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 3krl_1_A DATA FIRST_RESID 545 DATA SEQUENCE KYQVRWKIIX XXXXXXXXXX XXXXXPYNEK WEFPRNNLQF GKTLGAGAFG DATA SEQUENCE KVVEATAFGL GKEDAVLKVA VKMLKSTAXA DEKEALMSEL KIMSHLGQHE DATA SEQUENCE NIVNLLGACT HGGPVLVITE YCCYGDLLNF LRRKRXXXXX XXXXXXXXXX DATA SEQUENCE XQLSSXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXRD LLHFSSQVAQ GMAFLASKNC IHRDVAARNV LLTNGHVAKI DATA SEQUENCE GDFGLARDIM NDSNYIVKGX ARLPVKWMAP ESIFDCVYTV QSDVWSYGIL DATA SEQUENCE LWEIFSLGLN PYPGILVNSK FYKLVKDGYQ MAQPAFAPKN IYSIMQACWA DATA SEQUENCE LEPTHRPTFQ QICSFLQE 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 545 K HA 0.000 4.610 4.320 0.483 0.000 0.191 545 K C 0.000 176.245 176.600 -0.592 0.000 0.988 545 K CA 0.000 56.347 56.287 0.101 0.000 0.838 545 K CB 0.000 32.516 32.500 0.026 0.000 1.064 546 Y N 2.560 122.487 120.300 -0.621 0.000 2.397 546 Y HA -0.181 3.790 4.550 -0.965 0.000 0.335 546 Y C -1.287 174.416 175.900 -0.328 0.000 1.213 546 Y CA 1.036 58.766 58.100 -0.617 0.000 1.391 546 Y CB 1.089 39.419 38.460 -0.216 0.000 1.293 546 Y HN -0.443 8.257 8.280 0.093 -0.364 0.557 547 Q N 3.672 122.723 119.800 -1.248 0.000 2.599 547 Q HA 0.181 3.900 4.340 -1.035 0.000 0.248 547 Q C -2.771 172.727 176.000 -0.838 0.000 0.964 547 Q CA -0.887 54.332 55.803 -0.973 0.000 1.011 547 Q CB 2.086 30.536 28.738 -0.481 0.000 1.592 547 Q HN -0.271 7.202 8.270 -1.327 0.000 0.443 548 V N -0.240 119.257 119.914 -0.695 0.000 3.295 548 V HA 0.178 4.083 4.120 -0.359 0.000 0.308 548 V C -0.419 175.527 176.094 -0.246 0.000 1.068 548 V CA -1.390 60.666 62.300 -0.407 0.000 1.062 548 V CB 1.499 33.076 31.823 -0.410 0.000 1.162 548 V HN 0.233 7.998 8.190 -0.708 0.000 0.456 549 R N -2.830 117.612 120.500 -0.096 0.000 2.565 549 R HA 0.366 4.637 4.340 -0.114 0.000 0.347 549 R C 0.028 176.359 176.300 0.050 0.000 1.010 549 R CA -0.636 55.428 56.100 -0.061 0.000 1.126 549 R CB 0.371 30.611 30.300 -0.099 0.000 1.331 549 R HN -0.170 8.237 8.270 -0.029 -0.155 0.552 550 W N 1.376 122.522 121.300 -0.257 0.000 2.489 550 W HA 0.180 4.934 4.660 -0.209 -0.219 0.327 550 W C 0.616 177.050 176.519 -0.141 0.000 1.436 550 W CA -0.734 56.486 57.345 -0.210 0.000 1.315 550 W CB -1.103 28.230 29.460 -0.212 0.000 1.373 550 W HN -0.359 8.027 8.180 0.343 0.000 0.557 551 K N 3.806 124.231 120.400 0.041 0.000 2.292 551 K HA 0.340 4.674 4.320 0.023 0.000 0.257 551 K C -1.366 175.249 176.600 0.024 0.000 0.940 551 K CA -1.403 54.892 56.287 0.013 0.000 0.811 551 K CB 3.317 35.797 32.500 -0.034 0.000 1.120 551 K HN -0.139 8.102 8.250 -0.016 0.000 0.428 552 I N 3.656 124.249 120.570 0.038 0.000 2.353 552 I HA 0.446 4.800 4.170 0.045 -0.158 0.293 552 I C 0.842 176.975 176.117 0.027 0.000 0.992 552 I CA -1.447 59.879 61.300 0.045 0.000 1.268 552 I CB -0.091 37.950 38.000 0.068 0.000 1.387 552 I HN 0.295 8.527 8.210 0.036 0.000 0.478 571 Y N 1.684 122.025 120.300 0.068 0.000 2.316 571 Y HA 0.087 4.705 4.550 0.113 0.000 0.331 571 Y C -0.639 175.348 175.900 0.145 0.000 1.083 571 Y CA -0.349 57.813 58.100 0.103 0.000 1.206 571 Y CB 1.339 39.845 38.460 0.076 0.000 1.195 571 Y HN -0.104 8.357 8.280 0.301 0.000 0.497 572 N N 7.296 125.832 118.700 -0.273 0.000 2.414 572 N HA -0.040 4.593 4.740 -0.177 0.000 0.256 572 N C 0.176 175.304 175.510 -0.637 0.000 1.029 572 N CA -0.240 52.644 53.050 -0.277 0.000 0.948 572 N CB 1.216 39.681 38.487 -0.037 0.000 1.102 572 N HN 0.087 8.394 8.380 -0.121 0.000 0.496 573 E N 6.803 126.759 120.200 -0.407 0.000 2.472 573 E HA -0.251 3.873 4.350 -0.377 0.000 0.200 573 E C 1.009 177.529 176.600 -0.132 0.000 1.046 573 E CA 1.777 58.025 56.400 -0.253 0.000 0.871 573 E CB -0.192 29.507 29.700 -0.002 0.000 0.806 573 E HN 0.755 8.973 8.360 -0.236 0.000 0.533 574 K N -1.205 119.069 120.400 -0.210 0.000 2.362 574 K HA -0.197 4.038 4.320 -0.141 0.000 0.200 574 K C 1.267 177.735 176.600 -0.221 0.000 1.046 574 K CA 2.170 58.319 56.287 -0.230 0.000 0.952 574 K CB -0.862 31.429 32.500 -0.348 0.000 0.753 574 K HN -0.628 7.627 8.250 -0.252 -0.156 0.466 575 W N -2.938 118.327 121.300 -0.059 0.000 2.658 575 W HA -0.046 4.661 4.660 0.077 0.000 0.263 575 W C -0.203 176.436 176.519 0.199 0.000 1.274 575 W CA 0.110 57.499 57.345 0.074 0.000 1.343 575 W CB 0.386 29.920 29.460 0.123 0.000 1.106 575 W HN -0.603 7.509 8.180 -0.042 0.043 0.615 576 E N -0.226 120.222 120.200 0.412 0.000 2.508 576 E HA -0.211 4.586 4.350 0.480 -0.159 0.266 576 E C -0.405 176.435 176.600 0.399 0.000 1.010 576 E CA 1.168 57.817 56.400 0.415 0.000 0.955 576 E CB 0.685 30.591 29.700 0.344 0.000 0.946 576 E HN -0.814 7.575 8.360 0.291 0.146 0.454 577 F N 3.487 123.551 119.950 0.190 0.000 2.615 577 F HA 0.361 4.966 4.527 0.130 0.000 0.312 577 F C -3.092 172.784 175.800 0.125 0.000 1.119 577 F CA -2.359 55.728 58.000 0.145 0.000 0.979 577 F CB 3.639 42.727 39.000 0.147 0.000 1.266 577 F HN -0.214 8.325 8.300 0.399 0.000 0.444 578 P HA 0.322 4.687 4.420 -0.091 0.000 0.271 578 P C -0.361 176.853 177.300 -0.143 0.000 1.226 578 P CA -0.058 62.876 63.100 -0.277 0.000 0.765 578 P CB 0.302 31.796 31.700 -0.342 0.000 0.835 579 R N 4.770 125.301 120.500 0.052 0.000 2.280 579 R HA -0.346 4.143 4.340 0.249 0.000 0.207 579 R C 0.387 176.726 176.300 0.066 0.000 1.043 579 R CA 2.551 58.727 56.100 0.126 0.000 1.006 579 R CB -0.549 29.800 30.300 0.082 0.000 0.885 579 R HN 0.459 8.759 8.270 0.050 0.000 0.467 580 N N -2.045 116.656 118.700 0.002 0.000 2.512 580 N HA -0.133 4.606 4.740 -0.001 0.000 0.183 580 N C 0.000 175.536 175.510 0.043 0.000 1.073 580 N CA 1.487 54.535 53.050 -0.003 0.000 0.911 580 N CB -0.701 37.765 38.487 -0.035 0.000 0.964 580 N HN 0.301 8.621 8.380 -0.030 0.041 0.447 581 N N -0.576 118.159 118.700 0.058 0.000 2.279 581 N HA 0.112 5.011 4.740 0.265 0.000 0.226 581 N C -2.406 173.398 175.510 0.489 0.000 1.126 581 N CA -0.358 52.830 53.050 0.229 0.000 0.846 581 N CB 0.113 38.615 38.487 0.025 0.000 1.050 581 N HN -0.505 7.715 8.380 -0.025 0.145 0.502 582 L N 0.163 121.613 121.223 0.378 0.000 2.342 582 L HA 0.440 5.124 4.340 0.363 -0.126 0.276 582 L C -1.636 175.405 176.870 0.286 0.000 0.997 582 L CA -0.673 54.389 54.840 0.369 0.000 0.838 582 L CB 2.296 44.592 42.059 0.395 0.000 1.224 582 L HN -0.785 7.443 8.230 0.264 0.160 0.416 583 Q N 6.951 126.924 119.800 0.288 0.000 2.425 583 Q HA 0.272 4.742 4.340 0.216 0.000 0.254 583 Q C -1.082 175.099 176.000 0.302 0.000 1.032 583 Q CA -1.978 53.984 55.803 0.265 0.000 0.798 583 Q CB 0.580 29.506 28.738 0.314 0.000 1.210 583 Q HN 0.075 8.484 8.270 0.231 0.000 0.491 584 F N 6.196 126.157 119.950 0.019 0.000 2.586 584 F HA -0.182 4.325 4.527 -0.033 0.000 0.344 584 F C 0.334 176.116 175.800 -0.031 0.000 1.188 584 F CA 0.928 58.919 58.000 -0.016 0.000 1.359 584 F CB 0.436 39.431 39.000 -0.009 0.000 1.129 584 F HN 0.314 8.860 8.300 0.411 0.000 0.609 585 G N 0.711 109.536 108.800 0.042 0.000 3.253 585 G HA2 0.291 4.261 3.960 0.018 0.000 0.175 585 G HA3 0.291 4.259 3.960 -0.074 -0.053 0.175 585 G C -1.977 172.896 174.900 -0.045 0.000 1.098 585 G CA -0.494 44.593 45.100 -0.021 0.000 0.790 585 G HN 0.059 8.306 8.290 -0.071 0.000 0.648 586 K N 0.209 120.563 120.400 -0.077 0.000 2.218 586 K HA 0.126 4.423 4.320 -0.038 0.000 0.276 586 K C -0.137 176.412 176.600 -0.085 0.000 1.022 586 K CA 0.156 56.406 56.287 -0.061 0.000 0.946 586 K CB 0.380 32.850 32.500 -0.051 0.000 1.000 586 K HN 0.110 8.302 8.250 -0.097 0.000 0.468 587 T N 4.942 119.458 114.554 -0.064 0.000 2.834 587 T HA -0.180 4.108 4.350 -0.104 0.000 0.298 587 T C -0.043 174.623 174.700 -0.056 0.000 0.966 587 T CA 1.717 63.774 62.100 -0.073 0.000 1.141 587 T CB 0.113 68.951 68.868 -0.050 0.000 0.905 587 T HN 0.260 8.474 8.240 -0.044 0.000 0.535 588 L N 6.758 127.943 121.223 -0.063 0.000 2.202 588 L HA -0.016 4.308 4.340 -0.025 0.000 0.205 588 L C 0.605 177.450 176.870 -0.042 0.000 1.083 588 L CA 0.892 55.708 54.840 -0.040 0.000 0.790 588 L CB 0.500 42.539 42.059 -0.033 0.000 0.942 588 L HN 0.356 8.536 8.230 -0.083 0.000 0.452 589 G N -4.253 104.518 108.800 -0.048 0.000 2.691 589 G HA2 0.051 3.996 3.960 -0.025 0.000 0.298 589 G HA3 0.051 4.055 3.960 -0.033 -0.064 0.298 589 G C -3.187 171.692 174.900 -0.035 0.000 1.471 589 G CA 0.659 45.738 45.100 -0.034 0.000 0.912 589 G HN -0.821 7.434 8.290 -0.058 0.000 0.553 590 A N 1.368 124.175 122.820 -0.022 0.000 2.359 590 A HA 0.648 4.947 4.320 -0.034 0.000 0.303 590 A C -1.064 176.516 177.584 -0.006 0.000 1.066 590 A CA -1.192 50.831 52.037 -0.023 0.000 0.730 590 A CB 2.967 21.953 19.000 -0.025 0.000 1.211 590 A HN 0.009 8.150 8.150 -0.014 0.000 0.439 591 G N 0.105 108.905 108.800 0.000 0.000 2.583 591 G HA2 0.160 4.111 3.960 0.034 0.000 0.280 591 G HA3 0.160 4.262 3.960 0.056 -0.109 0.280 591 G C -0.941 173.978 174.900 0.031 0.000 1.376 591 G CA -0.778 44.343 45.100 0.034 0.000 1.043 591 G HN -0.206 8.077 8.290 -0.012 0.000 0.538 592 A N -1.194 121.669 122.820 0.072 0.000 2.123 592 A HA -0.159 4.122 4.320 -0.064 0.000 0.214 592 A C 0.146 177.641 177.584 -0.149 0.000 1.152 592 A CA 1.575 53.586 52.037 -0.043 0.000 0.728 592 A CB 0.417 19.370 19.000 -0.078 0.000 0.814 592 A HN 0.548 8.783 8.150 0.141 0.000 0.464 593 F N -4.694 115.219 119.950 -0.061 0.000 2.714 593 F HA 0.038 4.536 4.527 -0.048 0.000 0.294 593 F C -0.278 175.428 175.800 -0.157 0.000 1.120 593 F CA 1.232 59.186 58.000 -0.078 0.000 1.398 593 F CB 1.362 40.342 39.000 -0.034 0.000 1.120 593 F HN -0.130 8.307 8.300 0.296 0.041 0.589 594 G N -4.392 104.395 108.800 -0.022 0.000 2.435 594 G HA2 0.268 4.255 3.960 -0.088 0.000 0.296 594 G HA3 0.268 4.209 3.960 -0.188 -0.094 0.296 594 G C -3.144 171.699 174.900 -0.095 0.000 1.240 594 G CA 