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 1qu5_1_A DATA FIRST_RESID 549 DATA SEQUENCE EAETREQKLL HSNNTENVKS SKKKGNGRFL TLKPLPDSII QESLEIQQGV DATA SEQUENCE NPFFIGRSED CNCKIEDNRL SRVHCFIFKK RHAVGKSMYE SPAQGLDDIW DATA SEQUENCE YCHTGTNVSY LNNNRMIQGT KFLLQDGDEI KIIWDKNNKF VIGFKVEIND DATA SEQUENCE TTGLFNEGLG MLQEQRVVLK QTAEEKDLVK KL 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 549 E HA 0.000 4.351 4.350 0.002 0.000 0.291 549 E C 0.000 176.602 176.600 0.003 0.000 1.382 549 E CA 0.000 56.401 56.400 0.001 0.000 0.976 549 E CB 0.000 29.701 29.700 0.001 0.000 0.812 550 A N -0.928 121.895 122.820 0.006 0.000 1.781 550 A HA 0.087 4.409 4.320 0.005 0.000 0.180 550 A C -1.303 176.286 177.584 0.008 0.000 1.996 550 A CA 0.557 52.597 52.037 0.006 0.000 1.576 550 A CB 0.665 19.669 19.000 0.007 0.000 1.609 550 A HN 0.408 8.562 8.150 0.007 0.000 0.304 551 E N -1.978 118.228 120.200 0.010 0.000 2.378 551 E HA 0.210 4.565 4.350 0.009 0.000 0.265 551 E C -0.185 176.422 176.600 0.012 0.000 0.932 551 E CA -1.328 55.078 56.400 0.011 0.000 0.795 551 E CB 0.436 30.144 29.700 0.013 0.000 1.296 551 E HN -0.503 7.863 8.360 0.011 0.000 0.438 552 T N -0.807 113.754 114.554 0.011 0.000 2.848 552 T HA -0.324 4.031 4.350 0.009 0.000 0.269 552 T C 0.070 174.779 174.700 0.015 0.000 1.081 552 T CA 1.896 64.003 62.100 0.011 0.000 1.125 552 T CB -0.096 68.778 68.868 0.010 0.000 0.848 552 T HN 0.288 8.534 8.240 0.010 0.000 0.503 553 R N -1.920 118.593 120.500 0.020 0.000 1.180 553 R HA -0.248 4.217 4.340 0.034 -0.105 0.426 553 R C -1.618 174.705 176.300 0.039 0.000 1.248 553 R CA 0.089 56.208 56.100 0.031 0.000 0.612 553 R CB -1.250 29.066 30.300 0.027 0.000 2.458 553 R HN -0.486 7.819 8.270 0.019 -0.024 0.519 554 E N 0.807 121.037 120.200 0.050 0.000 6.165 554 E HA -0.454 3.923 4.350 0.044 0.000 0.190 554 E C -1.924 174.688 176.600 0.020 0.000 1.399 554 E CA 1.311 57.737 56.400 0.043 0.000 1.382 554 E CB -0.698 29.035 29.700 0.056 0.000 0.979 554 E HN 0.333 8.844 8.360 0.054 -0.118 0.311 555 Q N 2.313 122.120 119.800 0.013 0.000 1.600 555 Q HA -0.083 4.259 4.340 0.003 0.000 0.145 555 Q C -0.037 175.965 176.000 0.003 0.000 0.519 555 Q CA 0.344 56.151 55.803 0.006 0.000 0.846 555 Q CB 0.378 29.121 28.738 0.009 0.000 0.912 555 Q HN 0.121 8.399 8.270 0.014 0.000 0.200 556 K N -0.175 120.228 120.400 0.006 0.000 2.015 556 K HA -0.305 4.017 4.320 0.003 0.000 0.220 556 K C 1.155 177.755 176.600 0.001 0.000 1.055 556 K CA 2.782 59.071 56.287 0.004 0.000 0.951 556 K CB -0.287 32.217 32.500 0.007 0.000 0.725 556 K HN 0.260 8.515 8.250 0.009 0.000 0.449 557 L N -6.054 115.171 121.223 0.002 0.000 3.031 557 L HA 0.093 4.427 4.340 -0.009 0.000 0.167 557 L C -0.464 176.398 176.870 -0.014 0.000 1.203 557 L CA 0.231 55.068 54.840 -0.005 0.000 0.857 557 L CB 0.938 42.998 42.059 0.001 0.000 1.368 557 L HN -0.363 7.871 8.230 0.007 0.000 0.534 558 L N -5.941 115.282 121.223 0.000 0.000 3.167 558 L HA 0.191 4.530 4.340 -0.002 0.000 0.273 558 L C -1.713 175.209 176.870 0.086 0.000 0.969 558 L CA -0.021 54.815 54.840 -0.006 0.000 1.033 558 L CB 0.326 42.324 42.059 -0.102 0.000 1.544 558 L HN -0.669 7.570 8.230 0.015 0.000 0.393 559 H N -1.340 117.731 119.070 0.002 0.000 2.774 559 H HA -0.244 4.313 4.556 0.001 0.000 0.321 559 H C 0.583 175.912 175.328 0.001 0.000 1.092 559 H CA 0.599 56.648 56.048 0.002 0.000 1.130 559 H CB 0.150 29.913 29.762 0.002 0.000 1.014 559 H HN 0.120 8.442 8.280 0.071 0.000 0.783 560 S N 1.748 117.469 115.700 0.035 0.000 3.028 560 S HA -0.389 4.065 4.470 -0.026 0.000 0.367 560 S C 0.577 175.188 174.600 0.018 0.000 1.192 560 S CA 1.209 59.400 58.200 -0.015 0.000 0.959 560 S CB 0.560 63.719 63.200 -0.068 0.000 0.637 560 S HN 0.263 8.500 8.310 -0.122 0.000 0.461 561 N N 4.086 122.791 118.700 0.008 0.000 0.937 561 N HA -0.497 4.432 4.740 0.012 -0.181 0.158 561 N C 0.793 176.315 175.510 0.020 0.000 0.279 561 N CA 2.765 55.822 53.050 0.012 0.000 0.922 561 N CB -0.414 38.075 38.487 0.003 0.000 1.720 561 N HN 0.510 8.889 8.380 -0.001 0.000 0.551 562 N N 2.878 121.587 118.700 0.016 0.000 3.091 562 N HA -0.040 4.714 4.740 0.022 0.000 0.301 562 N C -0.457 175.069 175.510 0.027 0.000 1.325 562 N CA 0.178 53.240 53.050 0.020 0.000 1.143 562 N CB -1.495 37.000 38.487 0.013 0.000 1.450 562 N HN 0.031 8.417 8.380 0.010 0.000 0.542 563 T N 0.363 114.942 114.554 0.042 0.000 3.866 563 T HA -0.543 3.900 4.350 0.089 -0.039 0.344 563 T C -0.618 174.103 174.700 0.035 0.000 0.760 563 T CA 1.724 63.862 62.100 0.063 0.000 1.852 563 T CB -0.728 68.185 68.868 0.074 0.000 1.891 563 T HN 0.864 8.959 8.240 0.045 0.172 0.783 564 E N -5.337 114.873 120.200 0.016 0.000 2.735 564 E HA -0.526 3.825 4.350 0.002 0.000 0.261 564 E C -1.280 175.327 176.600 0.012 0.000 1.137 564 E CA 1.273 57.676 56.400 0.006 0.000 0.754 564 E CB -1.465 28.231 29.700 -0.006 0.000 1.352 564 E HN 0.182 8.501 8.360 0.014 0.050 0.430 565 N N -3.215 115.497 118.700 0.019 0.000 2.678 565 N HA -0.470 4.283 4.740 0.022 0.000 0.268 565 N C 0.423 175.945 175.510 0.020 0.000 1.010 565 N CA 0.912 53.973 53.050 0.019 0.000 0.784 565 N CB -0.753 37.742 38.487 0.013 0.000 0.905 565 N HN 0.399 8.606 8.380 0.022 0.186 0.552 566 V N -4.020 115.911 119.914 0.027 0.000 2.244 566 V HA -0.339 3.794 4.120 0.021 0.000 0.244 566 V C 1.368 177.475 176.094 0.022 0.000 1.042 566 V CA 3.375 65.691 62.300 0.027 0.000 1.006 566 V CB -0.033 31.814 31.823 0.040 0.000 0.641 566 V HN -0.735 7.477 8.190 0.036 0.000 0.446 567 K N -2.701 117.712 120.400 0.023 0.000 2.228 567 K HA -0.104 4.227 4.320 0.017 0.000 0.202 567 K C -0.392 176.218 176.600 