 967 I C 2.600 178.598 176.117 -0.199 0.000 1.093 967 I CA 1.508 62.753 61.300 -0.091 0.000 1.380 967 I CB -0.581 37.402 38.000 -0.028 0.000 1.067 967 I HN 0.240 nan 8.210 nan 0.000 0.413 968 T N -1.107 113.366 114.554 -0.136 0.000 2.833 968 T HA -0.083 4.270 4.350 0.004 0.000 0.269 968 T C 1.983 176.594 174.700 -0.149 0.000 1.054 968 T CA 1.134 63.147 62.100 -0.144 0.000 1.135 968 T CB -1.078 67.755 68.868 -0.059 0.000 0.869 968 T HN 0.433 nan 8.240 nan 0.000 0.466 969 G N 1.143 109.874 108.800 -0.114 0.000 2.402 969 G HA2 -0.180 3.783 3.960 0.004 0.000 0.216 969 G HA3 -0.180 3.783 3.960 0.004 0.000 0.216 969 G C 1.433 176.246 174.900 -0.145 0.000 1.162 969 G CA 0.824 45.864 45.100 -0.101 0.000 0.777 969 G HN 0.671 nan 8.290 nan 0.000 0.539 970 E N 0.088 120.187 120.200 -0.169 0.000 2.077 970 E HA -0.088 4.264 4.350 0.004 0.000 0.193 970 E C 2.439 178.919 176.600 -0.199 0.000 0.989 970 E CA 0.622 56.914 56.400 -0.180 0.000 0.800 970 E CB -0.201 29.451 29.700 -0.079 0.000 0.746 970 E HN 0.507 nan 8.360 nan 0.000 0.452 971 I N 0.996 121.348 120.570 -0.364 0.000 2.163 971 I HA -0.326 3.846 4.170 0.004 0.000 0.243 971 I C 2.644 178.704 176.117 -0.095 0.000 1.085 971 I CA 1.470 62.565 61.300 -0.341 0.000 1.347 971 I CB -0.280 37.381 38.000 -0.564 0.000 1.044 971 I HN 0.212 nan 8.210 nan 0.000 0.408 972 Q N -0.047 119.670 119.800 -0.137 0.000 2.124 972 Q HA -0.259 4.083 4.340 0.004 0.000 0.202 972 Q C 2.248 178.212 176.000 -0.060 0.000 0.977 972 Q CA 1.169 56.917 55.803 -0.093 0.000 0.850 972 Q CB -0.255 28.424 28.738 -0.098 0.000 0.901 972 Q HN 0.475 nan 8.270 nan 0.000 0.429 973 Q N 0.231 119.954 119.800 -0.128 0.000 2.135 973 Q HA -0.186 4.157 4.340 0.004 0.000 0.204 973 Q C 1.198 177.112 176.000 -0.143 0.000 0.981 973 Q CA 1.543 57.230 55.803 -0.193 0.000 0.856 973 Q CB -0.001 28.524 28.738 -0.356 0.000 0.902 973 Q HN 0.499 nan 8.270 nan 0.000 0.425 974 Y N 0.458 120.818 120.300 0.101 0.000 2.546 974 Y HA 0.042 4.594 4.550 0.004 0.000 0.287 974 Y C 1.912 177.994 175.900 0.303 0.000 1.158 974 Y CA 0.550 58.753 58.100 0.173 0.000 1.307 974 Y CB 0.209 38.774 38.460 0.175 0.000 1.036 974 Y HN 0.219 nan 8.280 nan 0.000 0.532 975 Q N -0.521 119.491 119.800 0.352 0.000 2.425 975 Q HA -0.039 4.303 4.340 0.004 0.000 0.204 975 Q C 1.353 177.449 176.000 0.160 0.000 0.933 975 Q CA 0.121 56.078 55.803 0.257 0.000 0.939 975 Q CB 0.152 28.904 28.738 0.023 0.000 1.044 975 Q HN 0.453 nan 8.270 nan 0.000 0.513 976 N N 0.912 119.684 118.700 0.121 0.000 2.173 976 N HA -0.070 4.672 4.740 0.004 0.000 0.184 976 N C -0.007 175.561 175.510 0.096 0.000 1.025 976 N CA 0.801 53.903 53.050 0.087 0.000 0.852 976 N CB 0.133 38.646 38.487 0.044 0.000 0.998 976 N HN 0.242 