0.546 45.581 45.100 -0.109 0.000 0.872 594 G HN -0.734 7.559 8.290 0.004 0.000 0.480 595 K N -1.532 118.798 120.400 -0.117 0.000 2.625 595 K HA 0.428 4.810 4.320 -0.081 -0.110 0.284 595 K C -3.279 173.251 176.600 -0.117 0.000 0.984 595 K CA -0.364 55.867 56.287 -0.094 0.000 0.865 595 K CB 4.473 36.931 32.500 -0.072 0.000 1.468 595 K HN 0.373 8.538 8.250 -0.142 0.000 0.407 596 V N 1.985 121.833 119.914 -0.110 0.000 2.531 596 V HA 0.839 5.083 4.120 -0.155 -0.217 0.301 596 V C -2.436 173.565 176.094 -0.156 0.000 1.034 596 V CA -2.953 59.268 62.300 -0.132 0.000 0.865 596 V CB 2.829 34.596 31.823 -0.094 0.000 0.995 596 V HN -0.001 8.133 8.190 -0.093 0.000 0.424 597 V N 4.114 123.882 119.914 -0.243 0.000 3.019 597 V HA 0.720 4.814 4.120 -0.195 -0.091 0.317 597 V C -2.610 173.310 176.094 -0.290 0.000 1.094 597 V CA -3.926 58.208 62.300 -0.277 0.000 1.000 597 V CB 3.897 35.476 31.823 -0.407 0.000 1.060 597 V HN 0.005 8.018 8.190 -0.295 0.000 0.443 598 E N 1.358 121.398 120.200 -0.265 0.000 2.214 598 E HA 0.767 5.085 4.350 -0.312 -0.156 0.274 598 E C -1.856 174.558 176.600 -0.310 0.000 0.977 598 E CA -1.950 54.257 56.400 -0.321 0.000 0.827 598 E CB 3.113 32.570 29.700 -0.405 0.000 1.130 598 E HN -0.099 8.122 8.360 -0.231 0.000 0.394 599 A N 1.752 124.390 122.820 -0.304 0.000 2.529 599 A HA 0.644 4.980 4.320 -0.133 -0.095 0.296 599 A C -1.965 175.491 177.584 -0.213 0.000 1.205 599 A CA -0.822 51.103 52.037 -0.186 0.000 0.671 599 A CB 3.699 22.635 19.000 -0.107 0.000 1.301 599 A HN 0.526 8.466 8.150 -0.349 0.000 0.450 600 T N 0.080 114.529 114.554 -0.174 0.000 2.840 600 T HA 0.340 4.621 4.350 -0.336 -0.133 0.287 600 T C -1.448 173.015 174.700 -0.396 0.000 0.991 600 T CA -0.666 61.229 62.100 -0.343 0.000 0.964 600 T CB 1.808 70.410 68.868 -0.443 0.000 0.954 600 T HN -0.157 8.032 8.240 -0.085 0.000 0.438 601 A N 6.523 129.122 122.820 -0.369 0.000 2.280 601 A HA 0.719 5.219 4.320 -0.001 -0.180 0.320 601 A C -1.722 175.775 177.584 -0.144 0.000 1.366 601 A CA -2.139 49.788 52.037 -0.183 0.000 0.938 601 A CB 1.325 20.149 19.000 -0.294 0.000 1.157 601 A HN 0.324 8.264 8.150 -0.350 0.000 0.536 602 F N 4.640 124.736 119.950 0.244 0.000 2.404 602 F HA -0.171 4.434 4.527 0.129 0.000 0.359 602 F C 1.482 177.426 175.800 0.242 0.000 1.134 602 F CA 0.378 58.486 58.000 0.181 0.000 1.160 602 F CB -0.290 38.778 39.000 0.114 0.000 1.186 602 F HN -0.275 8.212 8.300 0.312 0.000 0.526 603 G N 4.804 113.804 108.800 0.333 0.000 2.131 603 G HA2 -0.433 3.651 3.960 0.206 0.000 0.223 603 G HA3 -0.433 3.677 3.960 0.250 0.000 0.223 603 G C -1.430 173.694 174.900 0.373 0.000 0.990 603 G CA -0.201 45.066 45.100 0.279 0.000 0.671 603 G HN 0.303 8.748 8.290 0.258 0.000 0.521 604 L N 1.701 123.135 121.223 0.351 0.000 2.261 604 L HA 0.044 4.655 4.340 0.451 0.000 0.289 604 L C -0.696 176.240 176.870 0.110 0.000 1.059 604 L CA -0.295 54.690 54.840 0.241 0.000 0.816 604 L CB -0.303 41.634 42.059 -0.204 0.000 1.191 604 L HN -0.624 7.758 8.230 0.253 0.000 0.431 605 G N 4.741 113.618 108.800 0.127 0.000 2.462 605 G HA2 -0.190 3.808 3.960 0.063 0.000 0.685 605 G HA3 -0.190 3.803 3.960 0.054 0.000 0.685 605 G C -0.080 174.857 174.900 0.062 0.000 1.295 605 G CA -0.758 44.385 45.100 0.072 0.000 0.941 605 G HN -0.399 7.994 8.290 0.172 0.000 0.554 606 K N 0.527 120.949 120.400 0.035 0.000 2.026 606 K HA -0.180 4.155 4.320 0.025 0.000 0.208 606 K C 0.944 177.565 176.600 0.034 0.000 1.048 606 K CA 2.163 58.466 56.287 0.026 0.000 0.929 606 K CB -0.316 32.191 32.500 0.012 0.000 0.713 606 K HN 0.359 8.625 8.250 0.027 0.000 0.439 607 E N -3.919 116.301 120.200 0.034 0.000 2.338 607 E HA -0.122 4.246 4.350 0.029 0.000 0.197 607 E C -0.474 176.155 176.600 0.048 0.000 1.007 607 E CA -0.070 56.350 56.400 0.034 0.000 0.849 607 E CB -0.996 28.720 29.700 0.027 0.000 0.774 607 E HN 0.030 8.408 8.360 0.031 0.000 0.506 608 D N -2.934 117.505 120.400 0.066 0.000 2.955 608 D HA -0.390 4.319 4.640 0.115 0.000 0.226 608 D C -1.006 175.352 176.300 0.096 0.000 1.178 608 D CA 1.314 55.369 54.000 0.091 0.000 0.808 608 D CB -0.646 40.200 40.800 0.077 0.000 1.099 608 D HN -0.462 7.903 8.370 0.067 0.045 0.421 609 A N -2.442 120.422 122.820 0.073 0.000 2.275 609 A HA -0.025 4.342 4.320 0.078 0.000 0.282 609 A C -1.516 176.106 177.584 0.065 0.000 1.275 609 A CA -0.013 52.064 52.037 0.066 0.000 0.842 609 A CB 1.628 20.650 19.000 0.037 0.000 1.280 609 A HN -0.207 7.937 8.150 0.060 0.042 0.508 610 V N -0.365 119.568 119.914 0.033 0.000 2.350 610 V HA 0.216 4.426 4.120 -0.116 -0.159 0.276 610 V C -0.273 175.761 176.094 -0.101 0.000 1.028 610 V CA -0.423 61.837 62.300 -0.066 0.000 0.860 610 V CB 0.187 31.980 31.823 -0.051 0.000 0.990 610 V HN 0.014 8.227 8.190 0.039 0.000 0.453 611 L N 5.544 126.682 121.223 -0.142 0.000 2.362 611 L HA 0.590 4.870 4.340 -0.100 0.000 0.271 611 L C -1.474 175.289 176.870 -0.180 0.000 1.002 611 L CA -1.936 52.830 54.840 -0.124 0.000 0.818 611 L CB 1.807 43.818 42.059 -0.080 0.000 1.298 611 L HN -0.233 7.899 8.230 -0.163 0.000 0.420 612 K N 2.670 122.974 120.400 -0.160 0.000 2.276 612 K HA 0.357 4.689 4.320 -0.266 -0.172 0.283 612 K C -0.171 176.325 176.600 -0.173 0.000 1.044 612 K CA -0.053 56.100 56.287 -0.225 0.000 0.944 612 K CB 0.487 32.828 32.500 -0.266 0.000 1.012 612 K HN 0.308 8.485 8.250 -0.121 0.000 0.472 613 V N -0.526 119.259 119.914 -0.215 0.000 3.119 613 V HA 0.520 4.624 4.120 -0.028 0.000 0.311 613 V C -2.596 173.412 176.094 -0.142 0.000 1.259 613 V CA -3.314 58.913 62.300 -0.122 0.000 1.067 613 V CB 4.187 35.925 31.823 -0.142 0.000 1.123 613 V HN 0.136 8.169 8.190 -0.261 0.000 0.463 614 A N -1.899 120.877 122.820 -0.072 0.000 2.356 614 A HA 0.876 5.288 4.320 -0.138 -0.175 0.310 614 A C -1.808 175.701 177.584 -0.125 0.000 1.075 614 A CA -1.818 50.168 52.037 -0.085 0.000 0.746 614 A CB 3.035 22.043 19.000 0.012 0.000 1.221 614 A HN -0.217 7.900 8.150 -0.054 0.000 0.443 615 V N 4.037 123.837 119.914 -0.190 0.000 2.350 615 V HA 0.382 4.590 4.120 -0.133 -0.168 0.285 615 V C -0.624 175.366 176.094 -0.173 0.000 1.014 615 V CA -1.558 60.632 62.300 -0.184 0.000 0.831 615 V CB 1.601 33.271 31.823 -0.256 0.000 1.000 615 V HN 0.401 8.448 8.190 -0.238 0.000 0.433 616 K N 8.010 128.337 120.400 -0.122 0.000 2.249 616 K HA 0.263 4.645 4.320 -0.130 -0.140 0.280 616 K C -0.638 175.895 176.600 -0.112 0.000 1.033 616 K CA -0.130 56.085 56.287 -0.121 0.000 0.946 616 K CB 1.078 33.514 32.500 -0.107 0.000 1.005 616 K HN 0.234 8.420 8.250 -0.107 0.000 0.469 617 M N -0.135 119.391 119.600 -0.123 0.000 2.578 617 M HA 0.521 4.956 4.480 -0.076 0.000 0.276 617 M C -2.434 173.797 176.300 -0.116 0.000 1.245 617 M CA -0.447 54.802 55.300 -0.086 0.000 0.871 617 M CB 4.416 37.005 32.600 -0.020 0.000 1.722 617 M HN 0.102 8.307 8.290 -0.142 0.000 0.473 618 L N -0.626 120.545 121.223 -0.087 0.000 2.416 618 L HA 0.201 4.464 4.340 -0.128 0.000 0.262 618 L C 0.352 177.193 176.870 -0.048 0.000 1.093 618 L CA -0.341 54.448 54.840 -0.084 0.000 0.801 618 L CB 1.043 43.074 42.059 -0.047 0.000 1.191 618 L HN 0.425 8.619 8.230 -0.060 0.000 0.459 619 K N 0.755 121.127 120.400 -0.047 0.000 3.073 619 K HA -0.005 4.296 4.320 -0.032 0.000 0.232 619 K C 0.525 177.107 176.600 -0.030 0.000 1.135 619 K CA 0.247 56.510 56.287 -0.041 0.000 1.428 619 K CB 0.519 32.981 32.500 -0.063 0.000 1.921 619 K HN -0.152 8.068 8.250 -0.050 0.000 0.546 620 S N -1.447 114.230 115.700 -0.039 0.000 2.540 620 S HA 0.052 4.510 4.470 -0.019 0.000 0.222 620 S C -0.033 174.548 174.600 -0.031 0.000 1.008 620 S CA 0.439 58.622 58.200 -0.029 0.000 0.939 620 S CB 0.135 63.318 63.200 -0.029 0.000 0.865 620 S HN 0.281 8.559 8.310 -0.052 0.000 0.499 621 T N 6.157 120.684 114.554 -0.044 0.000 3.455 621 T HA -0.003 4.325 4.350 -0.037 0.000 0.286 621 T C -0.384 174.313 174.700 -0.006 0.000 1.157 621 T CA 1.091 63.166 62.100 -0.040 0.000 1.090 621 T CB -1.145 67.671 68.868 -0.086 0.000 1.112 621 T HN -0.334 7.872 8.240 -0.057 0.000 0.779 625 D N -0.299 120.121 120.400 0.034 0.000 2.378 625 D HA -0.062 4.589 4.640 0.018 0.000 0.227 625 D C 0.919 177.246 176.300 0.044 0.000 1.012 625 D CA 0.833 54.850 54.000 0.029 0.000 0.905 625 D CB 0.084 40.898 40.800 0.023 0.000 0.895 625 D HN 0.212 8.603 8.370 0.035 0.000 0.532 626 E N -0.247 119.997 120.200 0.074 0.000 2.057 626 E HA -0.145 4.288 4.350 0.138 0.000 0.190 626 E C 1.603 178.265 176.600 0.104 0.000 0.969 626 E CA 2.514 58.989 56.400 0.125 0.000 0.812 626 E CB -0.243 29.559 29.700 0.171 0.000 0.777 626 E HN 0.252 8.563 8.360 0.070 0.091 0.455 627 K N -0.271 120.166 120.400 0.062 0.000 2.127 627 K HA -0.366 3.972 4.320 0.030 0.000 0.208 627 K C 2.320 178.930 176.600 0.016 0.000 1.047 627 K CA 3.320 59.625 56.287 0.030 0.000 0.927 627 K CB -0.514 31.991 32.500 0.009 0.000 0.716 627 K HN -0.177 8.106 8.250 0.055 0.000 0.450 628 E N -1.579 118.629 120.200 0.014 0.000 2.077 628 E HA -0.305 4.037 4.350 -0.014 0.000 0.193 628 E C 1.814 178.405 176.600 -0.015 0.000 0.989 628 E CA 2.805 59.201 56.400 -0.005 0.000 0.800 628 E CB -0.114 29.583 29.700 -0.005 0.000 0.746 628 E HN -0.639 7.717 8.360 0.022 0.017 0.452 629 A N -0.445 122.372 122.820 -0.004 0.000 1.902 629 A HA -0.257 4.007 4.320 -0.094 0.000 0.217 629 A C 1.970 179.545 177.584 -0.015 0.000 1.181 629 A CA 2.937 54.942 52.037 -0.054 0.000 0.623 629 A CB -0.731 18.203 19.000 -0.110 0.000 0.818 629 A HN -0.495 7.572 8.150 0.019 0.094 0.443 630 L N -0.661 120.620 121.223 0.098 0.000 2.083 630 L HA -0.224 4.230 4.340 0.189 0.000 0.209 630 L C 1.884 178.739 176.870 -0.025 0.000 1.083 630 L CA 2.856 57.755 54.840 0.099 0.000 0.752 630 L CB -0.064 42.034 42.059 0.066 0.000 0.899 630 L HN -0.608 