0.017 0.000 1.051 567 K CA -0.328 55.970 56.287 0.019 0.000 0.960 567 K CB -0.014 32.497 32.500 0.018 0.000 0.743 567 K HN 0.154 8.420 8.250 0.027 0.000 0.458 568 S N -4.119 111.592 115.700 0.017 0.000 2.964 568 S HA -0.215 4.248 4.470 0.015 0.016 0.829 568 S C -0.499 174.109 174.600 0.014 0.000 0.843 568 S CA -0.001 58.208 58.200 0.015 0.000 1.458 568 S CB 0.123 63.330 63.200 0.013 0.000 1.044 568 S HN -0.260 8.045 8.310 0.020 0.018 0.490 569 S N 3.166 118.874 115.700 0.013 0.000 2.399 569 S HA -0.276 4.201 4.470 0.013 0.000 0.231 569 S C 0.569 175.175 174.600 0.011 0.000 1.022 569 S CA 3.089 61.297 58.200 0.012 0.000 0.983 569 S CB 0.373 63.580 63.200 0.012 0.000 0.803 569 S HN 0.562 8.880 8.310 0.014 0.000 0.480 570 K N -1.177 119.229 120.400 0.010 0.000 2.102 570 K HA 0.018 4.343 4.320 0.008 0.000 0.244 570 K C -0.637 175.969 176.600 0.009 0.000 1.021 570 K CA 0.268 56.560 56.287 0.008 0.000 0.913 570 K CB 1.006 33.509 32.500 0.006 0.000 1.062 570 K HN -0.568 7.674 8.250 0.010 0.014 0.485 571 K N -1.705 118.700 120.400 0.008 0.000 3.037 571 K HA -0.024 4.302 4.320 0.009 0.000 0.267 571 K C -1.665 174.940 176.600 0.007 0.000 2.485 571 K CA 0.174 56.466 56.287 0.009 0.000 1.453 571 K CB 0.910 33.417 32.500 0.012 0.000 2.739 571 K HN 0.114 8.368 8.250 0.007 0.000 0.418 572 K N -0.473 119.931 120.400 0.006 0.000 5.510 572 K HA -0.261 4.060 4.320 0.001 0.000 0.595 572 K C -0.212 176.389 176.600 0.002 0.000 1.631 572 K CA 0.834 57.122 56.287 0.002 0.000 1.368 572 K CB -0.265 32.234 32.500 -0.001 0.000 1.839 572 K HN -0.070 8.185 8.250 0.008 0.000 0.296 573 G N 2.102 110.903 108.800 0.003 0.000 2.143 573 G HA2 -0.362 3.603 3.960 0.008 0.000 0.249 573 G HA3 -0.362 3.601 3.960 0.003 0.000 0.249 573 G C -0.452 174.455 174.900 0.012 0.000 0.981 573 G CA -0.233 44.871 45.100 0.006 0.000 0.665 573 G HN 0.220 8.511 8.290 0.002 0.000 0.528 574 N N -1.056 117.652 118.700 0.014 0.000 2.550 574 N HA -0.191 4.556 4.740 0.013 0.000 0.186 574 N C 0.723 176.244 175.510 0.019 0.000 1.110 574 N CA 0.617 53.676 53.050 0.015 0.000 0.912 574 N CB -0.014 38.483 38.487 0.016 0.000 0.968 574 N HN -0.070 8.279 8.380 0.013 0.039 0.448 575 G N -5.607 103.208 108.800 0.024 0.000 4.990 575 G HA2 -0.088 4.073 3.960 0.027 0.000 0.221 575 G HA3 -0.088 3.890 3.960 0.031 0.000 0.221 575 G C -2.008 172.919 174.900 0.044 0.000 0.986 575 G CA -0.043 45.075 45.100 0.031 0.000 1.002 575 G HN -0.457 7.772 8.290 0.023 0.076 0.531 576 R N -0.922 119.603 120.500 0.041 0.000 2.532 576 R HA 0.182 4.571 4.340 0.033 -0.029 0.295 576 R C -1.935 174.419 176.300 0.090 0.000 0.968 576 R CA -0.693 55.428 56.100 0.036 0.000 0.916 576 R CB 1.902 32.200 30.300 -0.003 0.000 1.124 576 R HN -0.434 7.751 8.270 0.032 0.104 0.463 577 F N 3.903 123.795 119.950 -0.097 0.000 2.671 577 F HA 0.248 4.727 4.527 -0.079 0.000 0.303 577 F C -2.732 172.999 175.800 -0.114 0.000 0.935 577 F CA -0.288 57.652 58.000 -0.100 0.000 1.136 577 F CB 3.540 42.472 39.000 -0.113 0.000 0.929 577 F HN -0.036 8.296 8.300 0.054 0.000 0.659 578 L N -0.880 119.753 121.223 -0.983 0.000 2.381 578 L HA 0.522 4.414 4.340 -0.974 -0.136 0.268 578 L C -2.349 174.225 176.870 -0.493 0.000 0.997 578 L CA -1.310 52.907 54.840 -1.039 0.000 0.818 578 L CB 3.698 44.895 42.059 -1.437 0.000 1.310 578 L HN -0.578 7.360 8.230 -0.487 0.000 0.416 579 T N 7.784 122.131 114.554 -0.345 0.000 2.893 579 T HA 0.291 4.719 4.350 -0.172 -0.182 0.324 579 T C -0.952 173.679 174.700 -0.116 0.000 1.082 579 T CA -0.975 61.014 62.100 -0.186 0.000 0.983 579 T CB 0.567 69.358 68.868 -0.128 0.000 1.005 579 T HN 0.499 8.390 8.240 -0.360 0.133 0.475 580 L N 8.572 129.744 121.223 -0.085 0.000 2.485 580 L HA -0.087 4.387 4.340 0.041 -0.109 0.279 580 L C -1.193 175.832 176.870 0.259 0.000 1.124 580 L CA -0.031 54.847 54.840 0.063 0.000 0.888 580 L CB -0.001 42.021 42.059 -0.062 0.000 1.217 580 L HN 0.785 8.863 8.230 -0.135 0.070 0.464 581 K N 7.505 128.032 120.400 0.212 0.000 2.257 581 K HA 0.406 4.912 4.320 0.092 -0.130 0.270 581 K C -2.203 174.418 176.600 0.036 0.000 1.098 581 K CA -3.010 53.345 56.287 0.113 0.000 0.943 581 K CB 0.950 33.469 32.500 0.033 0.000 1.316 581 K HN 0.289 8.515 8.250 0.158 0.118 0.447 582 P HA 0.196 4.222 4.420 -0.951 -0.176 0.276 582 P C -1.177 175.925 177.300 -0.331 0.000 1.230 582 P CA -0.521 62.163 63.100 -0.693 0.000 0.776 582 P CB 0.726 31.825 31.700 -1.002 0.000 0.888 583 L N 1.443 122.494 121.223 -0.288 0.000 2.492 583 L HA 0.471 4.729 4.340 -0.138 0.000 0.263 583 L C 0.470 177.239 176.870 -0.169 0.000 1.062 583 L CA -2.710 52.026 54.840 -0.172 0.000 0.817 583 L CB -1.146 40.838 42.059 -0.126 0.000 1.441 583 L HN -0.570 7.457 8.230 -0.338 0.000 0.493 584 P HA -0.107 4.249 4.420 -0.106 0.000 0.221 584 P C -0.545 176.690 177.300 -0.108 0.000 1.150 584 P CA 1.907 64.945 63.100 -0.103 0.000 0.800 584 P CB 0.210 31.866 31.700 -0.073 0.000 0.787 585 D N -3.973 116.362 120.400 -0.109 0.000 2.310 585 D HA -0.075 4.515 4.640 -0.082 0.000 0.212 585 D C 0.229 176.450 176.300 -0.133 0.000 0.965 585 D CA 1.356 55.294 54.000 -0.103 0.000 0.879 585 D CB -0.009 40.732 40.800 -0.098 0.000 0.921 585 D HN 0.078 8.361 8.370 -0.108 0.022 0.510 586 S N -1.060 114.535 115.700 -0.175 0.000 2.541 586 S HA 0.161 4.750 4.470 -0.191 -0.233 0.283 586 S C 0.414 174.876 174.600 -0.230 0.000 1.196 586 S CA -1.746 56.321 58.200 -0.220 0.000 1.062 586 S CB 2.097 65.103 63.200 -0.324 0.000 1.009 586 S HN -0.668 7.353 8.310 -0.181 0.180 0.502 587 I N 5.672 126.081 120.570 -0.268 0.000 2.399 587 I HA -0.275 3.762 4.170 -0.221 0.000 0.254 587 I C 0.071 176.077 