nan 8.380 nan 0.000 0.427 977 Q N 2.105 121.960 119.800 0.091 0.000 2.296 977 Q HA 0.266 4.608 4.340 0.004 0.000 0.263 977 Q C -2.180 173.861 176.000 0.068 0.000 1.026 977 Q CA -1.152 54.689 55.803 0.064 0.000 0.912 977 Q CB 0.760 29.517 28.738 0.031 0.000 1.198 977 Q HN 0.279 nan 8.270 nan 0.000 0.407 978 P HA 0.102 nan 4.420 nan 0.000 0.284 978 P C -1.149 176.297 177.300 0.244 0.000 1.258 978 P CA -0.570 62.660 63.100 0.217 0.000 0.824 978 P CB 0.737 32.585 31.700 0.247 0.000 1.038 979 Y N 0.062 120.491 120.300 0.216 0.000 2.359 979 Y HA 0.094 4.646 4.550 0.004 0.000 0.330 979 Y C 1.278 177.127 175.900 -0.085 0.000 1.143 979 Y CA 0.124 58.272 58.100 0.081 0.000 1.318 979 Y CB 0.508 38.990 38.460 0.036 0.000 1.234 979 Y HN 0.382 nan 8.280 nan 0.000 0.522 980 C N 7.564 126.722 119.300 -0.237 0.000 2.484 980 C HA 0.595 5.058 4.460 0.004 0.000 0.494 980 C C -0.750 174.039 174.990 -0.335 0.000 1.052 980 C CA -0.653 57.859 59.018 -0.843 0.000 1.307 980 C CB -2.801 24.351 27.740 -0.980 0.000 1.464 980 C HN 0.652 nan 8.230 nan 0.000 0.564 981 L N 3.705 124.831 121.223 -0.161 0.000 2.422 981 L HA 0.566 4.908 4.340 0.004 0.000 0.264 981 L C -0.101 176.743 176.870 -0.043 0.000 0.984 981 L CA -0.730 54.060 54.840 -0.083 0.000 0.819 981 L CB 1.743 43.771 42.059 -0.050 0.000 1.330 981 L HN 0.377 nan 8.230 nan 0.000 0.410 982 R N 1.361 121.838 120.500 -0.039 0.000 2.357 982 R HA 0.523 4.865 4.340 0.004 0.000 0.296 982 R C -0.893 175.412 176.300 0.009 0.000 1.052 982 R CA -0.516 55.585 56.100 0.002 0.000 0.988 982 R CB 1.327 31.630 30.300 0.005 0.000 1.025 982 R HN 0.417 nan 8.270 nan 0.000 0.469 983 V N 3.638 123.577 119.914 0.042 0.000 2.686 983 V HA 0.083 4.205 4.120 0.004 0.000 0.295 983 V C 0.315 176.449 176.094 0.066 0.000 1.055 983 V CA 0.108 62.439 62.300 0.052 0.000 1.050 983 V CB 1.373 33.239 31.823 0.072 0.000 0.984 983 V HN 0.722 nan 8.190 nan 0.000 0.482 984 E N 2.506 122.751 120.200 0.075 0.000 2.207 984 E HA 0.309 4.661 4.350 0.004 0.000 0.250 984 E C 0.794 177.493 176.600 0.165 0.000 0.890 984 E CA -0.173 56.301 56.400 0.125 0.000 0.749 984 E CB 1.691 31.433 29.700 0.071 0.000 1.193 984 E HN 0.689 nan 8.360 nan 0.000 0.423 985 S N 3.249 119.046 115.700 0.162 0.000 2.372 985 S HA -0.196 4.276 4.470 0.004 0.000 0.227 985 S C 1.043 175.757 174.600 0.190 0.000 1.044 985 S CA 1.642 59.932 58.200 0.151 0.000 1.050 985 S CB 0.079 63.350 63.200 0.119 0.000 0.901 985 S HN 0.535 nan 8.310 nan 0.000 0.447 986 D N 0.919 121.472 120.400 0.256 0.000 2.117 986 D HA 0.022 4.664 4.640 0.004 0.000 0.198 986 D C 1.892 178.474 176.300 0.470 0.000 0.982 986 D CA 0.769 54.958 54.000 0.315 0.000 0.828 986 D CB -0.308 40.703 40.800 0.351 0.000 0.967 986 D HN 0.378 