7.696 8.230 0.123 0.000 0.433 631 M N -1.602 117.968 119.600 -0.050 0.000 2.086 631 M HA -0.397 4.002 4.480 -0.134 0.000 0.261 631 M C 2.434 178.691 176.300 -0.071 0.000 1.067 631 M CA 2.223 57.468 55.300 -0.091 0.000 1.116 631 M CB -1.526 31.024 32.600 -0.082 0.000 1.348 631 M HN -0.435 7.834 8.290 -0.034 0.000 0.407 632 S N -0.442 115.223 115.700 -0.059 0.000 2.383 632 S HA -0.330 4.117 4.470 -0.037 0.000 0.229 632 S C 2.237 176.791 174.600 -0.077 0.000 1.030 632 S CA 3.660 61.826 58.200 -0.057 0.000 1.002 632 S CB -0.803 62.357 63.200 -0.068 0.000 0.829 632 S HN -0.203 8.074 8.310 -0.055 0.000 0.467 633 E N 2.800 122.935 120.200 -0.108 0.000 2.110 633 E HA -0.351 3.892 4.350 -0.178 0.000 0.193 633 E C 1.940 178.448 176.600 -0.152 0.000 0.988 633 E CA 2.912 59.218 56.400 -0.156 0.000 0.804 633 E CB -0.238 29.365 29.700 -0.161 0.000 0.745 633 E HN -0.525 7.774 8.360 -0.101 0.000 0.458 634 L N -0.394 120.753 121.223 -0.127 0.000 2.046 634 L HA -0.288 3.938 4.340 -0.190 0.000 0.208 634 L C 2.058 178.871 176.870 -0.094 0.000 1.077 634 L CA 3.048 57.801 54.840 -0.145 0.000 0.747 634 L CB -0.232 41.735 42.059 -0.154 0.000 0.896 634 L HN -0.425 7.645 8.230 -0.111 0.094 0.432 635 K N -1.337 119.052 120.400 -0.019 0.000 2.057 635 K HA -0.251 4.134 4.320 0.108 0.000 0.206 635 K C 2.984 179.621 176.600 0.061 0.000 1.050 635 K CA 3.158 59.479 56.287 0.057 0.000 0.935 635 K CB -0.030 32.510 32.500 0.066 0.000 0.715 635 K HN -0.439 7.794 8.250 -0.029 0.000 0.439 636 I N 0.601 121.187 120.570 0.026 0.000 2.142 636 I HA -0.573 3.681 4.170 0.140 0.000 0.240 636 I C 1.709 177.882 176.117 0.094 0.000 1.078 636 I CA 4.244 65.595 61.300 0.084 0.000 1.343 636 I CB -0.092 37.943 38.000 0.059 0.000 1.046 636 I HN -0.490 7.713 8.210 -0.012 0.000 0.405 637 M N -1.369 118.209 119.600 -0.036 0.000 2.106 637 M HA -0.521 3.951 4.480 -0.014 0.000 0.259 637 M C 2.134 178.401 176.300 -0.055 0.000 1.068 637 M CA 4.334 59.586 55.300 -0.080 0.000 1.100 637 M CB -0.157 32.304 32.600 -0.232 0.000 1.351 637 M HN -0.428 7.802 8.290 -0.101 0.000 0.404 638 S N -3.122 112.514 115.700 -0.107 0.000 2.447 638 S HA -0.271 4.057 4.470 -0.236 0.000 0.233 638 S C 1.454 176.214 174.600 0.267 0.000 1.006 638 S CA 2.909 61.075 58.200 -0.058 0.000 0.957 638 S CB -0.490 62.636 63.200 -0.122 0.000 0.773 638 S HN -0.339 7.895 8.310 -0.116 0.007 0.507 639 H N 3.053 122.205 119.070 0.137 0.000 2.431 639 H HA 0.030 4.695 4.556 0.181 0.000 0.295 639 H C 1.575 177.005 175.328 0.170 0.000 1.038 639 H CA 2.474 58.615 56.048 0.156 0.000 1.360 639 H CB 1.097 30.924 29.762 0.110 0.000 1.433 639 H HN -0.722 7.575 8.280 0.264 0.142 0.536 640 L N -2.370 118.874 121.223 0.035 0.000 2.261 640 L HA -0.338 3.925 4.340 -0.129 0.000 0.216 640 L C -0.381 176.603 176.870 0.190 0.000 1.114 640 L CA 1.861 56.730 54.840 0.049 0.000 0.777 640 L CB 0.167 42.388 42.059 0.269 0.000 0.910 640 L HN -0.516 7.810 8.230 0.160 0.000 0.440 641 G N -4.602 104.323 108.800 0.210 0.000 2.829 641 G HA2 -0.381 3.739 3.960 0.267 0.000 0.628 641 G HA3 -0.381 3.753 3.960 0.289 0.000 0.628 641 G C -1.686 173.380 174.900 0.275 0.000 1.412 641 G CA -0.693 44.573 45.100 0.277 0.000 0.864 641 G HN -0.769 7.589 8.290 0.184 0.042 0.544 642 Q N 0.235 120.140 119.800 0.175 0.000 2.237 642 Q HA 0.214 4.743 4.340 0.037 -0.166 0.219 642 Q C -1.154 174.720 176.000 -0.210 0.000 0.999 642 Q CA -0.571 55.251 55.803 0.032 0.000 0.959 642 Q CB 1.825 30.598 28.738 0.058 0.000 1.173 642 Q HN 0.162 8.542 8.270 0.183 0.000 0.527 643 H N -0.822 118.019 119.070 -0.381 0.000 3.139 643 H HA 0.077 4.376 4.556 -0.428 0.000 0.325 643 H C -0.159 175.016 175.328 -0.255 0.000 1.146 643 H CA -0.136 55.598 56.048 -0.523 0.000 1.351 643 H CB 3.665 32.705 29.762 -1.204 0.000 2.005 643 H HN -0.124 8.312 8.280 -0.106 -0.220 0.517 644 E N 4.317 124.379 120.200 -0.230 0.000 2.331 644 E HA -0.292 4.033 4.350 -0.042 0.000 0.199 644 E C -0.209 176.477 176.600 0.144 0.000 1.008 644 E CA 2.691 59.068 56.400 -0.040 0.000 0.843 644 E CB -0.290 29.330 29.700 -0.133 0.000 0.761 644 E HN 0.554 8.512 8.360 -0.670 0.000 0.507 645 N N -1.869 117.067 118.700 0.395 0.000 2.170 645 N HA 0.291 5.227 4.740 0.129 -0.119 0.222 645 N C -1.878 173.668 175.510 0.059 0.000 1.218 645 N CA -0.158 52.994 53.050 0.170 0.000 0.889 645 N CB 2.547 41.123 38.487 0.149 0.000 1.083 645 N HN -0.233 8.664 8.380 0.963 0.061 0.520 646 I N -1.279 119.321 120.570 0.050 0.000 2.525 646 I HA 0.364 4.737 4.170 0.113 -0.136 0.301 646 I C -0.841 175.335 176.117 0.098 0.000 0.992 646 I CA -2.833 58.512 61.300 0.076 0.000 1.162 646 I CB 1.889 39.927 38.000 0.064 0.000 1.332 646 I HN -0.429 7.830 8.210 0.083 0.000 0.458 647 V N 5.440 125.441 119.914 0.144 0.000 2.425 647 V HA -0.290 3.880 4.120 0.082 0.000 0.276 647 V C -0.773 175.351 176.094 0.050 0.000 1.017 647 V CA 0.997 63.364 62.300 0.112 0.000 1.062 647 V CB -0.745 31.203 31.823 0.209 0.000 0.997 647 V HN -0.314 7.995 8.190 0.198 0.000 0.476 648 N N 7.718 126.432 118.700 0.023 0.000 2.524 648 N HA 0.011 4.751 4.740 0.000 0.000 0.283 648 N C -0.965 174.514 175.510 -0.051 0.000 1.142 648 N CA -1.218 51.831 53.050 -0.001 0.000 0.984 648 N CB 1.541 40.042 38.487 0.023 0.000 1.155 648 N HN -0.393 8.262 8.380 0.024 -0.261 0.467 649 L N 2.529 123.677 121.223 -0.125 0.000 2.453 649 L HA -0.101 4.224 4.340 -0.225 -0.120 0.272 649 L C -0.126 176.661 176.870 -0.139 0.000 1.182 649 L CA 1.251 55.935 54.840 -0.260 0.000 0.858 649 L CB 0.608 42.325 42.059 -0.570 0.000 1.120 649 L HN 0.355 8.510 8.230 -0.125 0.000 0.474 650 L N 2.739 123.922 121.223 -0.068 0.000 2.803 650 L HA 0.433 4.924 4.340 0.251 0.000 0.246 650 L C -0.197 176.821 176.870 0.247 0.000 1.100 650 L CA -0.378 54.534 54.840 0.120 0.000 0.919 650 L CB 1.405 43.467 42.059 0.004 0.000 1.285 650 L HN 0.355 8.515 8.230 -0.116 0.000 0.522 651 G N -4.708 104.176 108.800 0.139 0.000 2.317 651 G HA2 0.096 4.500 3.960 0.577 0.000 0.293 651 G HA3 0.096 4.177 3.960 0.201 0.000 0.293 651 G C -3.036 171.949 174.900 0.143 0.000 1.287 651 G CA 0.582 45.848 45.100 0.278 0.000 0.850 651 G HN -0.904 7.374 8.290 -0.021 0.000 0.515 652 A N -3.056 119.915 122.820 0.253 0.000 2.601 652 A HA 0.818 5.326 4.320 0.082 -0.139 0.291 652 A C -2.867 174.845 177.584 0.214 0.000 1.075 652 A CA -0.364 51.770 52.037 0.161 0.000 0.671 652 A CB 3.575 22.629 19.000 0.090 0.000 1.277 652 A HN -0.210 8.157 8.150 0.361 0.000 0.417 653 C N -0.568 118.795 119.300 0.106 0.000 2.386 653 C HA 0.553 5.270 4.460 0.145 -0.170 0.318 653 C C 0.560 175.520 174.990 -0.050 0.000 1.128 653 C CA -1.872 57.204 59.018 0.096 0.000 1.438 653 C CB 1.252 29.073 27.740 0.136 0.000 1.987 653 C HN 0.257 8.517 8.230 0.049 0.000 0.426 654 T N 2.955 117.400 114.554 -0.181 0.000 3.054 654 T HA 0.074 4.259 4.350 -0.276 0.000 0.255 654 T C -0.039 174.390 174.700 -0.452 0.000 1.035 654 T CA -0.535 61.333 62.100 -0.387 0.000 0.941 654 T CB 0.961 69.457 68.868 -0.621 0.000 1.026 654 T HN 0.331 8.918 8.240 -0.150 -0.437 0.533 655 H N 0.560 119.657 119.070 0.044 0.000 2.797 655 H HA 0.168 4.741 4.556 0.029 0.000 0.372 655 H C 0.656 176.002 175.328 0.030 0.000 1.168 655 H CA -0.360 55.712 56.048 0.039 0.000 1.163 655 H CB 2.394 32.189 29.762 0.054 0.000 1.778 655 H HN -0.792 7.587 8.280 -0.044 -0.125 0.551 656 G N 0.131 109.024 108.800 0.154 0.000 2.160 656 G HA2 -0.337 3.661 3.960 0.063 0.000 0.251 656 G HA3 -0.337 3.668 3.960 0.074 0.000 0.251 656 G C -1.147 173.780 174.900 0.045 0.000 1.008 656 G CA 0.330 45.477 45.100 0.078 0.000 0.724 656 G HN 0.409 8.798 8.290 0.165 0.000 0.514 657 G N -1.287 107.538 108.800 0.042 0.000 2.356 657 G HA2 -0.060 3.909 3.960 0.015 0.000 0.288 657 G HA3 -0.060 3.909 3.960 0.015 0.000 0.288 657 G C -3.092 171.815 174.900 0.012 0.000 1.302 657 G CA -0.698 44.414 45.100 0.020 0.000 0.887 657 G HN -0.602 7.688 8.290 0.052 0.031 0.521 658 P HA 0.098 4.515 4.420 -0.006 0.000 0.270 658 P C -1.003 176.293 177.300 -0.006 0.000 1.223 658 P CA -0.372 62.728 63.100 0.002 0.000 0.785 658 P CB 0.867 32.574 31.700 0.012 0.000 0.923 659 V N 1.148 121.043 119.914 -0.032 0.000 2.529 659 V HA 0.083 4.403 4.120 -0.076 -0.246 0.292 659 V C -0.260 175.817 176.094 -0.028 0.000 1.028 659 V CA 0.494 62.758 62.300 -0.060 0.000 1.074 659 V CB 0.250 32.015 31.823 -0.098 0.000 0.958 659 V HN 0.058 8.227 8.190 -0.035 0.000 0.481 660 L N 6.570 127.786 121.223 -0.011 0.000 2.333 660 L HA 0.585 5.087 4.340 0.004 -0.160 0.280 660 L C -0.728 176.127 176.870 -0.025 0.000 1.004 660 L CA -1.608 53.240 54.840 0.015 0.000 0.820 660 L CB 2.178 44.299 42.059 0.102 0.000 1.247 660 L HN -0.158 8.063 8.230 -0.014 0.000 0.416 661 V N 4.601 124.481 119.914 -0.058 0.000 2.328 661 V HA 0.241 4.310 4.120 -0.085 0.000 0.278 661 V C -0.867 175.175 176.094 -0.087 0.000 1.021 661 V CA -0.820 61.428 62.300 -0.086 0.000 0.838 661 V CB 0.781 32.536 31.823 -0.114 0.000 0.999 661 V HN 0.087 8.239 8.190 -0.063 0.000 0.447 662 I N 8.340 128.861 120.570 -0.082 0.000 2.395 662 I HA 0.432 4.696 4.170 -0.100 -0.155 0.289 662 I C -0.001 176.052 176.117 -0.106 0.000 1.023 662 I CA -0.316 60.924 61.300 -0.100 0.000 1.350 662 I CB 0.414 38.335 38.000 -0.132 0.000 1.409 662 I HN 0.070 8.239 8.210 -0.067 0.000 0.507 663 T N 3.782 118.283 114.554 -0.088 0.000 2.804 663 T HA 0.672 5.124 4.350 -0.076 -0.147 0.290 663 T C -0.547 174.131 174.700 -0.036 0.000 1.099 663 T CA -2.791 59.270 62.100 -0.065 0.000 1.011 663 T CB 3.334 72.173 68.868 -0.048 0.000 1.291 663 T HN 0.629 8.818 8.240 -0.085 0.000 0.523 664 E N 0.300 120.492 120.200 -0.015 0.000 2.360 664 E HA -0.043 4.308 4.350 0.003 0.000 0.269 664 E C -1.066 175.546 176.600 0.020 0.000 