176.117 -0.185 0.000 1.146 587 I CA 2.689 63.832 61.300 -0.261 0.000 1.412 587 I CB 0.600 38.339 38.000 -0.435 0.000 1.076 587 I HN 0.074 8.102 8.210 -0.304 0.000 0.432 588 I N -0.460 119.983 120.570 -0.212 0.000 2.834 588 I HA -0.027 4.082 4.170 -0.101 0.000 0.305 588 I C -1.686 174.297 176.117 -0.222 0.000 1.008 588 I CA -1.022 60.166 61.300 -0.187 0.000 1.273 588 I CB 1.164 39.018 38.000 -0.244 0.000 1.432 588 I HN -0.886 7.132 8.210 -0.259 0.037 0.557 589 Q N -0.119 119.587 119.800 -0.157 0.000 2.536 589 Q HA 0.095 4.473 4.340 -0.185 -0.149 0.231 589 Q C -1.758 174.194 176.000 -0.079 0.000 0.811 589 Q CA -0.116 55.605 55.803 -0.137 0.000 0.966 589 Q CB 1.902 30.579 28.738 -0.100 0.000 1.512 589 Q HN 0.035 8.243 8.270 -0.103 0.000 0.456 590 E N 3.042 123.198 120.200 -0.075 0.000 0.325 590 E HA -0.008 4.327 4.350 -0.024 0.000 0.132 590 E C -2.180 174.421 176.600 0.000 0.000 2.533 590 E CA 0.157 56.544 56.400 -0.023 0.000 1.499 590 E CB 0.327 30.029 29.700 0.004 0.000 0.381 590 E HN 0.209 8.500 8.360 -0.115 0.000 0.903 591 S N -0.237 115.489 115.700 0.043 0.000 2.582 591 S HA 0.431 5.161 4.470 0.101 -0.200 0.287 591 S C -1.237 173.419 174.600 0.093 0.000 1.146 591 S CA -0.647 57.595 58.200 0.070 0.000 0.941 591 S CB 2.755 65.970 63.200 0.025 0.000 1.115 591 S HN -0.002 8.338 8.310 0.050 0.000 0.458 592 L N 2.393 123.694 121.223 0.129 0.000 2.492 592 L HA 0.379 4.788 4.340 0.114 0.000 0.263 592 L C -1.215 175.659 176.870 0.006 0.000 1.062 592 L CA -1.366 53.537 54.840 0.105 0.000 0.817 592 L CB 2.174 44.331 42.059 0.162 0.000 1.441 592 L HN 0.987 9.164 8.230 0.170 0.155 0.493 593 E N -1.320 118.870 120.200 -0.016 0.000 2.528 593 E HA 0.352 4.777 4.350 -0.148 -0.163 0.277 593 E C -1.191 175.293 176.600 -0.194 0.000 0.980 593 E CA -0.910 55.431 56.400 -0.100 0.000 0.796 593 E CB 1.863 31.547 29.700 -0.026 0.000 1.427 593 E HN 0.299 8.694 8.360 0.058 0.000 0.394 594 I N 4.787 125.091 120.570 -0.443 0.000 2.421 594 I HA -0.066 3.526 4.170 -0.964 0.000 0.291 594 I C -0.923 175.079 176.117 -0.191 0.000 1.089 594 I CA 0.006 60.891 61.300 -0.693 0.000 1.354 594 I CB 0.676 38.099 38.000 -0.962 0.000 1.413 594 I HN 0.641 8.587 8.210 -0.441 0.000 0.513 595 Q N 8.018 127.795 119.800 -0.037 0.000 2.255 595 Q HA -0.228 4.203 4.340 0.039 -0.067 0.280 595 Q C -0.353 175.697 176.000 0.083 0.000 1.068 595 Q CA 0.918 56.751 55.803 0.050 0.000 0.911 595 Q CB -0.105 28.681 28.738 0.081 0.000 1.157 595 Q HN 0.307 8.587 8.270 0.016 0.000 0.380 596 Q N 1.816 121.691 119.800 0.124 0.000 2.325 596 Q HA -0.425 4.015 4.340 0.166 0.000 0.346 596 Q C -0.167 175.781 176.000 -0.087 0.000 1.253 596 Q CA 1.186 57.033 55.803 0.073 0.000 1.050 596 Q CB -1.239 27.504 28.738 0.008 0.000 1.291 596 Q HN 0.035 8.312 8.270 0.122 0.066 0.431 597 G N -2.903 105.896 108.800 -0.001 0.000 2.392 597 G HA2 -0.336 3.599 3.960 -0.042 0.000 0.290 597 G HA3 -0.336 3.324 3.960 -0.501 0.000 0.290 597 G C 0.105 174.947 174.900 -0.098 0.000 1.032 597 G CA 0.161 45.141 45.100 -0.200 0.000 1.269 597 G HN -0.395 8.137 8.290 0.423 0.012 0.511 598 V N -0.592 119.342 119.914 0.034 0.000 2.357 598 V HA -0.512 3.677 4.120 0.086 -0.017 0.257 598 V C 1.010 177.120 176.094 0.027 0.000 1.082 598 V CA 2.063 64.427 62.300 0.106 0.000 1.078 598 V CB -0.093 31.936 31.823 0.344 0.000 0.663 598 V HN -0.442 7.780 8.190 0.053 0.000 0.455 599 N N 0.034 118.706 118.700 -0.047 0.000 2.527 599 N HA -0.179 4.457 4.740 -0.295 -0.073 0.293 599 N C -2.145 173.370 175.510 0.008 0.000 1.283 599 N CA -0.120 52.830 53.050 -0.167 0.000 0.702 599 N CB -0.394 37.927 38.487 -0.277 0.000 0.937 599 N HN -0.082 8.249 8.380 -0.033 0.029 0.536 600 P HA 0.345 4.818 4.420 0.089 0.000 0.285 600 P C -2.109 175.130 177.300 -0.103 0.000 1.285 600 P CA -1.012 62.102 63.100 0.022 0.000 0.854 600 P CB 1.130 32.814 31.700 -0.027 0.000 1.180 601 F N 1.424 121.238 119.950 -0.226 0.000 2.453 601 F HA 0.252 4.748 4.527 -0.051 0.000 0.358 601 F C -1.639 174.106 175.800 -0.093 0.000 1.129 601 F CA -1.971 55.951 58.000 -0.129 0.000 1.200 601 F CB 1.310 40.268 39.000 -0.069 0.000 1.431 601 F HN 0.262 8.496 8.300 0.093 0.121 0.503 602 F N 4.230 124.160 119.950 -0.032 0.000 2.527 602 F HA -0.183 4.482 4.527 0.230 0.000 0.316 602 F C -0.331 175.375 175.800 -0.157 0.000 1.258 602 F CA 1.351 59.361 58.000 0.016 0.000 1.314 602 F CB 0.811 39.785 39.000 -0.044 0.000 1.200 602 F HN -0.319 7.737 8.300 -0.407 0.000 0.577 603 I N -7.939 112.736 120.570 0.175 0.000 2.741 603 I HA 0.226 4.405 4.170 0.014 0.000 0.288 603 I C -1.686 174.531 176.117 0.166 0.000 1.482 603 I CA -0.177 61.175 61.300 0.088 0.000 1.050 603 I CB 2.668 40.709 38.000 0.067 0.000 1.388 603 I HN -0.238 8.139 8.210 0.279 0.000 0.428 604 G N 2.627 111.513 108.800 0.143 0.000 2.393 604 G HA2 0.179 4.288 3.960 0.247 0.000 0.264 604 G HA3 0.179 4.439 3.960 0.210 -0.174 0.264 604 G C -1.373 173.602 174.900 0.124 0.000 1.221 604 G CA 0.654 45.867 45.100 0.189 0.000 0.912 604 G HN -0.621 7.728 8.290 0.098 0.000 0.483 605 R N -0.627 119.940 120.500 0.113 0.000 2.297 605 R HA 0.056 4.447 4.340 0.083 0.000 0.197 605 R C -0.621 175.710 176.300 0.051 0.000 0.943 605 R CA -0.782 55.366 56.100 0.079 0.000 1.038 605 R CB 0.282 30.627 30.300 0.075 0.000 0.957 605 R HN 0.414 8.834 8.270 0.143 -0.065 0.484 606 S N -2.261 113.460 115.700 0.035 0.000 2.438 606 S HA 0.191 4.662 4.470 0.002 0.000 0.316 606 S C 0.525 175.115 174.600 -0.016 0.000 1.084 606 S CA -1.536 56.663 58.200 -0.001 0.000 1.107 606 S CB 1.442 64.626 63.200 -0.027 0.000 0.981 606 S HN -0.619 7.739 8.310 0.049 -0.018 0.466 607 E N 7.535 