nan 8.370 nan 0.000 0.464 987 I N 0.934 121.789 120.570 0.476 0.000 2.252 987 I HA -0.218 3.954 4.170 0.004 0.000 0.245 987 I C 2.484 178.846 176.117 0.407 0.000 1.102 987 I CA 0.853 62.386 61.300 0.389 0.000 1.385 987 I CB -0.198 37.888 38.000 0.144 0.000 1.064 987 I HN -0.050 nan 8.210 nan 0.000 0.414 988 K N 1.429 122.012 120.400 0.306 0.000 2.032 988 K HA -0.263 4.059 4.320 0.004 0.000 0.209 988 K C 2.352 179.086 176.600 0.224 0.000 1.048 988 K CA 1.714 58.158 56.287 0.261 0.000 0.927 988 K CB -0.089 32.510 32.500 0.165 0.000 0.712 988 K HN 0.058 nan 8.250 nan 0.000 0.441 989 R N -0.282 120.332 120.500 0.189 0.000 2.081 989 R HA -0.150 4.192 4.340 0.004 0.000 0.235 989 R C 2.198 178.547 176.300 0.083 0.000 1.131 989 R CA 1.769 57.940 56.100 0.118 0.000 0.960 989 R CB -0.531 29.831 30.300 0.104 0.000 0.856 989 R HN 0.296 nan 8.270 nan 0.000 0.436 990 F N -0.072 119.866 119.950 -0.019 0.000 2.091 990 F HA -0.217 4.312 4.527 0.004 0.000 0.299 990 F C 1.439 177.030 175.800 -0.348 0.000 1.103 990 F CA 1.636 59.523 58.000 -0.188 0.000 1.228 990 F CB -0.326 38.559 39.000 -0.192 0.000 0.984 990 F HN -0.012 nan 8.300 nan 0.000 0.477 991 F N 0.701 120.601 119.950 -0.084 0.000 2.367 991 F HA -0.012 4.517 4.527 0.004 0.000 0.298 991 F C 2.322 178.017 175.800 -0.175 0.000 1.094 991 F CA 1.130 58.985 58.000 -0.242 0.000 1.409 991 F CB -0.808 38.173 39.000 -0.033 0.000 1.064 991 F HN 0.036 nan 8.300 nan 0.000 0.528 992 E N -0.040 120.193 120.200 0.054 0.000 2.150 992 E HA -0.151 4.201 4.350 0.004 0.000 0.193 992 E C 1.180 177.745 176.600 -0.057 0.000 0.985 992 E CA 0.986 57.404 56.400 0.030 0.000 0.814 992 E CB -0.165 29.555 29.700 0.034 0.000 0.752 992 E HN 0.320 nan 8.360 nan 0.000 0.466 993 N N 0.381 118.994 118.700 -0.145 0.000 2.336 993 N HA 0.062 4.804 4.740 0.004 0.000 0.189 993 N C 0.062 175.405 175.510 -0.279 0.000 1.113 993 N CA 0.126 53.070 53.050 -0.177 0.000 0.858 993 N CB 0.260 38.658 38.487 -0.149 0.000 0.970 993 N HN 0.110 nan 8.380 nan 0.000 0.471 994 L N 1.468 122.446 121.223 -0.409 0.000 2.540 994 L HA -0.043 4.299 4.340 0.004 0.000 0.276 994 L C 0.382 177.079 176.870 -0.288 0.000 1.212 994 L CA 0.450 54.987 54.840 -0.505 0.000 0.893 994 L CB 0.106 41.773 42.059 -0.654 0.000 1.138 994 L HN 0.065 nan 8.230 nan 0.000 0.491 995 N N 4.560 123.125 118.700 -0.224 0.000 2.725 995 N HA 0.271 5.013 4.740 0.004 0.000 0.248 995 N C -1.894 173.543 175.510 -0.121 0.000 1.402 995 N CA -1.270 51.687 53.050 -0.155 0.000 0.766 995 N CB 1.057 39.468 38.487 -0.128 0.000 1.223 995 N HN 0.119 nan 8.380 nan 0.000 0.515 996 P HA -0.091 nan 4.420 nan 0.000 0.216 996 P C 1.309 178.371 177.300 -0.396 0.000 1.150 996 P CA 1.225 64.298 63.100 -0.046 0.000 