1.022 664 E CA 0.551 56.952 56.400 0.001 0.000 0.887 664 E CB 0.893 30.592 29.700 -0.002 0.000 0.990 664 E HN -0.167 8.185 8.360 -0.013 0.000 0.426 665 Y N 5.654 125.890 120.300 -0.106 0.000 2.350 665 Y HA 0.015 4.480 4.550 -0.141 0.000 0.340 665 Y C -1.318 174.502 175.900 -0.134 0.000 1.006 665 Y CA 0.628 58.648 58.100 -0.132 0.000 1.166 665 Y CB 0.533 38.907 38.460 -0.143 0.000 1.168 665 Y HN 0.156 8.510 8.280 0.124 0.000 0.502 666 C N 6.963 125.851 119.300 -0.688 0.000 2.225 666 C HA 0.342 4.525 4.460 -0.462 0.000 0.323 666 C C 0.818 175.251 174.990 -0.930 0.000 1.164 666 C CA -1.516 57.135 59.018 -0.612 0.000 1.565 666 C CB 1.836 29.361 27.740 -0.359 0.000 2.124 666 C HN 0.524 8.364 8.230 -0.650 0.000 0.461 667 C N 7.476 126.230 119.300 -0.910 0.000 2.422 667 C HA -0.202 3.587 4.460 -1.118 0.000 0.279 667 C C 0.338 174.962 174.990 -0.610 0.000 1.305 667 C CA 0.713 59.213 59.018 -0.862 0.000 1.757 667 C CB -0.179 27.186 27.740 -0.625 0.000 1.962 667 C HN 0.957 8.767 8.230 -0.700 0.000 0.499 668 Y N -0.673 119.439 120.300 -0.313 0.000 2.490 668 Y HA -0.163 4.320 4.550 -0.111 0.000 0.281 668 Y C 0.449 176.257 175.900 -0.153 0.000 1.174 668 Y CA 0.720 58.704 58.100 -0.193 0.000 1.295 668 Y CB 0.032 38.341 38.460 -0.252 0.000 1.062 668 Y HN -0.621 7.412 8.280 -0.412 0.000 0.522 669 G N -0.827 107.890 108.800 -0.138 0.000 2.642 669 G HA2 -0.499 3.334 3.960 -0.211 0.000 0.231 669 G HA3 -0.499 3.421 3.960 -0.066 0.000 0.231 669 G C -2.422 172.403 174.900 -0.125 0.000 1.338 669 G CA -0.772 44.247 45.100 -0.135 0.000 0.883 669 G HN -0.649 7.429 8.290 -0.263 0.053 0.570 670 D N -1.425 118.921 120.400 -0.091 0.000 2.313 670 D HA 0.215 4.959 4.640 -0.103 -0.166 0.247 670 D C 0.896 177.185 176.300 -0.018 0.000 1.094 670 D CA -1.035 52.925 54.000 -0.067 0.000 0.925 670 D CB 0.847 41.630 40.800 -0.028 0.000 1.188 670 D HN -0.074 8.254 8.370 -0.070 0.000 0.430 671 L N 0.934 122.128 121.223 -0.048 0.000 2.046 671 L HA -0.188 4.041 4.340 -0.185 0.000 0.208 671 L C 0.955 177.847 176.870 0.037 0.000 1.077 671 L CA 3.053 57.837 54.840 -0.093 0.000 0.747 671 L CB 0.146 42.114 42.059 -0.152 0.000 0.896 671 L HN 0.286 8.494 8.230 -0.038 0.000 0.432 672 L N -1.396 119.866 121.223 0.064 0.000 1.994 672 L HA -0.465 3.933 4.340 0.095 0.000 0.208 672 L C 1.651 178.574 176.870 0.089 0.000 1.071 672 L CA 3.200 58.096 54.840 0.093 0.000 0.745 672 L CB -0.706 41.422 42.059 0.115 0.000 0.892 672 L HN -0.599 7.668 8.230 0.062 0.000 0.431 673 N N -1.231 117.522 118.700 0.087 0.000 2.120 673 N HA -0.390 4.385 4.740 0.058 0.000 0.188 673 N C 2.293 177.852 175.510 0.082 0.000 1.024 673 N CA 3.046 56.141 53.050 0.075 0.000 0.852 673 N CB -0.316 38.212 38.487 0.069 0.000 1.003 673 N HN -0.492 8.224 8.380 0.082 -0.287 0.424 674 F N 1.523 121.454 119.950 -0.031 0.000 2.095 674 F HA -0.360 4.159 4.527 -0.014 0.000 0.298 674 F C 1.352 177.124 175.800 -0.047 0.000 1.104 674 F CA 3.462 61.439 58.000 -0.039 0.000 1.232 674 F CB 0.212 39.165 39.000 -0.079 0.000 0.987 674 F HN -0.750 7.698 8.300 0.246 0.000 0.475 675 L N -3.440 117.813 121.223 0.049 0.000 2.046 675 L HA -0.422 3.861 4.340 -0.095 0.000 0.208 675 L C 2.741 179.541 176.870 -0.117 0.000 1.077 675 L CA 2.894 57.704 54.840 -0.049 0.000 0.747 675 L CB -0.441 41.634 42.059 0.026 0.000 0.896 675 L HN -0.210 8.116 8.230 0.160 0.000 0.432 676 R N -1.827 118.638 120.500 -0.059 0.000 2.090 676 R HA -0.179 4.139 4.340 -0.037 0.000 0.228 676 R C 2.409 178.662 176.300 -0.079 0.000 1.110 676 R CA 3.006 59.080 56.100 -0.044 0.000 0.973 676 R CB 0.324 30.627 30.300 0.006 0.000 0.869 676 R HN -0.478 7.687 8.270 -0.022 0.092 0.440 677 R N -2.994 117.440 120.500 -0.111 0.000 2.346 677 R HA 0.014 4.302 4.340 -0.086 0.000 0.225 677 R C 0.298 176.478 176.300 -0.199 0.000 0.987 677 R CA 1.516 57.544 56.100 -0.121 0.000 1.106 677 R CB -0.823 29.422 30.300 -0.091 0.000 1.090 677 R HN -0.473 7.730 8.270 -0.112 0.000 0.502 678 K N -2.258 117.993 120.400 -0.248 0.000 2.438 678 K HA 0.242 4.396 4.320 -0.277 0.000 0.206 678 K C -0.215 176.255 176.600 -0.217 0.000 1.081 678 K CA -1.349 54.761 56.287 -0.295 0.000 1.053 678 K CB 1.374 33.592 32.500 -0.470 0.000 0.908 678 K HN -0.561 7.355 8.250 -0.223 0.200 0.556 697 L N 2.085 123.212 121.223 -0.160 0.000 2.399 697 L HA 0.265 4.662 4.340 -0.118 -0.128 0.266 697 L C 0.554 177.338 176.870 -0.144 0.000 1.114 697 L CA -0.007 54.746 54.840 -0.145 0.000 0.804 697 L CB 1.090 43.057 42.059 -0.153 0.000 1.146 697 L HN 0.333 8.449 8.230 -0.190 0.000 0.451 698 S N 1.046 116.667 115.700 -0.133 0.000 2.718 698 S HA 0.348 4.761 4.470 -0.094 0.000 0.300 698 S C -0.897 173.625 174.600 -0.130 0.000 1.117 698 S CA -1.203 56.931 58.200 -0.110 0.000 1.002 698 S CB 1.964 65.114 63.200 -0.084 0.000 1.092 698 S HN 0.160 8.622 8.310 -0.137 -0.234 0.542 754 D N 2.302 122.502 120.400 -0.333 0.000 2.097 754 D HA -0.124 4.299 4.640 -0.362 0.000 0.197 754 D C 1.360 177.170 176.300 -0.818 0.000 0.984 754 D CA 3.019 56.719 54.000 -0.500 0.000 0.826 754 D CB 0.367 40.910 40.800 -0.429 0.000 0.973 754 D HN -0.412 7.703 8.370 -0.253 0.103 0.460 755 L N -1.734 119.166 121.223 -0.539 0.000 2.191 755 L HA -0.296 3.783 4.340 -0.436 0.000 0.212 755 L C 2.266 178.953 176.870 -0.306 0.000 1.103 755 L CA 2.664 57.192 54.840 -0.519 0.000 0.769 755 L CB -0.404 41.200 42.059 -0.759 0.000 0.908 755 L HN -0.741 7.248 8.230 -0.402 0.000 0.438 756 L N -1.221 119.894 121.223 -0.181 0.000 2.131 756 L HA -0.302 4.157 4.340 0.198 0.000 0.206 756 L C 2.329 179.162 176.870 -0.061 0.000 1.087 756 L CA 2.837 57.663 54.840 -0.023 0.000 0.767 756 L CB -1.405 40.586 42.059 -0.114 0.000 0.917 756 L HN -0.694 7.255 8.230 -0.256 0.127 0.441 757 H N -0.195 118.798 119.070 -0.129 0.000 2.353 757 H HA -0.274 4.278 4.556 -0.007 0.000 0.300 757 H C 2.907 178.264 175.328 0.048 0.000 1.090 757 H CA 3.561 59.554 56.048 -0.091 0.000 1.327 757 H CB -0.184 29.453 29.762 -0.207 0.000 1.383 757 H HN -0.511 7.407 8.280 -0.464 0.083 0.508 758 F N -0.545 119.483 119.950 0.131 0.000 2.075 758 F HA -0.278 4.440 4.527 0.079 -0.143 0.297 758 F C 2.696 178.575 175.800 0.131 0.000 1.113 758 F CA 2.508 60.556 58.000 0.079 0.000 1.218 758 F CB -0.000 38.999 39.000 -0.002 0.000 0.984 758 F HN -0.206 7.926 8.300 -0.279 0.000 0.472 759 S N -1.400 114.500 115.700 0.333 0.000 2.359 759 S HA -0.401 4.285 4.470 0.361 0.000 0.224 759 S C 2.105 176.943 174.600 0.397 0.000 1.035 759 S CA 3.414 61.832 58.200 0.363 0.000 1.018 759 S CB -0.714 62.718 63.200 0.385 0.000 0.876 759 S HN -0.462 8.009 8.310 0.267 0.000 0.448 760 S N 2.326 118.207 115.700 0.302 0.000 2.338 760 S HA -0.414 4.209 4.470 0.255 0.000 0.218 760 S C 1.941 176.677 174.600 0.227 0.000 1.032 760 S CA 3.083 61.434 58.200 0.252 0.000 0.999 760 S CB -0.246 63.081 63.200 0.211 0.000 0.905 760 S HN -0.346 8.125 8.310 0.268 0.000 0.439 761 Q N 1.480 121.417 119.800 0.229 0.000 2.096 761 Q HA -0.364 4.082 4.340 0.176 0.000 0.208 761 Q C 2.741 178.844 176.000 0.171 0.000 0.993 761 Q CA 3.207 59.128 55.803 0.196 0.000 0.862 761 Q CB 0.044 28.907 28.738 0.209 0.000 0.915 761 Q HN -0.441 7.977 8.270 0.246 0.000 0.416 762 V N -0.722 119.323 119.914 0.218 0.000 2.427 762 V HA -0.473 3.720 4.120 0.121 0.000 0.248 762 V C 1.715 177.873 176.094 0.107 0.000 1.051 762 V CA 3.695 66.111 62.300 0.193 0.000 1.048 762 V CB -0.201 31.810 31.823 0.314 0.000 0.666 762 V HN -0.376 7.976 8.190 0.271 0.000 0.456 763 A N -1.270 121.633 122.820 0.138 0.000 2.019 763 A HA -0.352 3.816 4.320 -0.254 0.000 0.219 763 A C 2.192 179.753 177.584 -0.038 0.000 1.164 763 A CA 3.078 55.077 52.037 -0.063 0.000 0.644 763 A CB -0.855 18.143 19.000 -0.004 0.000 0.805 763 A HN -0.369 7.932 8.150 0.250 0.000 0.449 764 Q N -1.472 118.349 119.800 0.034 0.000 2.137 764 Q HA -0.150 4.239 4.340 0.081 0.000 0.198 764 Q C 3.063 179.005 176.000 -0.096 0.000 0.960 764 Q CA 2.537 58.377 55.803 0.061 0.000 0.847 764 Q CB 0.405 29.243 28.738 0.167 0.000 0.915 764 Q HN -0.335 7.849 8.270 0.079 0.133 0.448 765 G N -0.334 108.351 108.800 -0.192 0.000 2.408 765 G HA2 -0.270 3.221 3.960 -0.782 0.000 0.217 765 G HA3 -0.270 3.530 3.960 -0.267 0.000 0.217 765 G C 1.267 175.974 174.900 -0.320 0.000 1.150 765 G CA 2.055 46.921 45.100 -0.390 0.000 0.776 765 G HN -0.329 7.907 8.290 -0.089 0.000 0.542 766 M N 0.652 120.010 119.600 -0.403 0.000 2.288 766 M HA -0.147 3.947 4.480 -0.643 0.000 0.266 766 M C 1.763 177.606 176.300 -0.762 0.000 1.072 766 M CA 0.320 55.155 55.300 -0.776 0.000 1.132 766 M CB -1.140 30.643 32.600 -1.363 0.000 1.386 766 M HN -0.259 7.820 8.290 -0.352 0.000 0.432 767 A N -0.101 122.494 122.820 -0.376 0.000 1.933 767 A HA -0.231 4.083 4.320 -0.010 0.000 0.218 767 A C 1.797 179.357 177.584 -0.041 0.000 1.175 767 A CA 2.956 54.946 52.037 -0.077 0.000 0.628 767 A CB -1.065 17.977 19.000 0.069 0.000 0.814 767 A HN -0.255 7.722 8.150 -0.288 0.000 0.444 768 F N -0.229 119.604 119.950 -0.196 0.000 2.113 768 F HA -0.333 4.182 4.527 -0.020 0.000 0.297 768 F C 1.292 177.015 175.800 -0.128 0.000 1.103 768 F CA 3.226 61.152 58.000 -0.124 0.000 1.248 768 F CB 0.526 39.385 39.000 -0.234 0.000 0.999 768 F HN -0.789 7.417 8.300 0.005 0.097 0.475 769 L N -2.467 118.702 121.223 -0.089 0.000 2.012 769 L HA -0.520 3.747 4.340 -0.123 0.000 0.210 769 L C 2.212 178.949 176.870 -0.222 0.000 1.073 769 L CA 2.985 57.719 54.840 -0.177 0.000 0.748 769 L CB -0.714 41.187 42.059 -0.262 0.000 0.891 769 L HN 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0.249 773 N C -1.757 173.746 175.510 -0.012 0.000 1.072 773 N CA 1.494 54.534 53.050 -0.017 0.000 0.710 773 N CB -1.948 36.544 38.487 0.009 0.000 0.993 773 N HN -0.371 7.775 