127.726 120.200 -0.014 0.000 2.333 607 E HA -0.392 3.952 4.350 -0.010 0.000 0.200 607 E C -0.547 176.021 176.600 -0.054 0.000 1.010 607 E CA 2.276 58.663 56.400 -0.021 0.000 0.841 607 E CB -0.359 29.335 29.700 -0.011 0.000 0.757 607 E HN 0.773 9.130 8.360 -0.006 0.000 0.508 608 D N -3.142 117.209 120.400 -0.080 0.000 2.271 608 D HA -0.183 4.388 4.640 -0.116 0.000 0.207 608 D C 0.805 176.991 176.300 -0.189 0.000 0.983 608 D CA 1.141 55.058 54.000 -0.138 0.000 0.878 608 D CB -0.409 40.288 40.800 -0.171 0.000 0.920 608 D HN -0.096 8.175 8.370 -0.068 0.058 0.479 609 C N -1.204 118.012 119.300 -0.139 0.000 2.649 609 C HA 0.006 4.381 4.460 -0.142 0.000 0.377 609 C C -0.236 174.709 174.990 -0.074 0.000 1.321 609 C CA -1.100 57.875 59.018 -0.070 0.000 2.368 609 C CB 1.200 28.947 27.740 0.012 0.000 2.597 609 C HN -0.153 7.866 8.230 -0.096 0.153 0.678 610 N N -0.531 118.121 118.700 -0.079 0.000 2.585 610 N HA -0.201 4.439 4.740 -0.166 0.000 0.188 610 N C -0.451 174.668 175.510 -0.653 0.000 1.102 610 N CA 2.503 55.295 53.050 -0.430 0.000 0.920 610 N CB -0.670 37.324 38.487 -0.822 0.000 0.963 610 N HN 0.223 8.808 8.380 0.207 -0.081 0.447 611 C N -4.105 114.903 119.300 -0.486 0.000 4.181 611 C HA 0.308 4.721 4.460 -0.080 0.000 0.301 611 C C -2.324 172.645 174.990 -0.036 0.000 4.923 611 C CA -1.606 57.294 59.018 -0.198 0.000 1.620 611 C CB 2.298 29.953 27.740 -0.141 0.000 5.750 611 C HN -0.875 7.058 8.230 -0.356 0.083 0.517 612 K N -0.812 119.617 120.400 0.048 0.000 2.560 612 K HA 0.125 4.482 4.320 0.061 0.000 0.276 612 K C -1.323 175.359 176.600 0.135 0.000 1.025 612 K CA 0.411 56.744 56.287 0.076 0.000 0.974 612 K CB 1.886 34.425 32.500 0.065 0.000 1.347 612 K HN -0.056 8.247 8.250 0.089 0.000 0.447 613 I N 2.807 123.467 120.570 0.150 0.000 3.877 613 I HA 0.171 4.502 4.170 0.269 0.000 0.332 613 I C -0.172 176.044 176.117 0.164 0.000 1.525 613 I CA -2.157 59.271 61.300 0.214 0.000 1.146 613 I CB -0.036 38.115 38.000 0.253 0.000 1.137 613 I HN 0.311 8.598 8.210 0.128 0.000 0.424 614 E N -0.435 119.840 120.200 0.125 0.000 1.325 614 E HA -0.294 4.114 4.350 0.096 0.000 0.182 614 E C -1.675 175.004 176.600 0.132 0.000 0.989 614 E CA 1.345 57.809 56.400 0.107 0.000 0.491 614 E CB -0.279 29.473 29.700 0.085 0.000 1.032 614 E HN 0.040 8.385 8.360 0.115 0.084 0.254 615 D N 0.962 121.462 120.400 0.167 0.000 2.476 615 D HA 0.136 4.993 4.640 0.361 0.000 0.251 615 D C -0.190 176.271 176.300 0.268 0.000 1.291 615 D CA -0.877 53.307 54.000 0.308 0.000 0.939 615 D CB 1.717 42.695 40.800 0.297 0.000 1.221 615 D HN -0.123 8.331 8.370 0.140 0.000 0.567 616 N N 4.642 123.489 118.700 0.245 0.000 2.089 616 N HA -0.449 4.322 4.740 0.051 0.000 0.198 616 N C 1.015 176.486 175.510 -0.064 0.000 1.017 616 N CA 3.288 56.367 53.050 0.048 0.000 0.880 616 N CB -0.030 38.456 38.487 -0.003 0.000 1.042 616 N HN 0.536 9.110 8.380 0.323 0.000 0.446 617 R N -3.330 117.025 120.500 -0.242 0.000 2.211 617 R HA -0.258 3.946 4.340 -0.227 0.000 0.240 617 R C 0.495 176.724 176.300 -0.119 0.000 1.144 617 R CA 0.425 56.380 56.100 -0.243 0.000 0.992 617 R CB -0.624 29.452 30.300 -0.374 0.000 0.869 617 R HN 0.108 8.129 8.270 -0.412 0.002 0.462 618 L N -1.504 119.613 121.223 -0.175 0.000 2.410 618 L HA -0.118 3.584 4.340 -1.062 0.000 0.273 618 L C 0.388 177.360 176.870 0.169 0.000 1.152 618 L CA 0.511 55.200 54.840 -0.251 0.000 0.855 618 L CB -0.022 41.966 42.059 -0.117 0.000 1.129 618 L HN -0.049 7.960 8.230 -0.057 0.187 0.463 619 S N 1.280 117.250 115.700 0.450 0.000 2.667 619 S HA -0.020 4.538 4.470 0.146 0.000 0.251 619 S C -0.884 173.801 174.600 0.142 0.000 1.075 619 S CA 0.045 58.379 58.200 0.223 0.000 1.130 619 S CB 0.075 63.402 63.200 0.211 0.000 0.795 619 S HN -0.033 8.928 8.310 1.085 0.000 0.462 620 R N -2.726 117.855 120.500 0.134 0.000 1.383 620 R HA -0.379 4.071 4.340 0.066 -0.070 0.410 620 R C -1.758 174.578 176.300 0.060 0.000 1.316 620 R CA 0.726 56.868 56.100 0.070 0.000 1.123 620 R CB -0.540 29.775 30.300 0.024 0.000 3.323 620 R HN 0.047 8.306 8.270 0.154 0.104 0.492 621 V N -3.125 116.827 119.914 0.063 0.000 4.868 621 V HA -0.539 3.634 4.120 0.088 0.000 0.274 621 V C 0.879 177.025 176.094 0.087 0.000 0.450 621 V CA 0.500 62.833 62.300 0.055 0.000 0.773 621 V CB -1.157 30.629 31.823 -0.062 0.000 0.704 621 V HN 0.467 8.700 8.190 0.072 0.000 1.326 622 H N 0.335 119.433 119.070 0.048 0.000 2.255 622 H HA -0.338 4.235 4.556 0.029 0.000 0.290 622 H C -0.073 175.185 175.328 -0.116 0.000 1.087 622 H CA 3.474 59.561 56.048 0.065 0.000 1.213 622 H CB 0.121 30.019 29.762 0.227 0.000 1.349 622 H HN -0.065 8.364 8.280 0.285 0.022 0.487 623 C N -5.340 114.106 119.300 0.243 0.000 2.401 623 C HA 0.623 5.261 4.460 0.296 0.000 0.356 623 C C -1.614 173.542 174.990 0.277 0.000 1.192 623 C CA -3.112 56.098 59.018 0.321 0.000 2.028 623 C CB 3.114 31.172 27.740 0.530 0.000 2.344 623 C HN -0.246 8.226 8.230 0.403 0.000 0.525 624 F N 0.282 120.294 119.950 0.102 0.000 2.745 624 F HA 0.372 4.945 4.527 0.076 0.000 0.343 624 F C -2.867 172.923 175.800 -0.018 0.000 1.196 624 F CA -2.114 55.923 58.000 0.062 0.000 1.021 624 F CB 1.325 40.407 39.000 0.136 0.000 1.297 624 F HN 0.430 8.873 8.300 0.300 0.037 0.486 625 I N 7.181 127.619 120.570 -0.219 0.000 2.532 625 I HA 0.167 4.194 4.170 -0.460 -0.132 0.292 625 I C -1.740 174.281 176.117 -0.160 0.000 1.014 625 I CA -0.212 60.880 61.300 -0.347 0.000 1.340 625 I CB 1.660 39.519 38.000 -0.234 0.000 1.422 625 I HN -0.040 8.172 8.210 0.005 0.000 0.528 626 F N 8.178 127.965 119.950 -0.271 0.000 2.640 626 F HA 0.458 5.028 4.527 0.072 0.000 0.324 626 F C -2.731 173.119 