0.837 996 P CB 0.294 32.031 31.700 0.060 0.000 0.786 997 M N -1.768 117.452 119.600 -0.633 0.000 2.476 997 M HA 0.072 4.555 4.480 0.004 0.000 0.262 997 M C 1.393 177.501 176.300 -0.321 0.000 1.079 997 M CA 0.956 55.764 55.300 -0.821 0.000 1.104 997 M CB -0.799 31.434 32.600 -0.611 0.000 1.409 997 M HN 0.043 nan 8.290 nan 0.000 0.467 998 G N 1.479 110.165 108.800 -0.190 0.000 2.611 998 G HA2 -0.381 3.581 3.960 0.004 0.000 0.301 998 G HA3 -0.381 3.581 3.960 0.004 0.000 0.301 998 G C 0.201 175.053 174.900 -0.080 0.000 1.233 998 G CA 0.746 45.790 45.100 -0.094 0.000 0.993 998 G HN 0.600 nan 8.290 nan 0.000 0.553 999 N N 0.754 119.426 118.700 -0.047 0.000 2.270 999 N HA 0.354 5.096 4.740 0.004 0.000 0.198 999 N C 0.282 175.783 175.510 -0.016 0.000 1.117 999 N CA 0.278 53.310 53.050 -0.030 0.000 0.845 999 N CB 0.429 38.906 38.487 -0.018 0.000 0.980 999 N HN 0.375 nan 8.380 nan 0.000 0.486 1000 S N 1.009 116.702 115.700 -0.011 0.000 2.592 1000 S HA 0.253 4.725 4.470 0.004 0.000 0.271 1000 S C 0.361 174.984 174.600 0.039 0.000 1.326 1000 S CA -0.391 57.830 58.200 0.036 0.000 1.024 1000 S CB 0.831 64.096 63.200 0.108 0.000 0.921 1000 S HN 0.097 nan 8.310 nan 0.000 0.527 1001 M N 2.011 121.650 119.600 0.064 0.000 2.228 1001 M HA 0.202 4.684 4.480 0.004 0.000 0.326 1001 M C 1.710 178.080 176.300 0.117 0.000 1.122 1001 M CA -0.281 55.058 55.300 0.065 0.000 1.161 1001 M CB -0.093 32.541 32.600 0.057 0.000 1.437 1001 M HN 0.910 nan 8.290 nan 0.000 0.465 1002 E N 1.890 122.153 120.200 0.105 0.000 2.048 1002 E HA -0.273 4.079 4.350 0.004 0.000 0.202 1002 E C 1.709 178.418 176.600 0.182 0.000 1.021 1002 E CA 2.353 58.844 56.400 0.151 0.000 0.825 1002 E CB 0.032 29.795 29.700 0.104 0.000 0.756 1002 E HN 0.610 nan 8.360 nan 0.000 0.454 1003 K N 0.160 120.633 120.400 0.121 0.000 2.044 1003 K HA -0.263 4.059 4.320 0.004 0.000 0.210 1003 K C 2.025 178.699 176.600 0.122 0.000 1.049 1003 K CA 2.080 58.428 56.287 0.102 0.000 0.927 1003 K CB -0.060 32.480 32.500 0.068 0.000 0.713 1003 K HN 0.055 nan 8.250 nan 0.000 0.443 1004 E N -0.036 120.244 120.200 0.134 0.000 2.077 1004 E HA -0.165 4.187 4.350 0.004 0.000 0.193 1004 E C 1.632 178.356 176.600 0.206 0.000 0.989 1004 E CA 1.358 57.844 56.400 0.144 0.000 0.800 1004 E CB -0.308 29.465 29.700 0.121 0.000 0.746 1004 E HN 0.372 nan 8.360 nan 0.000 0.452 1005 F N 0.893 120.911 119.950 0.113 0.000 2.146 1005 F HA -0.164 4.365 4.527 0.003 0.000 0.298 1005 F C 2.250 178.181 175.800 0.218 0.000 1.096 1005 F CA 1.469 59.570 58.000 0.169 0.000 1.275 1005 F CB -0.573 38.501 39.000 0.123 0.000 1.008 1005 F HN -0.081 nan 8.300 nan 0.000 0.480 1006 T N 0.033 114.666 114.554 0.132 0.000 2.788 1006 T HA -0.169 4.183 4.350 0.004 0.000 