8.380 -0.080 0.185 0.547 774 C N -1.885 117.386 119.300 -0.048 0.000 2.322 774 C HA 0.454 5.048 4.460 -0.020 -0.147 0.324 774 C C -0.799 174.126 174.990 -0.109 0.000 1.284 774 C CA -2.212 56.770 59.018 -0.060 0.000 1.606 774 C CB 1.506 29.206 27.740 -0.067 0.000 2.251 774 C HN -0.334 7.842 8.230 -0.079 0.006 0.502 775 I N 4.575 125.090 120.570 -0.092 0.000 2.336 775 I HA 0.559 4.833 4.170 -0.061 -0.140 0.292 775 I C -1.304 174.672 176.117 -0.235 0.000 0.991 775 I CA -1.564 59.684 61.300 -0.086 0.000 1.227 775 I CB 1.940 39.947 38.000 0.013 0.000 1.366 775 I HN 0.312 8.485 8.210 -0.061 0.000 0.466 776 H N 9.382 128.219 119.070 -0.390 0.000 2.343 776 H HA -0.132 3.724 4.556 -1.167 0.000 0.303 776 H C 0.510 175.685 175.328 -0.254 0.000 1.068 776 H CA 3.868 59.537 56.048 -0.631 0.000 1.359 776 H CB 1.817 31.248 29.762 -0.551 0.000 1.402 776 H HN 0.282 8.824 8.280 -0.091 -0.316 0.515 777 R N -7.556 113.020 120.500 0.127 0.000 3.922 777 R HA -0.292 4.186 4.340 0.230 0.000 0.447 777 R C -1.648 174.792 176.300 0.234 0.000 1.035 777 R CA 1.894 58.076 56.100 0.137 0.000 1.289 777 R CB -1.144 29.080 30.300 -0.127 0.000 1.906 777 R HN -0.496 8.124 8.270 0.169 -0.248 0.540 778 D N -2.154 118.489 120.400 0.404 0.000 2.940 778 D HA 0.133 4.909 4.640 0.227 0.000 0.366 778 D C -1.188 175.232 176.300 0.199 0.000 1.446 778 D CA -1.128 53.061 54.000 0.315 0.000 0.780 778 D CB 1.282 42.259 40.800 0.296 0.000 1.206 778 D HN -0.552 8.162 8.370 0.699 0.075 0.454 779 V N 0.824 120.799 119.914 0.100 0.000 2.446 779 V HA -0.323 3.605 4.120 -0.321 0.000 0.276 779 V C -1.742 174.394 176.094 0.071 0.000 1.030 779 V CA 1.198 63.465 62.300 -0.055 0.000 1.033 779 V CB -0.262 31.609 31.823 0.080 0.000 0.993 779 V HN -0.283 8.022 8.190 0.192 0.000 0.477 780 A N 4.168 126.983 122.820 -0.009 0.000 2.586 780 A HA 0.185 4.625 4.320 0.199 0.000 0.291 780 A C -1.153 176.474 177.584 0.073 0.000 1.062 780 A CA -1.031 50.991 52.037 -0.024 0.000 0.666 780 A CB 2.904 21.548 19.000 -0.593 0.000 1.281 780 A HN -0.533 7.595 8.150 -0.037 0.000 0.421 781 A N -0.274 122.645 122.820 0.164 0.000 1.930 781 A HA -0.234 4.159 4.320 0.122 0.000 0.217 781 A C 1.706 179.356 177.584 0.110 0.000 1.175 781 A CA 3.208 55.330 52.037 0.143 0.000 0.627 781 A CB -0.112 18.998 19.000 0.183 0.000 0.815 781 A HN 0.294 8.854 8.150 0.264 -0.252 0.443 782 R N -4.658 115.897 120.500 0.092 0.000 2.159 782 R HA -0.303 4.103 4.340 0.111 0.000 0.237 782 R C 0.449 176.873 176.300 0.206 0.000 1.131 782 R CA 2.492 58.659 56.100 0.112 0.000 0.982 782 R CB -0.760 29.587 30.300 0.078 0.000 0.868 782 R HN 0.260 8.567 8.270 0.061 0.000 0.453 783 N N -0.761 118.057 118.700 0.196 0.000 2.295 783 N HA 0.102 5.158 4.740 0.527 0.000 0.221 783 N C -1.981 173.743 175.510 0.357 0.000 1.129 783 N CA 0.139 53.371 53.050 0.304 0.000 0.836 783 N CB 0.544 39.115 38.487 0.140 0.000 1.040 783 N HN -0.592 7.712 8.380 0.112 0.143 0.494 784 V N -0.609 119.474 119.914 0.282 0.000 2.604 784 V HA 0.400 4.815 4.120 0.267 -0.136 0.305 784 V C -2.024 174.138 176.094 0.113 0.000 1.043 784 V CA -1.008 61.415 62.300 0.205 0.000 0.888 784 V CB 3.066 34.936 31.823 0.077 0.000 0.995 784 V HN -0.420 7.736 8.190 0.213 0.162 0.429 785 L N 4.408 125.669 121.223 0.064 0.000 2.303 785 L HA 0.644 5.046 4.340 -0.140 -0.146 0.266 785 L C -1.434 175.358 176.870 -0.129 0.000 1.011 785 L CA -1.913 52.867 54.840 -0.099 0.000 0.818 785 L CB 3.893 45.842 42.059 -0.183 0.000 1.326 785 L HN 0.675 8.979 8.230 0.124 0.000 0.435 786 L N -1.767 119.350 121.223 -0.176 0.000 2.356 786 L HA 0.595 5.045 4.340 -0.136 -0.191 0.277 786 L C -0.891 175.938 176.870 -0.068 0.000 0.996 786 L CA -1.121 53.625 54.840 -0.157 0.000 0.822 786 L CB 2.216 44.083 42.059 -0.319 0.000 1.256 786 L HN 0.317 8.438 8.230 -0.183 0.000 0.413 787 T N 1.736 116.266 114.554 -0.040 0.000 2.780 787 T HA 0.223 4.458 4.350 -0.191 0.000 0.263 787 T C -1.377 173.348 174.700 0.042 0.000 0.993 787 T CA -3.254 58.797 62.100 -0.080 0.000 1.010 787 T CB 2.083 70.889 68.868 -0.104 0.000 1.642 787 T HN 0.188 8.409 8.240 -0.031 0.000 0.587 788 N N 1.166 119.854 118.700 -0.021 0.000 2.412 788 N HA -0.338 4.464 4.740 0.102 0.000 0.258 788 N C 1.130 176.683 175.510 0.073 0.000 1.236 788 N CA 2.323 55.400 53.050 0.045 0.000 0.882 788 N CB -0.122 38.360 38.487 -0.008 0.000 1.066 788 N HN 0.316 8.657 8.380 -0.066 0.000 0.465 789 G N 1.701 110.561 108.800 0.100 0.000 2.143 789 G HA2 -0.419 3.606 3.960 0.108 0.000 0.248 789 G HA3 -0.419 3.575 3.960 0.056 0.000 0.248 789 G C -0.244 174.714 174.900 0.097 0.000 0.991 789 G CA 0.362 45.510 45.100 0.080 0.000 0.689 789 G HN 0.660 9.037 8.290 0.146 0.000 0.522 790 H N -4.401 114.652 119.070 -0.028 0.000 2.692 790 H HA -0.529 3.948 4.556 -0.242 -0.066 0.316 790 H C -0.983 174.355 175.328 0.017 0.000 1.176 790 H CA 1.275 57.225 56.048 -0.164 0.000 1.142 790 H CB -2.613 26.986 29.762 -0.272 0.000 1.475 790 H HN -0.317 7.813 8.280 -0.191 0.035 0.423 791 V N -1.791 118.174 119.914 0.084 0.000 2.465 791 V HA -0.074 4.128 4.120 0.135 0.000 0.279 791 V C -1.187 174.943 176.094 0.060 0.000 1.045 791 V CA -0.628 61.726 62.300 0.090 0.000 0.938 791 V CB 1.235 33.088 31.823 0.050 0.000 0.986 791 V HN -0.843 7.379 8.190 0.054 0.000 0.467 792 A N 8.237 131.117 122.820 0.101 0.000 2.363 792 A HA 0.575 5.087 4.320 -0.022 -0.206 0.270 792 A C -1.083 176.540 177.584 0.066 0.000 1.121 792 A CA -1.187 50.881 52.037 0.051 0.000 0.800 792 A CB 1.286 20.346 19.000 0.101 0.000 1.052 792 A HN 0.072 8.554 8.150 0.160 -0.236 0.493 793 K N 2.271 122.705 120.400 0.057 0.000 2.471 793 K HA 0.804 5.341 4.320 0.092 -0.162 0.252 793 K C -0.814 175.883 176.600 0.162 0.000 0.938 793 K CA -1.665 54.679 56.287 0.096 0.000 0.796 793 K CB 3.810 36.360 32.500 0.082 0.000 1.161 793 K HN 0.134 8.405 8.250 0.035 0.000 0.425 794 I N 0.423 121.093 120.570 0.166 0.000 2.566 794 I HA 0.781 5.221 4.170 0.237 -0.128 0.303 794 I C -1.573 174.741 176.117 0.329 0.000 0.983 794 I CA -2.384 59.045 61.300 0.215 0.000 1.235 794 I CB 2.774 40.830 38.000 0.093 0.000 1.386 794 I HN 0.283 8.569 8.210 0.127 0.000 0.494 795 G N 2.641 111.603 108.800 0.271 0.000 2.561 795 G HA2 0.178 4.373 3.960 0.392 0.000 0.310 795 G HA3 0.178 3.978 3.960 -0.266 0.000 0.310 795 G C -3.044 171.611 174.900 -0.408 0.000 1.292 795 G CA 0.022 45.120 45.100 -0.004 0.000 0.811 795 G HN -0.305 8.106 8.290 0.201 0.000 0.482 796 D N -0.422 119.438 120.400 -0.900 0.000 2.549 796 D HA 0.252 4.597 4.640 -0.492 0.000 0.251 796 D C -1.461 174.409 176.300 -0.716 0.000 1.153 796 D CA -0.958 52.630 54.000 -0.687 0.000 0.861 796 D CB 1.209 41.709 40.800 -0.500 0.000 1.207 796 D HN 0.092 7.923 8.370 -0.899 0.000 0.543 797 F N 3.346 123.317 119.950 0.035 0.000 2.850 797 F HA 0.300 4.813 4.527 -0.023 0.000 0.329 797 F C 0.758 176.560 175.800 0.003 0.000 1.182 797 F CA -1.556 56.446 58.000 0.003 0.000 1.270 797 F CB 0.076 39.081 39.000 0.009 0.000 0.979 797 F HN -0.451 7.843 8.300 -0.286 -0.166 0.506 798 G N 1.029 109.882 108.800 0.089 0.000 2.471 798 G HA2 -0.237 3.725 3.960 0.003 0.000 0.219 798 G HA3 -0.237 3.726 3.960 0.005 0.000 0.219 798 G C 0.759 175.704 174.900 0.076 0.000 1.125 798 G CA 1.813 46.938 45.100 0.042 0.000 0.775 798 G HN 0.021 8.597 8.290 0.031 -0.268 0.548 799 L N -0.142 121.138 121.223 0.094 0.000 2.201 799 L HA -0.210 4.029 4.340 -0.168 0.000 0.212 799 L C -0.011 176.825 176.870 -0.057 0.000 1.105 799 L CA 1.399 56.178 54.840 -0.102 0.000 0.775 799 L CB -0.169 41.710 42.059 -0.299 0.000 0.913 799 L HN 0.031 8.308 8.230 0.126 0.028 0.440 800 A N -6.859 115.966 122.820 0.008 0.000 2.387 800 A HA 0.124 4.511 4.320 -0.027 -0.083 0.234 800 A C -1.563 176.031 177.584 0.016 0.000 1.253 800 A CA -0.873 51.164 52.037 -0.000 0.000 0.894 800 A CB 0.572 19.572 19.000 0.001 0.000 0.963 800 A HN -0.658 7.490 8.150 0.055 0.035 0.508 801 R N -4.841 115.677 120.500 0.029 0.000 2.869 801 R HA 0.329 4.684 4.340 0.025 0.000 0.263 801 R C -2.031 174.281 176.300 0.021 0.000 1.066 801 R CA -1.757 54.360 56.100 0.028 0.000 0.960 801 R CB 2.016 32.342 30.300 0.044 0.000 1.221 801 R HN -0.888 7.354 8.270 0.031 0.047 0.474 802 D N -0.317 120.097 120.400 0.023 0.000 2.485 802 D HA 0.214 4.882 4.640 0.045 0.000 0.221 802 D C -0.069 176.229 176.300 -0.003 0.000 1.112 802 D CA -1.156 52.861 54.000 0.029 0.000 0.911 802 D CB -0.736 40.087 40.800 0.039 0.000 1.019 802 D HN 0.246 8.634 8.370 0.030 0.000 0.516 803 I N 4.697 125.217 120.570 -0.083 0.000 2.546 803 I HA -0.280 3.744 4.170 -0.242 0.000 0.255 803 I C 1.371 177.448 176.117 -0.066 0.000 1.163 803 I CA 1.816 62.979 61.300 -0.229 0.000 1.457 803 I CB 0.450 38.131 38.000 -0.530 0.000 1.092 803 I HN 0.098 8.262 8.210 -0.078 0.000 0.434 804 M N -3.037 116.568 119.600 0.009 0.000 2.279 804 M HA -0.312 4.200 4.480 0.053 0.000 0.264 804 M C -0.007 176.331 176.300 0.063 0.000 1.062 804 M CA 2.002 57.337 55.300 0.058 0.000 1.099 804 M CB -0.635 32.029 32.600 0.107 0.000 1.394 804 M HN -0.450 7.925 8.290 0.029 -0.067 0.426 805 N N -2.739 115.997 118.700 0.059 0.000 2.598 805 N HA 0.186 4.965 4.740 0.064 0.000 0.309 805 N C -1.544 174.014 175.510 0.080 0.000 1.645 805 N CA -0.484 52.604 53.050 0.063 0.000 0.936 805 N CB 0.477 38.994 38.487 0.050 0.000 1.323 805 N HN -0.694 7.812 8.380 0.051 -0.094 0.497 806 D N -0.496 119.971 120.400 0.113 0.000 2.620 806 D HA 0.263 4.986 4.640 0.138 0.000 0.252 806 D C 0.468 176.885 176.300 0.195 0.000 1.207 806 D CA -1.330 52.770 54.000 0.167 0.000 0.884 806 D CB 2.297 43.234 40.800 0.229 0.000 1.262 806 D HN -0.884 7.557 8.370 0.117 0.000 0.552 807 S N 6.550 122.335 115.700 0.142 0.000 2.507 807 S HA -0.175 4.354 