175.800 0.082 0.000 1.077 626 F CA -1.995 55.993 58.000 -0.020 0.000 0.965 626 F CB 4.533 43.498 39.000 -0.058 0.000 1.351 626 F HN 0.700 8.862 8.300 0.004 0.140 0.487 627 K N 2.403 122.130 120.400 -1.121 0.000 2.535 627 K HA 0.514 4.716 4.320 -0.408 -0.126 0.251 627 K C -1.967 174.107 176.600 -0.876 0.000 0.942 627 K CA -1.231 54.628 56.287 -0.713 0.000 0.798 627 K CB 2.939 35.155 32.500 -0.473 0.000 1.267 627 K HN 0.084 7.054 8.250 -2.134 0.000 0.434 628 K N 2.694 122.901 120.400 -0.322 0.000 2.571 628 K HA 0.254 4.467 4.320 -0.179 0.000 0.289 628 K C -2.584 174.016 176.600 0.000 0.000 1.028 628 K CA -1.417 54.810 56.287 -0.099 0.000 0.895 628 K CB 4.028 36.663 32.500 0.224 0.000 1.534 628 K HN 0.786 8.925 8.250 -0.185 0.000 0.421 629 R N -0.850 119.664 120.500 0.023 0.000 2.570 629 R HA -0.097 4.484 4.340 -0.009 -0.247 0.277 629 R C 1.272 177.591 176.300 0.033 0.000 1.039 629 R CA 1.263 57.372 56.100 0.015 0.000 1.065 629 R CB 0.000 30.308 30.300 0.013 0.000 0.964 629 R HN 0.341 8.630 8.270 0.032 0.000 0.428 630 H N 7.485 126.476 119.070 -0.131 0.000 2.357 630 H HA -0.332 4.171 4.556 -0.273 -0.110 0.296 630 H C 0.058 175.270 175.328 -0.194 0.000 1.108 630 H CA 2.687 58.559 56.048 -0.294 0.000 1.273 630 H CB 0.336 29.700 29.762 -0.663 0.000 1.367 630 H HN 0.426 8.744 8.280 0.063 0.000 0.498 631 A N -1.150 121.598 122.820 -0.120 0.000 1.758 631 A HA -0.274 4.009 4.320 -0.061 0.000 0.226 631 A C -0.843 176.609 177.584 -0.220 0.000 1.327 631 A CA 0.045 52.003 52.037 -0.132 0.000 0.681 631 A CB -1.074 17.858 19.000 -0.114 0.000 1.173 631 A HN 0.059 8.216 8.150 0.020 0.005 0.234 632 V N 0.730 120.631 119.914 -0.022 0.000 3.393 632 V HA -0.233 4.032 4.120 0.242 0.000 0.296 632 V C 0.956 177.006 176.094 -0.073 0.000 1.204 632 V CA 1.185 63.480 62.300 -0.009 0.000 1.323 632 V CB 1.386 33.083 31.823 -0.211 0.000 1.017 632 V HN -0.150 8.039 8.190 -0.002 0.000 0.511 633 G N 2.631 111.439 108.800 0.014 0.000 2.380 633 G HA2 -0.077 3.878 3.960 -0.009 0.000 0.242 633 G HA3 -0.077 3.930 3.960 0.078 0.000 0.242 633 G C -1.304 173.632 174.900 0.060 0.000 1.298 633 G CA -0.383 44.737 45.100 0.033 0.000 0.878 633 G HN 0.143 8.488 8.290 0.091 0.000 0.542 634 K N 2.890 123.317 120.400 0.045 0.000 2.395 634 K HA -0.140 4.220 4.320 0.067 0.000 0.283 634 K C -0.244 176.423 176.600 0.112 0.000 1.068 634 K CA 0.966 57.294 56.287 0.067 0.000 1.039 634 K CB -0.623 31.898 32.500 0.035 0.000 0.924 634 K HN 0.155 8.419 8.250 0.023 0.000 0.468 635 S N 3.072 118.881 115.700 0.182 0.000 3.578 635 S HA -0.187 4.361 4.470 0.129 0.000 0.725 635 S C -0.590 174.123 174.600 0.188 0.000 0.868 635 S CA -0.116 58.178 58.200 0.155 0.000 1.156 635 S CB -0.225 63.026 63.200 0.084 0.000 0.743 635 S HN 0.214 8.662 8.310 0.229 0.000 0.344 636 M N -0.485 119.124 119.600 0.016 0.000 7.319 636 M HA -0.442 3.932 4.480 -0.176 0.000 0.310 636 M C -0.334 175.778 176.300 -0.314 0.000 0.480 636 M CA 1.875 57.110 55.300 -0.108 0.000 1.311 636 M CB -0.604 31.998 32.600 0.003 0.000 0.421 636 M HN 0.226 8.513 8.290 -0.005 0.000 0.722 637 Y N -4.400 115.921 120.300 0.035 0.000 2.534 637 Y HA -0.246 4.331 4.550 0.046 0.000 0.374 637 Y C -1.641 174.278 175.900 0.033 0.000 1.685 637 Y CA 0.604 58.728 58.100 0.041 0.000 1.419 637 Y CB -0.852 37.637 38.460 0.049 0.000 2.036 637 Y HN -0.203 8.141 8.280 0.107 0.000 0.267 638 E N 0.834 121.221 120.200 0.313 0.000 3.100 638 E HA 0.078 4.415 4.350 -0.021 0.000 0.191 638 E C -0.842 175.951 176.600 0.321 0.000 1.097 638 E CA -0.284 56.214 56.400 0.164 0.000 1.339 638 E CB 0.803 30.553 29.700 0.085 0.000 1.330 638 E HN 0.080 8.689 8.360 0.415 0.000 0.511 639 S N 1.107 116.960 115.700 0.254 0.000 2.474 639 S HA 0.386 4.954 4.470 0.163 0.000 0.320 639 S C -1.594 173.076 174.600 0.117 0.000 1.067 639 S CA -2.192 56.108 58.200 0.166 0.000 1.127 639 S CB 0.635 63.892 63.200 0.095 0.000 0.971 639 S HN -0.430 8.010 8.310 0.216 0.000 0.472 640 P HA -0.001 4.257 4.420 -0.269 0.000 0.327 640 P C -1.268 175.991 177.300 -0.067 0.000 1.342 640 P CA -0.400 62.596 63.100 -0.175 0.000 0.761 640 P CB 0.620 32.128 31.700 -0.319 0.000 1.675 641 A N -2.494 120.278 122.820 -0.081 0.000 3.339 641 A HA 0.054 4.373 4.320 -0.001 0.000 0.219 641 A C -1.156 176.416 177.584 -0.020 0.000 0.974 641 A CA -0.156 51.862 52.037 -0.032 0.000 1.050 641 A CB 0.662 19.602 19.000 -0.100 0.000 1.271 641 A HN -0.098 7.979 8.150 -0.122 0.000 0.565 642 Q N 0.013 119.798 119.800 -0.025 0.000 2.304 642 Q HA -0.241 4.086 4.340 -0.021 0.000 0.315 642 Q C 0.463 176.462 176.000 -0.002 0.000 1.075 642 Q CA 1.380 57.174 55.803 -0.015 0.000 0.988 642 Q CB 0.412 29.142 28.738 -0.013 0.000 1.146 642 Q HN 0.025 8.275 8.270 -0.032 0.000 0.383 643 G N 3.015 111.815 108.800 0.000 0.000 2.484 643 G HA2 -0.324 3.634 3.960 -0.004 0.000 0.225 643 G HA3 -0.324 3.637 3.960 0.001 0.000 0.225 643 G C -1.936 172.971 174.900 0.012 0.000 1.250 643 G CA -0.730 44.371 45.100 0.002 0.000 0.926 643 G HN 0.103 8.391 8.290 -0.003 0.000 0.581 644 L N -1.766 119.464 121.223 0.012 0.000 3.434 644 L HA -0.419 4.158 4.340 0.012 -0.230 0.332 644 L C -1.272 175.599 176.870 0.002 0.000 1.130 644 L CA 0.793 55.651 54.840 0.031 0.000 1.259 644 L CB -0.440 41.685 42.059 0.111 0.000 1.246 644 L HN 0.178 8.410 8.230 0.003 0.000 0.520 645 D N -2.721 117.678 120.400 -0.002 0.000 2.795 645 D HA 0.166 4.937 4.640 -0.049 -0.160 0.206 645 D C -1.724 174.504 176.300 -0.119 0.000 1.278 645 D CA -0.314 53.638 54.000 -0.081 0.000 0.839 645 D CB 3.239 43.935 40.800 -0.172 0.000 1.700 645 D HN 0.153 8.638 8.370 0.049 -0.085 0.549 646 D N 2.182 