0.268 1006 T C 1.467 176.177 174.700 0.018 0.000 1.044 1006 T CA 1.760 63.886 62.100 0.043 0.000 1.139 1006 T CB -0.325 68.614 68.868 0.118 0.000 0.867 1006 T HN 0.252 nan 8.240 nan 0.000 0.454 1007 D N -0.226 120.215 120.400 0.068 0.000 2.149 1007 D HA -0.041 4.601 4.640 0.004 0.000 0.201 1007 D C 1.640 177.999 176.300 0.098 0.000 0.972 1007 D CA 0.702 54.760 54.000 0.095 0.000 0.835 1007 D CB -0.346 40.513 40.800 0.097 0.000 0.966 1007 D HN 0.464 nan 8.370 nan 0.000 0.476 1008 Y N 1.802 122.062 120.300 -0.068 0.000 2.145 1008 Y HA -0.167 4.385 4.550 0.003 0.000 0.286 1008 Y C 2.098 177.903 175.900 -0.158 0.000 1.145 1008 Y CA 1.317 59.352 58.100 -0.108 0.000 1.148 1008 Y CB -0.556 37.817 38.460 -0.146 0.000 0.981 1008 Y HN -0.106 nan 8.280 nan 0.000 0.507 1009 L N -1.229 119.708 121.223 -0.477 0.000 2.042 1009 L HA -0.226 4.116 4.340 0.004 0.000 0.210 1009 L C 2.383 179.089 176.870 -0.274 0.000 1.076 1009 L CA 1.745 56.284 54.840 -0.503 0.000 0.749 1009 L CB -0.837 41.016 42.059 -0.343 0.000 0.893 1009 L HN 0.279 nan 8.230 nan 0.000 0.432 1010 F N 1.295 121.107 119.950 -0.231 0.000 2.146 1010 F HA -0.172 4.357 4.527 0.003 0.000 0.298 1010 F C 2.428 178.141 175.800 -0.145 0.000 1.096 1010 F CA 1.414 59.330 58.000 -0.140 0.000 1.275 1010 F CB -0.288 38.666 39.000 -0.076 0.000 1.008 1010 F HN 0.105 nan 8.300 nan 0.000 0.480 1011 N N 0.439 119.063 118.700 -0.126 0.000 2.223 1011 N HA -0.155 4.587 4.740 0.004 0.000 0.185 1011 N C 1.874 177.214 175.510 -0.283 0.000 1.016 1011 N CA 0.844 53.791 53.050 -0.173 0.000 0.863 1011 N CB -0.334 38.129 38.487 -0.039 0.000 0.983 1011 N HN 0.208 nan 8.380 nan 0.000 0.429 1012 K N 0.808 120.966 120.400 -0.404 0.000 2.097 1012 K HA 0.000 4.322 4.320 0.004 0.000 0.206 1012 K C 2.087 178.476 176.600 -0.351 0.000 1.049 1012 K CA 0.467 56.503 56.287 -0.417 0.000 0.933 1012 K CB -0.502 31.639 32.500 -0.597 0.000 0.717 1012 K HN 0.091 nan 8.250 nan 0.000 0.442 1013 S N 0.907 116.380 115.700 -0.378 0.000 2.368 1013 S HA -0.058 4.414 4.470 0.004 0.000 0.225 1013 S C 2.041 176.435 174.600 -0.343 0.000 1.030 1013 S CA 0.805 58.796 58.200 -0.347 0.000 0.999 1013 S CB -0.084 62.887 63.200 -0.382 0.000 0.844 1013 S HN 0.236 nan 8.310 nan 0.000 0.459 1014 L N 1.118 122.086 121.223 -0.425 0.000 2.093 1014 L HA -0.057 4.285 4.340 0.004 0.000 0.208 1014 L C 2.755 179.529 176.870 -0.160 0.000 1.085 1014 L CA 1.771 56.431 54.840 -0.300 0.000 0.755 1014 L CB -0.605 41.274 42.059 -0.300 0.000 0.904 1014 L HN 0.521 nan 8.230 nan 0.000 0.435 1015 E N 1.519 121.625 120.200 -0.157 0.000 2.028 1015 E HA -0.240 4.112 4.350 0.004 0.000 0.191 1015 E C 2.277 178.856 176.600 -0.034 0.000 0.988 1015 E CA 1.710 58.071 56.400 -0.064 0.000 