4.470 0.099 0.000 0.235 807 S C 0.643 175.309 174.600 0.111 0.000 0.988 807 S CA 1.888 60.153 58.200 0.109 0.000 0.944 807 S CB -0.175 63.071 63.200 0.077 0.000 0.762 807 S HN 0.496 8.882 8.310 0.126 0.000 0.526 808 N N -0.452 118.329 118.700 0.135 0.000 2.457 808 N HA 0.030 4.846 4.740 0.127 0.000 0.180 808 N C -0.984 174.458 175.510 -0.113 0.000 1.050 808 N CA 1.495 54.582 53.050 0.061 0.000 0.906 808 N CB 1.000 39.484 38.487 -0.005 0.000 0.968 808 N HN -0.674 8.022 8.380 0.170 -0.214 0.445 809 Y N -2.105 118.240 120.300 0.075 0.000 2.335 809 Y HA 0.134 4.889 4.550 0.076 -0.160 0.338 809 Y C -1.027 174.906 175.900 0.055 0.000 0.977 809 Y CA -0.329 57.808 58.100 0.061 0.000 1.114 809 Y CB 1.402 39.884 38.460 0.037 0.000 1.182 809 Y HN -0.514 7.805 8.280 0.307 0.145 0.463 810 I N 1.312 121.987 120.570 0.175 0.000 2.396 810 I HA 0.109 4.339 4.170 0.100 0.000 0.292 810 I C 0.614 176.798 176.117 0.111 0.000 0.999 810 I CA -2.607 58.762 61.300 0.115 0.000 1.310 810 I CB 1.194 39.246 38.000 0.087 0.000 1.404 810 I HN 0.126 8.436 8.210 0.168 0.000 0.496 811 V N 8.170 128.135 119.914 0.085 0.000 2.054 811 V HA -0.178 3.985 4.120 0.071 0.000 0.243 811 V C -0.552 175.576 176.094 0.058 0.000 1.480 811 V CA 0.485 62.826 62.300 0.068 0.000 1.440 811 V CB -1.842 30.015 31.823 0.057 0.000 1.489 811 V HN 0.330 8.567 8.190 0.078 0.000 0.502 812 K N 6.679 127.114 120.400 0.059 0.000 2.265 812 K HA 0.031 4.374 4.320 0.039 0.000 0.242 812 K C -0.890 175.731 176.600 0.034 0.000 1.137 812 K CA -0.738 55.575 56.287 0.043 0.000 1.082 812 K CB -1.549 30.975 32.500 0.040 0.000 1.731 812 K HN -0.287 7.960 8.250 0.069 0.044 0.392 816 R N 0.315 120.845 120.500 0.050 0.000 2.310 816 R HA 0.673 5.320 4.340 0.129 -0.230 0.324 816 R C -0.980 175.456 176.300 0.228 0.000 0.955 816 R CA -2.000 54.174 56.100 0.123 0.000 0.830 816 R CB 0.511 30.854 30.300 0.073 0.000 1.154 816 R HN 0.078 8.359 8.270 0.020 0.000 0.458 817 L N 4.053 125.413 121.223 0.228 0.000 2.333 817 L HA 0.571 5.048 4.340 0.228 0.000 0.280 817 L C -1.751 175.207 176.870 0.146 0.000 1.004 817 L CA -3.425 51.538 54.840 0.206 0.000 0.820 817 L CB 2.249 44.399 42.059 0.151 0.000 1.247 817 L HN -0.386 7.962 8.230 0.197 0.000 0.416 818 P HA 0.390 4.897 4.420 -0.248 -0.236 0.238 818 P C 0.523 177.955 177.300 0.220 0.000 1.794 818 P CA -1.259 61.794 63.100 -0.078 0.000 1.088 818 P CB -1.217 30.320 31.700 -0.272 0.000 1.923 819 V N 3.320 123.333 119.914 0.165 0.000 2.490 819 V HA -0.415 3.807 4.120 0.170 0.000 0.250 819 V C 1.731 177.944 176.094 0.199 0.000 1.061 819 V CA 3.253 65.651 62.300 0.163 0.000 1.064 819 V CB -0.212 31.671 31.823 0.101 0.000 0.670 819 V HN -0.400 7.854 8.190 0.107 0.000 0.461 820 K N -3.060 117.443 120.400 0.171 0.000 2.442 820 K HA -0.234 4.102 4.320 0.027 0.000 0.198 820 K C 0.081 176.740 176.600 0.099 0.000 1.042 820 K CA 2.503 58.806 56.287 0.027 0.000 0.958 820 K CB -0.523 31.821 32.500 -0.260 0.000 0.766 820 K HN 0.125 8.502 8.250 0.212 0.000 0.474 821 W N -5.325 116.112 121.300 0.230 0.000 3.103 821 W HA 0.159 5.059 4.660 0.400 0.000 0.325 821 W C -1.669 175.065 176.519 0.359 0.000 1.170 821 W CA -0.487 57.048 57.345 0.317 0.000 1.712 821 W CB 1.512 31.103 29.460 0.218 0.000 1.068 821 W HN -0.529 7.907 8.180 0.690 0.158 0.592 822 M N -1.952 117.878 119.600 0.383 0.000 2.216 822 M HA 0.067 4.668 4.480 0.203 0.000 0.356 822 M C -0.170 175.946 176.300 -0.306 0.000 1.205 822 M CA -0.130 55.248 55.300 0.131 0.000 1.122 822 M CB 1.356 34.000 32.600 0.074 0.000 1.571 822 M HN -0.911 7.468 8.290 0.345 0.118 0.464 823 A N 4.323 126.793 122.820 -0.584 0.000 2.448 823 A HA 0.063 2.783 4.320 -2.666 0.000 0.239 823 A C -0.739 176.366 177.584 -0.798 0.000 1.080 823 A CA -1.244 50.035 52.037 -1.264 0.000 0.779 823 A CB -1.152 17.486 19.000 -0.603 0.000 1.026 823 A HN 0.259 8.244 8.150 -0.275 0.000 0.499 824 P HA -0.342 3.919 4.420 -0.265 0.000 0.215 824 P C 0.654 177.883 177.300 -0.117 0.000 1.157 824 P CA 2.550 65.467 63.100 -0.306 0.000 0.874 824 P CB 0.024 31.626 31.700 -0.164 0.000 0.790 825 E N -4.892 115.214 120.200 -0.156 0.000 2.204 825 E HA -0.308 4.043 4.350 0.001 0.000 0.195 825 E C 1.738 178.204 176.600 -0.224 0.000 0.990 825 E CA 2.813 59.151 56.400 -0.103 0.000 0.821 825 E CB -1.810 27.830 29.700 -0.100 0.000 0.750 825 E HN 0.532 8.765 8.360 -0.212 0.000 0.477 826 S N 0.066 115.537 115.700 -0.381 0.000 2.406 826 S HA -0.102 4.111 4.470 -0.752 -0.193 0.228 826 S C 1.647 175.992 174.600 -0.426 0.000 1.020 826 S CA 2.814 60.650 58.200 -0.608 0.000 0.965 826 S CB -0.180 62.567 63.200 -0.754 0.000 0.798 826 S HN -0.508 7.550 8.310 -0.381 0.023 0.488 827 I N -0.020 120.296 120.570 -0.423 0.000 2.716 827 I HA -0.292 3.634 4.170 -0.406 0.000 0.259 827 I C 1.103 176.814 176.117 -0.677 0.000 1.172 827 I CA 2.986 63.947 61.300 -0.565 0.000 1.478 827 I CB 0.135 37.675 38.000 -0.766 0.000 1.104 827 I HN -0.615 7.212 8.210 -0.424 0.129 0.439 828 F N -2.455 117.375 119.950 -0.200 0.000 2.514 828 F HA -0.029 4.384 4.527 -0.190 0.000 0.281 828 F C 1.059 176.776 175.800 -0.138 0.000 1.060 828 F CA 1.997 59.892 58.000 -0.175 0.000 1.397 828 F CB 0.664 39.570 39.000 -0.158 0.000 1.129 828 F HN -0.517 7.654 8.300 -0.215 0.000 0.620 829 D N -2.596 117.826 120.400 0.037 0.000 2.395 829 D HA 0.157 4.803 4.640 0.009 0.000 0.213 829 D C -0.266 176.003 176.300 -0.052 0.000 1.110 829 D CA 0.281 54.276 54.000 -0.007 0.000 0.835 829 D CB 0.626 41.419 40.800 -0.011 0.000 0.965 829 D HN -0.256 8.018 8.370 0.013 0.104 0.505 830 C N -3.618 115.618 119.300 -0.108 0.000 4.184 830 C HA -0.483 4.057 4.460 -0.169 -0.181 0.295 830 C C -0.514 174.403 174.990 -0.121 0.000 1.477 830 C CA 0.634 59.591 59.018 -0.101 0.000 2.037 830 C CB -2.142 25.613 27.740 0.025 0.000 1.282 830 C HN -0.306 7.788 8.230 -0.134 0.056 0.783 831 V N 0.403 120.188 119.914 -0.214 0.000 2.461 831 V HA -0.123 3.987 4.120 -0.017 0.000 0.275 831 V C -1.724 174.183 176.094 -0.312 0.000 1.047 831 V CA 0.428 62.644 62.300 -0.140 0.000 0.955 831 V CB 0.607 32.380 31.823 -0.084 0.000 0.988 831 V HN -0.879 7.138 8.190 -0.221 0.040 0.471 832 Y N 5.432 125.740 120.300 0.013 0.000 2.409 832 Y HA 0.321 4.889 4.550 0.031 0.000 0.343 832 Y C -0.327 175.592 175.900 0.032 0.000 0.973 832 Y CA -0.996 57.120 58.100 0.026 0.000 1.064 832 Y CB 2.849 41.325 38.460 0.028 0.000 1.207 832 Y HN 0.250 8.673 8.280 0.238 0.000 0.452 833 T N -1.529 113.134 114.554 0.182 0.000 2.671 833 T HA 0.166 4.591 4.350 0.125 0.000 0.300 833 T C -0.444 174.345 174.700 0.149 0.000 1.238 833 T CA -2.362 59.817 62.100 0.132 0.000 1.020 833 T CB 2.120 71.039 68.868 0.085 0.000 1.503 833 T HN -0.404 7.943 8.240 0.178 0.000 0.497 834 V N -0.744 119.248 119.914 0.130 0.000 2.490 834 V HA -0.414 3.830 4.120 0.207 0.000 0.250 834 V C 1.276 177.491 176.094 0.201 0.000 1.061 834 V CA 3.342 65.752 62.300 0.183 0.000 1.064 834 V CB 0.032 31.951 31.823 0.161 0.000 0.670 834 V HN 0.200 8.452 8.190 0.105 0.000 0.461 835 Q N -2.716 117.155 119.800 0.119 0.000 2.311 835 Q HA -0.140 4.211 4.340 0.020 0.000 0.203 835 Q C 2.883 178.976 176.000 0.155 0.000 0.954 835 Q CA 1.573 57.425 55.803 0.082 0.000 0.885 835 Q CB -0.803 27.968 28.738 0.055 0.000 0.963 835 Q HN -0.489 7.826 8.270 0.102 0.016 0.471 836 S N 1.384 117.186 115.700 0.170 0.000 2.368 836 S HA -0.262 4.309 4.470 0.169 0.000 0.225 836 S C 1.551 176.341 174.600 0.316 0.000 1.030 836 S CA 3.491 61.809 58.200 0.196 0.000 0.999 836 S CB -0.458 62.833 63.200 0.151 0.000 0.844 836 S HN -0.639 7.639 8.310 0.150 0.122 0.459 837 D N 1.239 121.837 120.400 0.330 0.000 2.178 837 D HA -0.189 4.692 4.640 0.400 0.000 0.201 837 D C 2.313 178.914 176.300 0.501 0.000 0.980 837 D CA 3.217 57.472 54.000 0.426 0.000 0.842 837 D CB -0.445 40.620 40.800 0.441 0.000 0.948 837 D HN -0.805 7.744 8.370 0.297 0.000 0.472 838 V N -0.059 120.017 119.914 0.270 0.000 2.295 838 V HA -0.493 3.524 4.120 -0.172 0.000 0.246 838 V C 1.408 177.659 176.094 0.262 0.000 1.049 838 V CA 3.888 66.183 62.300 -0.010 0.000 1.024 838 V CB -0.250 31.401 31.823 -0.287 0.000 0.648 838 V HN -0.924 7.264 8.190 0.200 0.122 0.447 839 W N 0.582 121.990 121.300 0.180 0.000 2.317 839 W HA -0.338 4.689 4.660 0.335 -0.166 0.318 839 W C 1.640 178.405 176.519 0.410 0.000 1.227 839 W CA 3.379 60.910 57.345 0.309 0.000 1.269 839 W CB -0.303 29.324 29.460 0.278 0.000 1.155 839 W HN -0.625 7.848 8.180 0.487 0.000 0.484 840 S N -1.512 114.638 115.700 0.751 0.000 2.399 840 S HA -0.328 4.713 4.470 0.778 -0.104 0.231 840 S C 2.133 177.058 174.600 0.542 0.000 1.022 840 S CA 3.233 61.840 58.200 0.679 0.000 0.983 840 S CB -0.654 62.891 63.200 0.576 0.000 0.803 840 S HN -0.616 8.119 8.310 0.708 0.000 0.480 841 Y N 2.259 122.774 120.300 0.358 0.000 2.352 841 Y HA -0.324 4.407 4.550 0.302 0.000 0.292 841 Y C 1.550 177.562 175.900 0.185 0.000 1.136 841 Y CA 2.643 60.916 58.100 0.288 0.000 1.227 841 Y CB -0.273 38.394 38.460 0.344 0.000 0.991 841 Y HN 0.046 8.574 8.280 0.596 0.110 0.545 842 G N -0.151 108.712 108.800 0.105 0.000 2.421 842 G HA2 -0.373 3.349 3.960 -0.398 0.000 0.216 842 G HA3 -0.373 3.287 3.960 -0.552 -0.031 0.216 842 G C 1.167 176.159 174.900 0.154 0.000 1.171 842 G CA 2.099 47.058 45.100 -0.235 0.000 0.775 842 G HN -0.450 7.843 8.290 0.204 0.120 0.543 843 I N 1.723 122.575 120.570 0.470 0.000 2.361 843 I HA -0.355 4.109 4.170 0.491 0.000 0.251 843 I C 1.570 177.907 176.117 0.368 0.000 1.133 843 I CA 1.678 63.213 61.300 0.392 0.000 1.413 843 I CB -1.048 37.023 38.000 0.119 0.000 1.073 843 I HN -0.628 7.873 8.210 0.485 0.000 0.424 844 L N 0.970 122.383 121.223 0.317 0.000 2.056 844 L HA -0.225 4.543 4.340 0.403 -0.187 0.207 844 