122.504 120.400 -0.129 0.000 2.332 646 D HA 0.375 4.919 4.640 -0.160 0.000 0.252 646 D C -0.937 175.091 176.300 -0.452 0.000 1.050 646 D CA -0.487 53.358 54.000 -0.258 0.000 0.970 646 D CB 3.851 44.454 40.800 -0.329 0.000 1.141 646 D HN 0.579 8.784 8.370 -0.076 0.119 0.485 647 I N -6.251 113.984 120.570 -0.559 0.000 2.707 647 I HA 0.400 4.434 4.170 -0.373 -0.088 0.309 647 I C -0.755 174.938 176.117 -0.707 0.000 1.001 647 I CA -1.616 59.405 61.300 -0.465 0.000 1.129 647 I CB 2.191 40.083 38.000 -0.181 0.000 1.308 647 I HN 0.316 8.225 8.210 -0.502 0.000 0.466 648 W N 1.535 122.822 121.300 -0.021 0.000 2.563 648 W HA 0.429 5.279 4.660 0.013 -0.182 0.301 648 W C -1.072 175.442 176.519 -0.008 0.000 1.006 648 W CA -1.741 55.628 57.345 0.040 0.000 1.382 648 W CB 2.485 32.084 29.460 0.232 0.000 1.262 648 W HN 1.103 9.201 8.180 0.042 0.107 0.403 649 Y N 5.592 125.964 120.300 0.120 0.000 2.496 649 Y HA -0.145 4.404 4.550 -0.003 0.000 0.334 649 Y C -1.869 174.064 175.900 0.055 0.000 1.080 649 Y CA 1.105 59.248 58.100 0.073 0.000 1.355 649 Y CB 0.534 39.090 38.460 0.161 0.000 1.193 649 Y HN 0.605 9.004 8.280 0.292 0.057 0.523 650 C N 7.496 126.869 119.300 0.122 0.000 2.478 650 C HA 0.207 4.906 4.460 0.235 -0.098 0.334 650 C C -1.490 173.638 174.990 0.230 0.000 1.106 650 C CA -1.207 57.834 59.018 0.038 0.000 1.363 650 C CB 2.367 29.760 27.740 -0.579 0.000 1.941 650 C HN 0.860 8.826 8.230 -0.224 0.130 0.436 651 H N 6.025 125.241 119.070 0.244 0.000 2.848 651 H HA -0.102 4.656 4.556 0.228 -0.064 0.341 651 H C 0.364 175.807 175.328 0.192 0.000 1.060 651 H CA 2.121 58.279 56.048 0.183 0.000 1.444 651 H CB 1.099 30.875 29.762 0.024 0.000 1.446 651 H HN 0.454 8.975 8.280 0.401 0.000 0.583 652 T N 5.727 120.076 114.554 -0.342 0.000 2.993 652 T HA 0.142 4.575 4.350 -0.019 -0.094 0.260 652 T C 0.649 175.171 174.700 -0.297 0.000 0.939 652 T CA -0.346 61.670 62.100 -0.140 0.000 0.886 652 T CB 1.486 70.394 68.868 0.067 0.000 1.209 652 T HN -0.027 7.842 8.240 -0.618 0.000 0.518 653 G N 2.019 110.458 108.800 -0.601 0.000 2.518 653 G HA2 -0.117 3.758 3.960 -0.142 0.000 0.284 653 G HA3 -0.117 3.687 3.960 -0.323 -0.037 0.284 653 G C -0.123 174.696 174.900 -0.135 0.000 1.362 653 G CA -0.321 44.594 45.100 -0.308 0.000 1.065 653 G HN 0.036 7.615 8.290 -1.001 0.110 0.561 654 T N -0.619 113.943 114.554 0.014 0.000 3.081 654 T HA -0.063 4.314 4.350 0.045 0.000 0.255 654 T C -0.691 174.090 174.700 0.135 0.000 1.113 654 T CA 1.815 63.956 62.100 0.069 0.000 1.082 654 T CB 0.016 68.927 68.868 0.073 0.000 0.939 654 T HN 0.265 8.538 8.240 0.055 0.000 0.506 655 N N -0.502 118.330 118.700 0.219 0.000 2.849 655 N HA 0.206 5.052 4.740 0.177 0.000 0.307 655 N C -2.250 173.321 175.510 0.103 0.000 1.370 655 N CA -0.918 52.271 53.050 0.232 0.000 0.790 655 N CB 2.207 40.965 38.487 0.452 0.000 1.117 655 N HN -0.249 8.184 8.380 0.185 0.059 0.495 656 V N -5.240 114.477 119.914 -0.329 0.000 2.733 656 V HA 0.345 3.723 4.120 -1.236 0.000 0.306 656 V C -1.684 173.527 176.094 -1.472 0.000 1.084 656 V CA -2.507 59.242 62.300 -0.918 0.000 0.905 656 V CB 2.481 34.300 31.823 -0.008 0.000 1.010 656 V HN 0.194 8.362 8.190 -0.036 0.000 0.424 657 S N 3.359 117.903 115.700 -1.926 0.000 2.689 657 S HA 0.533 4.084 4.470 -1.939 -0.244 0.306 657 S C -1.451 172.182 174.600 -1.612 0.000 1.104 657 S CA -2.251 55.024 58.200 -1.541 0.000 0.973 657 S CB 3.153 66.293 63.200 -0.099 0.000 1.121 657 S HN -0.370 6.827 8.310 -1.855 0.000 0.523 658 Y N -5.367 114.821 120.300 -0.186 0.000 2.840 658 Y HA 0.428 4.828 4.550 -0.354 -0.063 0.324 658 Y C -1.186 174.475 175.900 -0.399 0.000 1.378 658 Y CA -1.472 56.452 58.100 -0.294 0.000 1.077 658 Y CB 2.834 41.251 38.460 -0.072 0.000 1.361 658 Y HN -0.337 7.558 8.280 -0.641 0.000 0.459 659 L N 0.557 121.769 121.223 -0.019 0.000 2.470 659 L HA 0.355 4.717 4.340 0.037 0.000 0.253 659 L C -0.520 176.433 176.870 0.139 0.000 1.163 659 L CA -0.576 54.312 54.840 0.080 0.000 0.932 659 L CB 0.583 42.835 42.059 0.321 0.000 1.213 659 L HN -0.202 8.050 8.230 0.036 0.000 0.485 660 N N 3.445 122.197 118.700 0.087 0.000 2.568 660 N HA -0.449 4.303 4.740 -0.010 -0.018 0.218 660 N C -0.695 174.821 175.510 0.010 0.000 0.244 660 N CA 3.780 56.850 53.050 0.034 0.000 4.081 660 N CB -1.047 37.479 38.487 0.064 0.000 0.872 660 N HN 0.150 8.586 8.380 0.092 0.000 0.235 661 N N -2.150 116.582 118.700 0.054 0.000 2.118 661 N HA 0.140 4.891 4.740 0.019 0.000 0.226 661 N C -1.558 173.958 175.510 0.010 0.000 1.305 661 N CA 0.059 53.129 53.050 0.035 0.000 0.890 661 N CB 2.269 40.786 38.487 0.049 0.000 1.118 661 N HN 0.280 8.663 8.380 0.106 0.060 0.511 662 N N 0.981 119.663 118.700 -0.030 0.000 2.457 662 N HA 0.061 4.686 4.740 -0.193 0.000 0.250 662 N C -1.575 173.845 175.510 -0.151 0.000 0.982 662 N CA -0.220 52.684 53.050 -0.245 0.000 0.941 662 N CB 1.035 39.037 38.487 -0.808 0.000 1.120 662 N HN -0.719 7.684 8.380 0.038 0.000 0.505 663 R N 5.590 126.058 120.500 -0.053 0.000 2.248 663 R HA -0.021 4.568 4.340 0.415 0.000 0.328 663 R C -1.136 175.204 176.300 0.068 0.000 1.067 663 R CA -0.255 55.925 56.100 0.134 0.000 0.924 663 R CB 0.279 30.603 30.300 0.039 0.000 1.013 663 R HN 0.334 8.560 8.270 -0.074 0.000 0.454 664 M N 5.332 124.992 119.600 0.101 0.000 2.291 664 M HA 0.048 4.508 4.480 -0.033 0.000 0.324 664 M C 0.118 176.435 176.300 0.028 0.000 1.148 664 M CA -0.232 55.065 55.300 -0.005 0.000 1.104 664 M CB 1.587 34.165 32.600 -0.037 0.000 1.483 664 M HN -0.192 8.240 8.290 0.238 0.000 0.467 665 I N -1.865 118.738 120.570 0.054 0.000 2.859 665 I HA 0.185 4.391 4.170 0.060 0.000 0.296 665 I C -1.592 