0.799 1015 E CB -0.150 29.502 29.700 -0.081 0.000 0.755 1015 E HN 0.622 nan 8.360 nan 0.000 0.447 1016 I N -1.773 118.667 120.570 -0.216 0.000 2.493 1016 I HA -0.003 4.170 4.170 0.004 0.000 0.254 1016 I C 0.224 176.297 176.117 -0.073 0.000 1.160 1016 I CA 1.089 62.205 61.300 -0.307 0.000 1.445 1016 I CB -0.050 37.680 38.000 -0.449 0.000 1.086 1016 I HN -0.060 nan 8.210 nan 0.000 0.433 1017 E N 1.953 122.113 120.200 -0.068 0.000 2.768 1017 E HA 0.390 4.742 4.350 0.004 0.000 0.290 1017 E C -2.532 174.057 176.600 -0.017 0.000 1.100 1017 E CA -1.947 54.445 56.400 -0.014 0.000 0.768 1017 E CB 1.426 31.144 29.700 0.030 0.000 1.501 1017 E HN 0.155 nan 8.360 nan 0.000 0.384 1018 P HA -0.033 nan 4.420 nan 0.000 0.268 1018 P C -0.243 177.063 177.300 0.010 0.000 1.208 1018 P CA 0.062 63.156 63.100 -0.010 0.000 0.777 1018 P CB 0.612 32.312 31.700 0.002 0.000 0.875 1019 R N 2.066 122.568 120.500 0.004 0.000 2.643 1019 R HA 0.129 4.471 4.340 0.004 0.000 0.270 1019 R C 0.525 176.845 176.300 0.033 0.000 1.061 1019 R CA -0.198 55.917 56.100 0.024 0.000 1.107 1019 R CB -0.004 30.313 30.300 0.029 0.000 0.999 1019 R HN 0.512 nan 8.270 nan 0.000 0.460 1020 N N 3.265 121.990 118.700 0.041 0.000 2.441 1020 N HA 0.015 4.757 4.740 0.004 0.000 0.251 1020 N C -1.496 174.031 175.510 0.028 0.000 1.242 1020 N CA -0.582 52.491 53.050 0.039 0.000 0.898 1020 N CB 0.509 39.018 38.487 0.037 0.000 1.100 1020 N HN 0.472 nan 8.380 nan 0.000 0.443 1021 P HA 0.105 nan 4.420 nan 0.000 0.258 1021 P C -0.450 176.861 177.300 0.018 0.000 1.416 1021 P CA 0.044 63.158 63.100 0.023 0.000 0.927 1021 P CB 0.372 32.081 31.700 0.017 0.000 1.444 1022 K N 1.649 122.058 120.400 0.017 0.000 2.485 1022 K HA 0.171 4.493 4.320 0.004 0.000 0.277 1022 K C -2.270 174.333 176.600 0.004 0.000 0.990 1022 K CA -1.183 55.108 56.287 0.007 0.000 0.994 1022 K CB -0.435 32.069 32.500 0.005 0.000 0.906 1022 K HN 0.157 nan 8.250 nan 0.000 0.488 1023 P HA 0.091 nan 4.420 nan 0.000 0.277 1023 P C -0.678 176.592 177.300 -0.050 0.000 1.240 1023 P CA -0.727 62.357 63.100 -0.026 0.000 0.798 1023 P CB 0.445 32.125 31.700 -0.033 0.000 0.979 1024 L N 4.836 126.003 121.223 -0.093 0.000 2.361 1024 L HA 0.345 4.687 4.340 0.004 0.000 0.278 1024 L C -1.957 174.847 176.870 -0.110 0.000 1.113 1024 L CA -1.397 53.360 54.840 -0.138 0.000 0.849 1024 L CB -0.476 41.387 42.059 -0.327 0.000 1.155 1024 L HN 0.332 nan 8.230 nan 0.000 0.452 1025 P HA 0.372 nan 4.420 nan 0.000 0.282 1025 P C -1.151 176.001 177.300 -0.248 0.000 1.287 1025 P CA -0.663 62.311 63.100 -0.210 0.000 0.792 1025 P CB 0.915 32.423 31.700 -0.320 0.000 1.163 1026 R N -0.492 119.761 120.500 -0.412 0.000 2.732 1026 R HA 0.690 5.032 4.340 0.004 0.000 0.278 1026 R C -0.720 