L C 2.190 179.141 176.870 0.135 0.000 1.078 844 L CA 2.816 57.815 54.840 0.265 0.000 0.749 844 L CB 0.028 42.190 42.059 0.172 0.000 0.901 844 L HN -0.487 7.813 8.230 0.292 0.104 0.433 845 L N -1.553 119.645 121.223 -0.042 0.000 2.013 845 L HA -0.449 3.927 4.340 0.060 0.000 0.212 845 L C 2.139 179.186 176.870 0.294 0.000 1.073 845 L CA 3.311 58.181 54.840 0.049 0.000 0.753 845 L CB -0.437 41.563 42.059 -0.098 0.000 0.890 845 L HN -0.121 7.995 8.230 -0.190 0.000 0.432 846 W N -0.890 120.499 121.300 0.148 0.000 2.363 846 W HA -0.381 4.414 4.660 0.224 0.000 0.296 846 W C 1.787 178.415 176.519 0.180 0.000 1.212 846 W CA 3.776 61.241 57.345 0.200 0.000 1.260 846 W CB 0.104 29.702 29.460 0.230 0.000 1.131 846 W HN -0.532 7.846 8.180 0.469 0.084 0.530 847 E N -1.329 119.110 120.200 0.398 0.000 2.077 847 E HA -0.431 4.052 4.350 0.222 0.000 0.193 847 E C 2.457 179.102 176.600 0.074 0.000 0.989 847 E CA 2.760 59.310 56.400 0.251 0.000 0.800 847 E CB -0.080 29.836 29.700 0.359 0.000 0.746 847 E HN -0.719 7.839 8.360 0.473 0.085 0.452 848 I N -0.899 119.718 120.570 0.077 0.000 2.252 848 I HA -0.381 3.768 4.170 -0.036 0.000 0.245 848 I C 2.478 178.473 176.117 -0.204 0.000 1.102 848 I CA 3.786 65.049 61.300 -0.062 0.000 1.385 848 I CB 0.308 38.244 38.000 -0.107 0.000 1.064 848 I HN -0.473 7.819 8.210 0.136 0.000 0.414 849 F N -3.920 116.011 119.950 -0.033 0.000 2.765 849 F HA -0.024 4.518 4.527 0.025 0.000 0.302 849 F C -0.600 175.163 175.800 -0.062 0.000 1.111 849 F CA 0.968 58.954 58.000 -0.022 0.000 1.359 849 F CB 0.084 39.074 39.000 -0.016 0.000 1.097 849 F HN -0.445 7.976 8.300 0.203 0.000 0.577 850 S N -1.683 113.945 115.700 -0.121 0.000 2.568 850 S HA 0.032 4.451 4.470 -0.086 0.000 0.232 850 S C 0.121 174.689 174.600 -0.054 0.000 0.975 850 S CA -1.299 56.764 58.200 -0.227 0.000 0.949 850 S CB -0.296 62.391 63.200 -0.855 0.000 0.829 850 S HN -0.551 7.606 8.310 -0.179 0.046 0.479 851 L N -1.790 119.410 121.223 -0.037 0.000 3.858 851 L HA -0.435 3.846 4.340 -0.099 0.000 0.425 851 L C -0.126 176.727 176.870 -0.028 0.000 1.177 851 L CA 1.160 55.957 54.840 -0.073 0.000 0.943 851 L CB -2.980 38.998 42.059 -0.134 0.000 1.861 851 L HN -0.631 7.493 8.230 -0.046 0.079 0.985 852 G N -5.950 102.845 108.800 -0.008 0.000 2.141 852 G HA2 -0.406 3.665 3.960 0.102 0.000 0.164 852 G HA3 -0.406 3.590 3.960 0.060 0.000 0.164 852 G C -0.683 174.281 174.900 0.107 0.000 1.009 852 G CA -0.642 44.497 45.100 0.065 0.000 0.677 852 G HN 0.011 8.231 8.290 -0.041 0.046 0.508 853 L N -1.366 119.901 121.223 0.073 0.000 2.473 853 L HA -0.161 4.270 4.340 0.151 0.000 0.268 853 L C -0.484 176.593 176.870 0.345 0.000 1.215 853 L CA 0.071 55.014 54.840 0.172 0.000 0.823 853 L CB 0.344 42.483 42.059 0.133 0.000 1.099 853 L HN -0.977 7.233 8.230 -0.033 0.000 0.483 854 N N 0.465 119.346 118.700 0.301 0.000 2.497 854 N HA 0.022 4.949 4.740 0.312 0.000 0.268 854 N C -1.731 173.915 175.510 0.228 0.000 1.171 854 N CA -1.760 51.455 53.050 0.274 0.000 0.948 854 N CB 0.828 39.431 38.487 0.192 0.000 1.069 854 N HN 0.106 8.630 8.380 0.241 0.000 0.460 855 P HA -0.118 3.786 4.420 -0.859 0.000 0.268 855 P C -0.805 176.333 177.300 -0.271 0.000 1.208 855 P CA 0.650 63.474 63.100 -0.460 0.000 0.777 855 P CB 0.491 31.791 31.700 -0.667 0.000 0.875 856 Y N -5.329 114.675 120.300 -0.492 0.000 2.980 856 Y HA -0.387 4.042 4.550 -0.201 0.000 0.199 856 Y C -2.222 173.611 175.900 -0.111 0.000 1.319 856 Y CA -0.197 57.767 58.100 -0.227 0.000 0.877 856 Y CB -2.228 36.168 38.460 -0.106 0.000 1.259 856 Y HN -0.167 7.340 8.280 -1.289 0.000 0.437 857 P HA -0.093 4.381 4.420 0.090 0.000 0.267 857 P C 0.796 178.137 177.300 0.069 0.000 1.209 857 P CA 0.877 64.031 63.100 0.091 0.000 0.763 857 P CB -0.132 31.658 31.700 0.151 0.000 0.816 858 G N 2.919 111.746 108.800 0.045 0.000 2.159 858 G HA2 -0.388 3.583 3.960 0.018 0.000 0.256 858 G HA3 -0.388 3.590 3.960 0.031 0.000 0.256 858 G C -0.725 174.175 174.900 0.001 0.000 0.977 858 G CA -0.050 45.065 45.100 0.024 0.000 0.652 858 G HN 0.393 8.708 8.290 0.042 0.000 0.531 859 I N 1.442 122.009 120.570 -0.006 0.000 2.339 859 I HA 0.121 4.264 4.170 -0.045 0.000 0.290 859 I C -0.840 175.192 176.117 -0.141 0.000 0.994 859 I CA -0.810 60.465 61.300 -0.042 0.000 1.191 859 I CB 0.743 38.752 38.000 0.015 0.000 1.343 859 I HN -0.445 7.719 8.210 0.012 0.053 0.458 860 L N 5.896 127.028 121.223 -0.152 0.000 2.417 860 L HA 0.053 4.265 4.340 -0.213 0.000 0.268 860 L C -0.222 176.413 176.870 -0.392 0.000 1.158 860 L CA -0.662 54.049 54.840 -0.216 0.000 0.819 860 L CB 0.712 42.691 42.059 -0.133 0.000 1.112 860 L HN 0.281 8.445 8.230 -0.110 0.000 0.458 861 V N 3.409 123.034 119.914 -0.480 0.000 2.397 861 V HA -0.162 3.341 4.120 -1.028 0.000 0.262 861 V C -1.137 174.740 176.094 -0.363 0.000 1.047 861 V CA 1.380 63.294 62.300 -0.644 0.000 1.003 861 V CB -0.354 31.155 31.823 -0.524 0.000 1.037 861 V HN 0.265 8.227 8.190 -0.381 0.000 0.480 862 N N 5.889 124.364 118.700 -0.374 0.000 3.496 862 N HA 0.134 4.826 4.740 -0.081 0.000 0.331 862 N C -0.580 174.840 175.510 -0.150 0.000 1.532 862 N CA -0.671 52.277 53.050 -0.170 0.000 0.863 862 N CB 0.745 39.186 38.487 -0.076 0.000 1.927 862 N HN -0.546 7.572 8.380 -0.437 0.000 0.529 863 S N 0.098 115.842 115.700 0.073 0.000 2.368 863 S HA -0.363 4.367 4.470 0.434 0.000 0.225 863 S C 1.557 176.219 174.600 0.103 0.000 1.030 863 S CA 3.975 62.294 58.200 0.199 0.000 0.999 863 S CB -0.263 63.024 63.200 0.145 0.000 0.844 863 S HN 0.335 8.687 8.310 0.069 0.000 0.459 864 K N 1.103 121.512 120.400 0.017 0.000 2.147 864 K HA -0.299 4.015 4.320 -0.009 0.000 0.205 864 K C 2.151 178.709 176.600 -0.071 0.000 1.049 864 K CA 2.666 58.941 56.287 -0.021 0.000 0.936 864 K CB -0.420 32.057 32.500 -0.038 0.000 0.722 864 K HN -0.698 7.652 8.250 0.005 -0.097 0.446 865 F N 1.289 121.064 119.950 -0.292 0.000 2.146 865 F HA -0.387 3.910 4.527 -0.383 0.000 0.298 865 F C 1.107 176.708 175.800 -0.331 0.000 1.096 865 F CA 3.471 61.219 58.000 -0.420 0.000 1.275 865 F CB 0.236 38.871 39.000 -0.608 0.000 1.008 865 F HN -0.774 7.581 8.300 -0.041 -0.081 0.480 866 Y N -3.033 117.232 120.300 -0.059 0.000 2.224 866 Y HA -0.592 3.839 4.550 -0.198 0.000 0.289 866 Y C 2.187 178.089 175.900 0.004 0.000 1.146 866 Y CA 3.221 61.295 58.100 -0.042 0.000 1.182 866 Y CB -0.330 38.215 38.460 0.142 0.000 0.983 866 Y HN -0.705 7.420 8.280 -0.259 0.000 0.524 867 K N -1.675 118.786 120.400 0.102 0.000 2.147 867 K HA -0.317 4.026 4.320 0.038 0.000 0.205 867 K C 1.885 178.446 176.600 -0.065 0.000 1.049 867 K CA 3.141 59.440 56.287 0.019 0.000 0.936 867 K CB -0.365 32.137 32.500 0.003 0.000 0.722 867 K HN -0.701 7.609 8.250 0.100 0.000 0.446 868 L N -1.812 119.300 121.223 -0.184 0.000 1.988 868 L HA -0.295 3.966 4.340 -0.133 0.000 0.207 868 L C 1.816 178.616 176.870 -0.116 0.000 1.071 868 L CA 2.933 57.641 54.840 -0.220 0.000 0.744 868 L CB -0.135 41.641 42.059 -0.472 0.000 0.893 868 L HN -0.858 7.093 8.230 -0.247 0.130 0.433 869 V N -4.874 114.886 119.914 -0.256 0.000 2.667 869 V HA -0.244 3.916 4.120 0.065 0.000 0.252 869 V C 2.479 178.597 176.094 0.040 0.000 1.065 869 V CA 2.769 65.025 62.300 -0.074 0.000 1.083 869 V CB -0.022 31.670 31.823 -0.218 0.000 0.692 869 V HN -0.654 7.243 8.190 -0.489 0.000 0.468 870 K N 0.242 120.659 120.400 0.028 0.000 2.097 870 K HA -0.265 4.080 4.320 0.041 0.000 0.206 870 K C 1.305 177.903 176.600 -0.004 0.000 1.049 870 K CA 2.397 58.697 56.287 0.021 0.000 0.933 870 K CB -0.149 32.317 32.500 -0.057 0.000 0.717 870 K HN -0.520 7.724 8.250 0.012 0.013 0.442 871 D N -3.332 117.071 120.400 0.004 0.000 2.340 871 D HA 0.048 4.684 4.640 -0.007 0.000 0.220 871 D C 0.139 176.466 176.300 0.045 0.000 1.039 871 D CA -0.023 53.983 54.000 0.010 0.000 0.866 871 D CB 0.571 41.373 40.800 0.003 0.000 0.913 871 D HN -0.628 7.619 8.370 0.001 0.123 0.523 872 G N -3.360 105.487 108.800 0.079 0.000 2.179 872 G HA2 -0.400 3.625 3.960 0.108 0.000 0.220 872 G HA3 -0.400 3.596 3.960 0.059 0.000 0.220 872 G C -0.282 174.668 174.900 0.082 0.000 0.990 872 G CA -0.309 44.842 45.100 0.086 0.000 0.646 872 G HN -0.793 7.386 8.290 0.089 0.164 0.517 873 Y N 3.507 123.797 120.300 -0.016 0.000 2.810 873 Y HA -0.294 4.242 4.550 -0.023 0.000 0.332 873 Y C -1.118 174.747 175.900 -0.059 0.000 1.243 873 Y CA 1.551 59.630 58.100 -0.034 0.000 1.537 873 Y CB 0.517 38.942 38.460 -0.057 0.000 1.265 873 Y HN -0.570 7.834 8.280 0.207 0.000 0.572 874 Q N 6.306 125.639 119.800 -0.778 0.000 2.423 874 Q HA 0.297 4.252 4.340 -0.642 0.000 0.278 874 Q C -0.960 174.498 176.000 -0.904 0.000 1.097 874 Q CA -2.076 53.321 55.803 -0.677 0.000 0.809 874 Q CB 3.220 31.805 28.738 -0.255 0.000 1.391 874 Q HN 0.044 7.753 8.270 -0.935 0.000 0.428 875 M N 1.782 120.901 119.600 -0.802 0.000 2.243 875 M HA -0.105 4.060 4.480 -0.525 0.000 0.341 875 M C 0.651 176.896 176.300 -0.091 0.000 1.130 875 M CA 0.609 55.555 55.300 -0.590 0.000 1.162 875 M CB 0.830 32.767 32.600 -1.105 0.000 1.497 875 M HN 0.169 7.817 8.290 -1.070 0.000 0.456 876 A N 1.883 124.704 122.820 0.002 0.000 2.332 876 A HA 0.141 4.494 4.320 0.054 0.000 0.258 876 A C -0.431 177.183 177.584 0.050 0.000 1.087 876 A CA -0.833 51.233 52.037 0.047 0.000 0.802 876 A CB 0.744 19.743 19.000 -0.001 0.000 1.042 876 A HN 0.270 8.405 8.150 -0.025 0.000 0.489 877 Q N 0.882 120.384 119.800 -0.496 0.000 2.263 877 Q HA -0.127 3.592 4.340 -1.034 0.000 0.289 877 Q C -1.423 174.410 176.000 -0.279 0.000 1.061 877 Q CA -1.021 54.291 55.803 -0.819 0.000 0.927 877 Q CB 0.145 28.225 28.738 -1.098 0.000 1.154 877 Q HN 0.337 8.256 8.270 -0.586 0.000 0.378 878 P HA 0.058 4.297 4.420 -0.302 0.000 0.269 878 P C -0.249 176.907 