174.605 176.117 0.133 0.000 1.300 665 I CA -1.576 59.768 61.300 0.073 0.000 1.020 665 I CB -1.001 37.028 38.000 0.048 0.000 1.823 665 I HN -0.062 8.182 8.210 0.057 0.000 0.599 666 Q N 3.134 123.105 119.800 0.284 0.000 3.246 666 Q HA -0.309 4.289 4.340 0.429 0.000 0.025 666 Q C 1.052 177.140 176.000 0.147 0.000 1.717 666 Q CA 0.985 56.965 55.803 0.295 0.000 0.236 666 Q CB 0.131 28.971 28.738 0.168 0.000 0.610 666 Q HN -0.474 7.982 8.270 0.310 0.000 0.322 667 G N 1.979 110.833 108.800 0.091 0.000 2.449 667 G HA2 -0.525 3.503 3.960 0.109 0.000 0.304 667 G HA3 -0.525 3.472 3.960 0.062 0.000 0.304 667 G C -1.361 173.608 174.900 0.115 0.000 0.962 667 G CA 1.110 46.266 45.100 0.093 0.000 0.943 667 G HN 0.631 8.827 8.290 0.024 0.108 0.514 668 T N -4.724 109.922 114.554 0.153 0.000 2.932 668 T HA 0.213 4.696 4.350 0.095 -0.077 0.289 668 T C -1.990 172.805 174.700 0.158 0.000 1.039 668 T CA -1.989 60.189 62.100 0.130 0.000 1.024 668 T CB 2.905 71.842 68.868 0.115 0.000 1.090 668 T HN -0.222 8.110 8.240 0.194 0.025 0.496 669 K N 0.574 121.061 120.400 0.145 0.000 2.350 669 K HA 0.448 4.964 4.320 0.166 -0.096 0.241 669 K C -2.475 174.371 176.600 0.410 0.000 0.994 669 K CA -1.401 54.998 56.287 0.186 0.000 0.839 669 K CB 4.160 36.676 32.500 0.026 0.000 1.244 669 K HN 0.979 9.180 8.250 0.118 0.120 0.443 670 F N 0.603 120.745 119.950 0.320 0.000 2.719 670 F HA 0.193 4.931 4.527 0.352 0.000 0.309 670 F C -2.670 173.411 175.800 0.469 0.000 1.138 670 F CA -1.583 56.634 58.000 0.361 0.000 0.943 670 F CB 3.807 42.916 39.000 0.181 0.000 1.304 670 F HN 0.528 9.086 8.300 0.553 0.074 0.445 671 L N 1.851 122.721 121.223 -0.589 0.000 2.399 671 L HA 0.230 4.134 4.340 -1.018 -0.175 0.266 671 L C -1.537 174.898 176.870 -0.725 0.000 1.114 671 L CA -0.821 53.516 54.840 -0.838 0.000 0.804 671 L CB 1.771 43.332 42.059 -0.830 0.000 1.146 671 L HN 0.270 7.824 8.230 -1.126 0.000 0.451 672 L N 1.245 122.185 121.223 -0.471 0.000 2.303 672 L HA 0.545 4.899 4.340 -0.181 -0.123 0.266 672 L C -1.186 175.585 176.870 -0.165 0.000 1.011 672 L CA -1.631 53.082 54.840 -0.211 0.000 0.818 672 L CB 3.889 45.915 42.059 -0.055 0.000 1.326 672 L HN -0.488 7.392 8.230 -0.584 0.000 0.435 673 Q N -2.800 116.954 119.800 -0.076 0.000 2.857 673 Q HA 0.202 4.520 4.340 -0.037 0.000 0.319 673 Q C -2.091 173.894 176.000 -0.024 0.000 0.963 673 Q CA -1.830 53.946 55.803 -0.045 0.000 0.770 673 Q CB 3.861 32.567 28.738 -0.054 0.000 1.492 673 Q HN -0.049 8.406 8.270 -0.046 -0.213 0.493 674 D N -2.011 118.372 120.400 -0.028 0.000 2.350 674 D HA -0.092 4.504 4.640 -0.074 0.000 0.249 674 D C 0.874 177.149 176.300 -0.042 0.000 1.119 674 D CA 0.397 54.369 54.000 -0.048 0.000 0.886 674 D CB -0.293 40.480 40.800 -0.045 0.000 1.195 674 D HN 0.062 8.416 8.370 -0.027 0.000 0.437 675 G N 2.354 111.124 108.800 -0.049 0.000 2.295 675 G HA2 -0.479 3.556 3.960 -0.028 0.000 0.287 675 G HA3 -0.479 3.465 3.960 -0.026 0.000 0.287 675 G C -0.616 174.281 174.900 -0.004 0.000 1.055 675 G CA 0.607 45.691 45.100 -0.027 0.000 0.922 675 G HN 0.315 8.491 8.290 -0.075 0.069 0.503 676 D N 0.424 120.827 120.400 0.005 0.000 2.524 676 D HA 0.076 4.737 4.640 0.035 0.000 0.222 676 D C -0.412 175.935 176.300 0.078 0.000 1.142 676 D CA -0.969 53.055 54.000 0.039 0.000 0.973 676 D CB -0.078 40.746 40.800 0.039 0.000 1.025 676 D HN -0.536 7.822 8.370 -0.012 0.004 0.519 677 E N 3.081 123.321 120.200 0.067 0.000 2.606 677 E HA -0.263 4.263 4.350 0.126 -0.100 0.248 677 E C -0.924 175.756 176.600 0.134 0.000 1.005 677 E CA 1.281 57.738 56.400 0.095 0.000 0.946 677 E CB 0.250 29.974 29.700 0.040 0.000 0.928 677 E HN -0.521 7.864 8.360 0.042 0.000 0.494 678 I N -2.892 117.813 120.570 0.225 0.000 3.205 678 I HA 0.545 4.898 4.170 0.175 -0.078 0.310 678 I C -1.350 174.951 176.117 0.306 0.000 1.089 678 I CA -2.663 58.792 61.300 0.258 0.000 1.023 678 I CB 3.081 41.331 38.000 0.417 0.000 1.269 678 I HN -0.593 7.701 8.210 0.278 0.083 0.512 679 K N 0.664 121.265 120.400 0.335 0.000 2.950 679 K HA 0.406 5.195 4.320 0.386 -0.238 0.199 679 K C 1.146 178.008 176.600 0.435 0.000 1.144 679 K CA -1.095 55.441 56.287 0.415 0.000 0.983 679 K CB 1.209 33.937 32.500 0.380 0.000 1.187 679 K HN -0.343 8.066 8.250 0.264 0.000 0.595 680 I N 0.416 121.245 120.570 0.432 0.000 2.191 680 I HA -0.398 4.031 4.170 0.433 0.000 0.248 680 I C -0.355 175.989 176.117 0.379 0.000 1.061 680 I CA 2.675 64.220 61.300 0.408 0.000 1.329 680 I CB 0.157 38.410 38.000 0.421 0.000 1.024 680 I HN 0.047 8.564 8.210 0.512 0.000 0.423 681 I N -5.955 114.896 120.570 0.469 0.000 3.095 681 I HA 0.097 4.654 4.170 0.645 0.000 0.310 681 I C -2.225 174.372 176.117 0.799 0.000 1.196 681 I CA -1.601 60.062 61.300 0.605 0.000 0.985 681 I CB 4.301 42.565 38.000 0.441 0.000 1.250 681 I HN -0.684 7.782 8.210 0.458 0.018 0.446 682 W N 4.430 126.023 121.300 0.488 0.000 2.783 682 W HA 0.201 4.997 4.660 0.228 0.000 0.304 682 W C -2.887 173.735 176.519 0.172 0.000 1.056 682 W CA -0.973 56.518 57.345 0.244 0.000 1.175 682 W CB 1.287 30.743 29.460 -0.007 0.000 1.029 682 W HN 0.041 8.659 8.180 0.730 0.000 0.331 683 D N 9.105 129.757 120.400 0.420 0.000 2.434 683 D HA 0.298 4.912 4.640 -0.043 0.000 0.275 683 D C 0.149 176.539 176.300 0.150 0.000 1.172 683 D CA -1.030 53.056 54.000 0.143 0.000 0.916 683 D CB 0.666 41.565 40.800 0.165 0.000 1.041 683 D HN 0.142 8.756 8.370 0.589 0.109 0.501 684 K N 2.668 123.086 120.400 0.031 0.000 2.286 684 K HA -0.333 4.128 4.320 0.236 0.000 0.203 684 K C 1.999 178.637 176.600 0.063 0.000 1.045 684 K CA 2.804 59.160 56.287 0.114 0.000 0.935 684 K CB -0.098 32.425 32.500 0.039 