175.228 176.300 -0.587 0.000 0.976 1026 R CA -0.461 55.467 56.100 -0.287 0.000 0.963 1026 R CB 1.087 31.281 30.300 -0.176 0.000 1.150 1026 R HN 0.391 nan 8.270 nan 0.000 0.478 1027 F N 1.126 121.036 119.950 -0.067 0.000 2.599 1027 F HA 0.421 4.950 4.527 0.003 0.000 0.311 1027 F C -1.909 173.850 175.800 -0.067 0.000 1.076 1027 F CA -2.228 55.732 58.000 -0.067 0.000 0.937 1027 F CB 1.724 40.679 39.000 -0.073 0.000 1.282 1027 F HN 0.339 nan 8.300 nan 0.000 0.460 1028 P HA 0.191 nan 4.420 nan 0.000 0.274 1028 P C -1.045 176.255 177.300 0.000 0.000 1.231 1028 P CA -0.505 62.610 63.100 0.026 0.000 0.790 1028 P CB 1.103 32.805 31.700 0.003 0.000 0.951 1029 K N 1.041 121.421 120.400 -0.034 0.000 2.276 1029 K HA 0.034 4.356 4.320 0.004 0.000 0.259 1029 K C 1.288 177.797 176.600 -0.152 0.000 1.001 1029 K CA 0.071 56.310 56.287 -0.080 0.000 0.927 1029 K CB 0.451 32.917 32.500 -0.056 0.000 0.969 1029 K HN 0.485 nan 8.250 nan 0.000 0.490 1030 K N -0.386 119.830 120.400 -0.305 0.000 2.502 1030 K HA 0.103 4.425 4.320 0.004 0.000 0.211 1030 K C -0.500 175.804 176.600 -0.492 0.000 1.259 1030 K CA -0.125 55.918 56.287 -0.407 0.000 0.983 1030 K CB 0.301 32.479 32.500 -0.537 0.000 1.054 1030 K HN 0.256 nan 8.250 nan 0.000 0.572 1031 Y N 2.255 122.425 120.300 -0.218 0.000 2.320 1031 Y HA 0.218 4.771 4.550 0.004 0.000 0.334 1031 Y C 1.207 176.847 175.900 -0.434 0.000 1.055 1031 Y CA -1.027 56.790 58.100 -0.472 0.000 1.143 1031 Y CB 1.950 40.046 38.460 -0.607 0.000 1.193 1031 Y HN 0.169 nan 8.280 nan 0.000 0.477 1032 S N 1.078 116.588 115.700 -0.315 0.000 2.556 1032 S HA 0.118 4.590 4.470 0.004 0.000 0.216 1032 S C -0.200 174.361 174.600 -0.066 0.000 0.970 1032 S CA -0.255 57.864 58.200 -0.135 0.000 0.912 1032 S CB -0.669 62.511 63.200 -0.034 0.000 0.790 1032 S HN 0.519 nan 8.310 nan 0.000 0.504 1033 Y N 0.805 121.153 120.300 0.079 0.000 2.534 1033 Y HA 0.821 5.373 4.550 0.004 0.000 0.329 1033 Y C -2.817 173.095 175.900 0.020 0.000 1.154 1033 Y CA -3.936 54.179 58.100 0.025 0.000 1.192 1033 Y CB -0.624 37.832 38.460 -0.006 0.000 1.275 1033 Y HN -0.167 nan 8.280 nan 0.000 0.491 1034 P HA 0.101 nan 4.420 nan 0.000 0.268 1034 P C 0.036 177.453 177.300 0.194 0.000 1.204 1034 P CA 0.052 63.240 63.100 0.148 0.000 0.768 1034 P CB 1.327 33.085 31.700 0.097 0.000 0.842 1035 L N 0.841 122.132 121.223 0.112 0.000 2.592 1035 L HA 0.141 4.484 4.340 0.004 0.000 0.227 1035 L C 1.431 178.331 176.870 0.050 0.000 1.127 1035 L CA 0.025 54.912 54.840 0.078 0.000 0.884 1035 L CB -0.389 41.688 42.059 0.028 0.000 1.065 1035 L HN 0.414 nan 8.230 nan 0.000 0.457 1036 K N 1.554 121.987 120.400 0.056 0.000 2.451 1036 K HA 0.030 4.352 4.320 0.004 0.000 0.280 1036 K C 0.396 176.996 176.600 