177.300 -0.239 0.000 1.215 878 P CA -0.474 62.457 63.100 -0.282 0.000 0.780 878 P CB 0.648 32.130 31.700 -0.363 0.000 0.898 879 A N 1.089 123.731 122.820 -0.296 0.000 1.933 879 A HA -0.136 3.973 4.320 -0.351 0.000 0.218 879 A C 0.475 177.794 177.584 -0.443 0.000 1.175 879 A CA 2.260 54.031 52.037 -0.443 0.000 0.628 879 A CB -0.052 18.535 19.000 -0.689 0.000 0.814 879 A HN 0.281 8.252 8.150 -0.299 0.000 0.444 880 F N -4.707 115.222 119.950 -0.034 0.000 2.765 880 F HA -0.032 4.508 4.527 0.023 0.000 0.302 880 F C -0.645 175.235 175.800 0.133 0.000 1.111 880 F CA -0.233 57.798 58.000 0.052 0.000 1.359 880 F CB 0.379 39.424 39.000 0.074 0.000 1.097 880 F HN -0.915 7.368 8.300 -0.029 0.000 0.577 881 A N 1.222 124.105 122.820 0.104 0.000 2.366 881 A HA 0.194 4.248 4.320 -0.444 0.000 0.272 881 A C -2.337 175.139 177.584 -0.180 0.000 1.135 881 A CA -1.785 50.130 52.037 -0.204 0.000 0.804 881 A CB -0.578 18.259 19.000 -0.271 0.000 1.064 881 A HN -0.722 7.385 8.150 0.016 0.052 0.499 882 P HA 0.162 4.538 4.420 -0.074 0.000 0.275 882 P C 0.260 177.500 177.300 -0.100 0.000 1.266 882 P CA -1.014 62.015 63.100 -0.119 0.000 0.793 882 P CB 1.216 32.861 31.700 -0.093 0.000 1.074 883 K N -0.023 120.353 120.400 -0.041 0.000 2.097 883 K HA -0.369 3.961 4.320 0.018 0.000 0.205 883 K C 1.651 178.259 176.600 0.013 0.000 1.050 883 K CA 3.430 59.718 56.287 0.003 0.000 0.938 883 K CB -0.068 32.437 32.500 0.009 0.000 0.718 883 K HN 0.327 8.558 8.250 -0.032 0.000 0.442 884 N N -1.943 116.764 118.700 0.013 0.000 2.354 884 N HA -0.204 4.542 4.740 0.009 0.000 0.179 884 N C 1.774 177.242 175.510 -0.070 0.000 1.021 884 N CA 2.847 55.921 53.050 0.040 0.000 0.887 884 N CB -0.356 38.282 38.487 0.251 0.000 0.974 884 N HN 0.094 8.484 8.380 0.017 0.000 0.437 885 I N -0.462 120.041 120.570 -0.112 0.000 2.315 885 I HA -0.345 3.717 4.170 -0.180 0.000 0.248 885 I C 1.768 177.753 176.117 -0.221 0.000 1.117 885 I CA 1.463 62.624 61.300 -0.231 0.000 1.404 885 I CB -1.458 36.220 38.000 -0.536 0.000 1.071 885 I HN -0.319 7.823 8.210 -0.114 0.000 0.419 886 Y N 0.525 120.655 120.300 -0.283 0.000 2.421 886 Y HA -0.418 3.977 4.550 -0.258 0.000 0.292 886 Y C 1.431 177.176 175.900 -0.259 0.000 1.136 886 Y CA 3.060 61.016 58.100 -0.241 0.000 1.255 886 Y CB -0.400 37.967 38.460 -0.155 0.000 0.991 886 Y HN -0.568 7.699 8.280 -0.022 0.000 0.552 887 S N 0.811 116.333 115.700 -0.296 0.000 2.368 887 S HA -0.354 3.874 4.470 -0.403 0.000 0.225 887 S C 1.994 176.304 174.600 -0.484 0.000 1.030 887 S CA 3.689 61.658 58.200 -0.386 0.000 0.999 887 S CB -0.934 62.079 63.200 -0.312 0.000 0.844 887 S HN -0.541 7.523 8.310 -0.183 0.137 0.459 888 I N 1.556 121.848 120.570 -0.464 0.000 2.127 888 I HA -0.571 3.330 4.170 -0.449 0.000 0.241 888 I C 2.086 177.876 176.117 -0.545 0.000 1.075 888 I CA 3.753 64.790 61.300 -0.439 0.000 1.334 888 I CB -0.214 37.615 38.000 -0.285 0.000 1.040 888 I HN -0.716 7.154 8.210 -0.409 0.095 0.405 889 M N -1.591 117.590 119.600 -0.698 0.000 2.080 889 M HA -0.584 3.161 4.480 -1.226 0.000 0.260 889 M C 2.196 177.613 176.300 -1.471 0.000 1.068 889 M CA 4.216 58.764 55.300 -1.254 0.000 1.109 889 M CB -0.406 31.379 32.600 -1.358 0.000 1.342 889 M HN -0.732 7.201 8.290 -0.595 0.000 0.405 890 Q N -2.525 116.671 119.800 -1.007 0.000 2.170 890 Q HA -0.346 3.731 4.340 -0.438 0.000 0.203 890 Q C 1.578 177.324 176.000 -0.425 0.000 0.976 890 Q CA 2.581 58.015 55.803 -0.614 0.000 0.858 890 Q CB -0.118 28.281 28.738 -0.565 0.000 0.907 890 Q HN -0.614 7.072 8.270 -0.972 0.000 0.433 891 A N -3.076 119.477 122.820 -0.444 0.000 1.929 891 A HA -0.102 4.085 4.320 -0.221 0.000 0.216 891 A C 2.472 179.900 177.584 -0.260 0.000 1.176 891 A CA 2.460 54.320 52.037 -0.294 0.000 0.628 891 A CB -0.143 18.686 19.000 -0.285 0.000 0.816 891 A HN -0.599 7.140 8.150 -0.509 0.105 0.444 892 C N -2.902 116.148 119.300 -0.417 0.000 2.419 892 C HA -0.239 4.105 4.460 -0.192 0.000 0.281 892 C C 0.882 175.740 174.990 -0.220 0.000 1.336 892 C CA 4.905 63.715 59.018 -0.347 0.000 1.770 892 C CB -0.336 27.099 27.740 -0.507 0.000 1.929 892 C HN -0.189 7.632 8.230 -0.551 0.079 0.509 893 W N -3.339 117.730 121.300 -0.385 0.000 3.305 893 W HA 0.012 4.056 4.660 -1.026 0.000 0.392 893 W C -0.953 175.503 176.519 -0.104 0.000 1.121 893 W CA -2.524 54.441 57.345 -0.633 0.000 1.909 893 W CB -2.032 26.915 29.460 -0.854 0.000 1.065 893 W HN -0.670 7.103 8.180 -0.444 0.140 0.714 894 A N 0.164 123.087 122.820 0.172 0.000 2.520 894 A HA -0.072 4.309 4.320 0.102 0.000 0.245 894 A C 0.522 178.291 177.584 0.308 0.000 1.072 894 A CA 0.099 52.237 52.037 0.167 0.000 0.761 894 A CB 1.143 20.210 19.000 0.112 0.000 1.004 894 A HN -0.756 7.377 8.150 0.093 0.072 0.499 895 L N 1.906 123.268 121.223 0.232 0.000 2.141 895 L HA -0.282 4.238 4.340 0.301 0.000 0.209 895 L C 0.472 177.439 176.870 0.162 0.000 1.094 895 L CA 1.456 56.428 54.840 0.219 0.000 0.763 895 L CB 0.325 42.462 42.059 0.130 0.000 0.908 895 L HN 0.305 8.628 8.230 0.156 0.000 0.437 896 E N -1.358 118.942 120.200 0.168 0.000 2.152 896 E HA 0.066 4.486 4.350 0.116 0.000 0.285 896 E C -0.521 176.177 176.600 0.164 0.000 1.043 896 E CA -2.691 53.807 56.400 0.164 0.000 0.839 896 E CB 0.846 30.694 29.700 0.246 0.000 1.069 896 E HN -0.310 8.151 8.360 0.168 0.000 0.399 897 P HA -0.209 4.289 4.420 0.129 0.000 0.216 897 P C 0.165 177.505 177.300 0.066 0.000 1.150 897 P CA 2.491 65.648 63.100 0.096 0.000 0.843 897 P CB 0.352 32.085 31.700 0.055 0.000 0.787 898 T N -8.317 106.254 114.554 0.029 0.000 3.085 898 T HA -0.172 4.163 4.350 -0.025 0.000 0.263 898 T C 0.458 175.113 174.700 -0.074 0.000 1.127 898 T CA 1.354 63.432 62.100 -0.037 0.000 1.103 898 T CB -1.286 67.531 68.868 -0.084 0.000 0.921 898 T HN -0.055 8.180 8.240 0.030 0.023 0.510 899 H N 0.118 119.193 119.070 0.008 0.000 2.512 899 H HA -0.001 4.547 4.556 -0.013 0.000 0.279 899 H C 0.488 175.802 175.328 -0.024 0.000 0.999 899 H CA 1.887 57.932 56.048 -0.005 0.000 1.283 899 H CB 0.731 30.495 29.762 0.005 0.000 1.421 899 H HN -0.481 7.737 8.280 0.149 0.151 0.554 900 R N -0.270 120.288 120.500 0.097 0.000 2.643 900 R HA 0.042 4.553 4.340 -0.003 -0.172 0.270 900 R C -1.880 174.389 176.300 -0.052 0.000 1.061 900 R CA -1.215 54.893 56.100 0.013 0.000 1.107 900 R CB -0.074 30.242 30.300 0.026 0.000 0.999 900 R HN -0.829 7.505 8.270 0.107 0.000 0.460 901 P HA 0.121 4.652 4.420 -0.092 -0.167 0.274 901 P C -0.391 176.790 177.300 -0.198 0.000 1.246 901 P CA -0.799 62.222 63.100 -0.132 0.000 0.795 901 P CB 0.837 32.444 31.700 -0.154 0.000 1.006 902 T N -5.116 109.345 114.554 -0.156 0.000 2.824 902 T HA 0.126 4.326 4.350 -0.250 0.000 0.277 902 T C 1.415 175.976 174.700 -0.232 0.000 0.975 902 T CA -2.407 59.585 62.100 -0.180 0.000 0.966 902 T CB 2.186 71.029 68.868 -0.043 0.000 1.054 902 T HN -0.477 7.899 8.240 -0.102 -0.197 0.533 903 F N -1.125 118.783 119.950 -0.070 0.000 2.325 903 F HA -0.278 4.143 4.527 -0.176 0.000 0.299 903 F C 2.035 177.795 175.800 -0.066 0.000 1.090 903 F CA 4.782 62.711 58.000 -0.119 0.000 1.392 903 F CB -0.231 38.686 39.000 -0.138 0.000 1.053 903 F HN 0.688 9.016 8.300 0.047 0.000 0.521 904 Q N -1.350 118.528 119.800 0.130 0.000 2.083 904 Q HA -0.280 4.124 4.340 0.107 0.000 0.198 904 Q C 2.241 178.281 176.000 0.067 0.000 0.969 904 Q CA 2.937 58.796 55.803 0.094 0.000 0.838 904 Q CB -0.942 27.843 28.738 0.078 0.000 0.900 904 Q HN -0.137 8.191 8.270 0.124 0.016 0.436 905 Q N -0.077 119.744 119.800 0.036 0.000 2.061 905 Q HA -0.330 4.041 4.340 0.050 0.000 0.204 905 Q C 2.694 178.727 176.000 0.054 0.000 0.984 905 Q CA 3.144 58.967 55.803 0.033 0.000 0.846 905 Q CB -0.033 28.701 28.738 -0.005 0.000 0.902 905 Q HN -0.636 7.646 8.270 0.019 0.000 0.421 906 I N -0.486 120.090 120.570 0.011 0.000 2.163 906 I HA -0.491 3.696 4.170 0.028 0.000 0.243 906 I C 1.804 177.990 176.117 0.114 0.000 1.085 906 I CA 3.736 65.054 61.300 0.029 0.000 1.347 906 I CB -0.017 37.948 38.000 -0.059 0.000 1.044 906 I HN -0.461 7.731 8.210 -0.030 0.000 0.408 907 C N -2.916 116.445 119.300 0.103 0.000 2.403 907 C HA -0.475 4.065 4.460 0.134 0.000 0.279 907 C C 1.657 176.722 174.990 0.126 0.000 1.269 907 C CA 5.508 64.599 59.018 0.122 0.000 1.774 907 C CB -1.005 26.802 27.740 0.112 0.000 1.993 907 C HN 0.007 8.289 8.230 0.088 0.000 0.496 908 S N -0.566 115.206 115.700 0.120 0.000 2.377 908 S HA -0.204 4.313 4.470 0.078 0.000 0.223 908 S C 1.230 175.897 174.600 0.111 0.000 1.030 908 S CA 2.612 60.872 58.200 0.099 0.000 0.970 908 S CB -0.347 62.903 63.200 0.084 0.000 0.830 908 S HN -0.743 7.613 8.310 0.116 0.024 0.473 909 F N 1.777 121.738 119.950 0.018 0.000 2.365 909 F HA -0.256 4.275 4.527 0.005 0.000 0.300 909 F C 1.356 177.168 175.800 0.020 0.000 1.090 909 F CA 2.997 61.003 58.000 0.010 0.000 1.408 909 F CB 0.495 39.492 39.000 -0.005 0.000 1.060 909 F HN -0.846 7.633 8.300 0.298 0.000 0.534 910 L N -2.402 118.979 121.223 0.262 0.000 2.179 910 L HA -0.334 4.154 4.340 0.246 0.000 0.208 910 L C 1.433 178.361 176.870 0.098 0.000 1.096 910 L CA 2.083 57.046 54.840 0.205 0.000 0.779 910 L CB -0.008 42.180 42.059 0.215 0.000 0.922 910 L HN -0.553 7.793 8.230 0.247 0.032 0.443 911 Q N -1.612 118.230 119.800 0.070 0.000 2.488 911 Q HA -0.170 4.199 4.340 0.048 0.000 0.211 911 Q C -0.508 175.476 176.000 -0.027 0.000 0.967 911 Q CA 0.556 56.380 55.803 0.035 0.000 0.926 911 Q CB 0.514 29.278 28.738 0.042 0.000 0.992 911 Q HN -0.656 7.665 8.270 0.085 0.000 0.506 912 E N 0.000 120.143 120.200 -0.094 0.000 2.725 912 E HA 0.000 4.219 4.350 -0.367 -0.090 0.291 912 E CA 0.000 56.276 56.400 -0.206 0.000 0.976 912 E CB 0.000 29.612 29.700 -0.147 0.000 0.812 912 E HN 0.000 8.117 8.360 -0.086 0.191 0.440