0.000 0.000 1.020 1036 K CA -0.002 56.298 56.287 0.022 0.000 1.008 1036 K CB 0.776 33.292 32.500 0.027 0.000 0.917 1036 K HN -0.067 nan 8.250 nan 0.000 0.478 1037 S N 4.423 120.080 115.700 -0.072 0.000 2.565 1037 S HA 0.211 4.683 4.470 0.004 0.000 0.276 1037 S C -1.355 173.102 174.600 -0.237 0.000 1.326 1037 S CA -1.406 56.682 58.200 -0.186 0.000 1.045 1037 S CB 0.816 63.912 63.200 -0.173 0.000 0.918 1037 S HN 0.639 nan 8.310 nan 0.000 0.505 1038 P HA 0.224 nan 4.420 nan 0.000 0.245 1038 P C 0.748 177.924 177.300 -0.207 0.000 1.212 1038 P CA 0.617 63.506 63.100 -0.351 0.000 0.774 1038 P CB -0.745 30.576 31.700 -0.631 0.000 0.999 1039 G N 0.252 108.927 108.800 -0.209 0.000 2.757 1039 G HA2 -0.152 3.810 3.960 0.004 0.000 0.638 1039 G HA3 -0.152 3.810 3.960 0.004 0.000 0.638 1039 G C 0.221 175.094 174.900 -0.045 0.000 1.344 1039 G CA -0.337 44.702 45.100 -0.102 0.000 0.855 1039 G HN 0.242 nan 8.290 nan 0.000 0.537 1040 V N -2.975 116.924 119.914 -0.024 0.000 3.427 1040 V HA 0.492 4.615 4.120 0.004 0.000 0.305 1040 V C 0.805 176.895 176.094 -0.007 0.000 1.412 1040 V CA 0.258 62.555 62.300 -0.005 0.000 1.086 1040 V CB 0.213 32.010 31.823 -0.044 0.000 0.964 1040 V HN 0.655 nan 8.190 nan 0.000 0.439 1041 R N 3.257 123.756 120.500 -0.002 0.000 2.254 1041 R HA 0.476 4.818 4.340 0.004 0.000 0.318 1041 R C -2.547 173.741 176.300 -0.020 0.000 1.031 1041 R CA -1.805 54.286 56.100 -0.014 0.000 0.905 1041 R CB 0.754 31.048 30.300 -0.010 0.000 1.050 1041 R HN 0.345 nan 8.270 nan 0.000 0.456 1042 P HA 0.097 nan 4.420 nan 0.000 0.271 1042 P C -0.508 176.761 177.300 -0.052 0.000 1.218 1042 P CA -0.190 62.862 63.100 -0.079 0.000 0.780 1042 P CB 0.856 32.504 31.700 -0.086 0.000 0.901 1043 S N 1.261 116.925 115.700 -0.060 0.000 2.608 1043 S HA 0.336 4.809 4.470 0.004 0.000 0.291 1043 S C 0.007 174.590 174.600 -0.028 0.000 1.146 1043 S CA -0.624 57.559 58.200 -0.028 0.000 1.043 1043 S CB 0.497 63.691 63.200 -0.010 0.000 1.037 1043 S HN 0.516 nan 8.310 nan 0.000 0.520 1044 N N 2.186 120.878 118.700 -0.013 0.000 2.609 1044 N HA 0.535 5.277 4.740 0.004 0.000 0.268 1044 N C -2.935 172.575 175.510 0.000 0.000 1.106 1044 N CA -0.849 52.195 53.050 -0.010 0.000 0.823 1044 N CB 0.696 39.176 38.487 -0.012 0.000 1.263 1044 N HN 0.392 nan 8.380 nan 0.000 0.533 1045 P HA 0.583 nan 4.420 nan 0.000 0.345 1045 P C -1.728 175.582 177.300 0.017 0.000 1.403 1045 P CA -0.669 62.439 63.100 0.014 0.000 1.348 1045 P CB 2.150 33.862 31.700 0.020 0.000 2.287 1046 R N 0.000 120.512 120.500 0.020 0.000 2.786 1046 R HA 0.000 4.342 4.340 0.004 0.000 0.208 1046 R CA 0.000 56.115 56.100 0.024 0.000 0.921 1046 R CB 0.000 30.311 30.300 0.019 0.000 0.687 1046 R HN 0.000 nan 8.270 nan 0.000 0.535