0.000 0.737 684 K HN 0.375 8.472 8.250 -0.255 0.000 0.460 685 N N -1.018 117.688 118.700 0.011 0.000 2.149 685 N HA -0.187 4.554 4.740 0.003 0.000 0.188 685 N C 0.918 176.454 175.510 0.043 0.000 1.019 685 N CA 2.315 55.371 53.050 0.010 0.000 0.857 685 N CB 0.038 38.515 38.487 -0.017 0.000 0.997 685 N HN 0.101 8.422 8.380 -0.031 0.041 0.426 686 N N -2.256 116.491 118.700 0.077 0.000 2.416 686 N HA 0.125 4.909 4.740 0.073 0.000 0.267 686 N C -2.246 173.364 175.510 0.167 0.000 1.294 686 N CA -0.437 52.671 53.050 0.097 0.000 0.891 686 N CB 0.429 38.957 38.487 0.068 0.000 1.238 686 N HN -0.705 7.719 8.380 0.092 0.011 0.508 687 K N -0.974 119.526 120.400 0.167 0.000 4.856 687 K HA -0.408 4.011 4.320 0.165 0.000 0.306 687 K C -1.308 175.450 176.600 0.262 0.000 0.895 687 K CA 1.411 57.804 56.287 0.176 0.000 0.963 687 K CB -1.637 30.933 32.500 0.117 0.000 1.737 687 K HN -0.524 7.657 8.250 0.139 0.152 0.424 688 F N 2.792 122.812 119.950 0.118 0.000 3.228 688 F HA 0.206 4.786 4.527 0.088 0.000 0.390 688 F C -2.603 173.305 175.800 0.180 0.000 1.235 688 F CA -0.643 57.428 58.000 0.118 0.000 1.236 688 F CB 1.950 41.011 39.000 0.100 0.000 1.855 688 F HN -0.613 7.902 8.300 0.358 0.000 0.647 689 V N 0.927 120.864 119.914 0.038 0.000 2.823 689 V HA 0.575 5.031 4.120 0.324 -0.141 0.312 689 V C -2.219 173.852 176.094 -0.038 0.000 1.072 689 V CA -2.582 59.789 62.300 0.118 0.000 0.937 689 V CB 4.183 36.039 31.823 0.055 0.000 1.013 689 V HN -0.468 7.660 8.190 -0.104 0.000 0.430 690 I N 2.629 123.249 120.570 0.084 0.000 2.682 690 I HA 0.409 4.528 4.170 -0.086 0.000 0.302 690 I C 0.213 176.376 176.117 0.077 0.000 1.180 690 I CA -1.452 59.888 61.300 0.067 0.000 1.146 690 I CB -1.113 37.052 38.000 0.275 0.000 1.756 690 I HN -0.052 8.288 8.210 0.216 0.000 0.559 691 G N 2.510 111.266 108.800 -0.075 0.000 2.225 691 G HA2 -0.063 3.895 3.960 -0.004 0.000 0.245 691 G HA3 -0.063 3.820 3.960 -0.128 0.000 0.245 691 G C -1.802 173.013 174.900 -0.142 0.000 1.249 691 G CA 0.598 45.653 45.100 -0.076 0.000 0.919 691 G HN -0.364 7.806 8.290 -0.118 0.049 0.486 692 F N 4.311 124.273 119.950 0.020 0.000 2.629 692 F HA 0.192 4.816 4.527 0.019 -0.086 0.316 692 F C -1.815 173.995 175.800 0.018 0.000 1.081 692 F CA -1.346 56.675 58.000 0.034 0.000 0.954 692 F CB 5.492 44.546 39.000 0.090 0.000 1.337 692 F HN 0.165 8.595 8.300 0.217 0.000 0.474 693 K N 1.962 122.534 120.400 0.286 0.000 2.664 693 K HA 0.220 4.604 4.320 0.106 0.000 0.234 693 K C -1.833 174.821 176.600 0.089 0.000 0.980 693 K CA -1.393 54.971 56.287 0.127 0.000 0.996 693 K CB 1.684 34.215 32.500 0.052 0.000 1.190 693 K HN 0.370 8.845 8.250 0.416 0.025 0.479 694 V N 8.764 128.710 119.914 0.054 0.000 2.458 694 V HA -0.214 3.859 4.120 -0.079 0.000 0.287 694 V C -1.564 174.474 176.094 -0.094 0.000 1.009 694 V CA 1.443 63.715 62.300 -0.047 0.000 1.091 694 V CB 0.018 31.818 31.823 -0.039 0.000 0.960 694 V HN 0.044 8.175 8.190 0.081 0.109 0.476 695 E N 8.963 129.075 120.200 -0.148 0.000 2.207 695 E HA 0.258 4.539 4.350 -0.115 0.000 0.250 695 E C -1.196 175.257 176.600 -0.245 0.000 0.890 695 E CA -2.117 54.194 56.400 -0.149 0.000 0.749 695 E CB 1.810 31.451 29.700 -0.100 0.000 1.193 695 E HN -0.257 7.895 8.360 -0.171 0.105 0.423 696 I N 7.598 128.014 120.570 -0.257 0.000 2.421 696 I HA -0.087 3.976 4.170 -0.570 -0.235 0.291 696 I C -0.239 175.776 176.117 -0.170 0.000 1.089 696 I CA 0.947 62.054 61.300 -0.321 0.000 1.354 696 I CB -0.681 37.204 38.000 -0.192 0.000 1.413 696 I HN 0.524 8.621 8.210 -0.189 0.000 0.513 697 N N 7.654 126.257 118.700 -0.163 0.000 2.415 697 N HA -0.003 4.692 4.740 -0.075 0.000 0.174 697 N C -0.118 175.368 175.510 -0.040 0.000 1.048 697 N CA 1.331 54.329 53.050 -0.086 0.000 0.895 697 N CB 1.203 39.638 38.487 -0.087 0.000 1.036 697 N HN -0.026 8.214 8.380 -0.233 0.000 0.449 698 D N -0.954 119.439 120.400 -0.011 0.000 2.278 698 D HA 0.027 4.674 4.640 0.012 0.000 0.228 698 D C 0.175 176.501 176.300 0.043 0.000 1.020 698 D CA 1.469 55.489 54.000 0.032 0.000 0.922 698 D CB 0.851 41.699 40.800 0.080 0.000 1.051 698 D HN -0.594 7.758 8.370 -0.029 0.000 0.452 699 T N -4.420 110.194 114.554 0.100 0.000 5.060 699 T HA -0.402 4.010 4.350 0.103 0.000 0.309 699 T C 0.879 175.590 174.700 0.019 0.000 1.248 699 T CA 1.405 63.544 62.100 0.065 0.000 2.322 699 T CB -1.157 67.723 68.868 0.020 0.000 1.982 699 T HN 0.298 8.655 8.240 0.195 0.000 0.955 700 T N 1.581 116.147 114.554 0.021 0.000 2.486 700 T HA -0.327 4.020 4.350 -0.005 0.000 0.257 700 T C 1.455 176.148 174.700 -0.013 0.000 1.175 700 T CA 2.693 64.793 62.100 -0.000 0.000 1.207 700 T CB -0.289 68.581 68.868 0.003 0.000 0.864 700 T HN -0.073 8.139 8.240 0.042 0.053 0.405 701 G N -0.158 108.633 108.800 -0.016 0.000 3.233 701 G HA2 0.015 3.963 3.960 -0.021 0.000 0.234 701 G HA3 0.015 3.963 3.960 -0.021 0.000 0.234 701 G C -1.663 173.225 174.900 -0.020 0.000 1.137 701 G CA -0.577 44.510 45.100 -0.021 0.000 0.763 701 G HN -0.172 8.109 8.290 -0.015 0.000 0.549 702 L N 2.260 123.468 121.223 -0.024 0.000 2.615 702 L HA -0.103 4.206 4.340 -0.052 0.000 0.271 702 L C -0.878 175.994 176.870 0.003 0.000 1.183 702 L CA -0.094 54.733 54.840 -0.021 0.000 0.933 702 L CB -0.595 41.470 42.059 0.010 0.000 1.199 702 L HN -0.405 7.644 8.230 -0.014 0.172 0.487 703 F N 8.030 127.918 119.950 -0.103 0.000 2.646 703 F HA -0.401 4.041 4.527 -0.141 0.000 0.363 703 F C 0.031 175.764 175.800 -0.112 0.000 1.143 703 F CA 1.561 59.482 58.000 -0.131 0.000 1.356 703 F CB 0.937 39.843 39.000 -0.157 0.000 1.055 703 F HN -0.075 8.415 8.300 0.183 -0.081 0.606 704 N N 3.330 121.205 118.700 -1.375 0.000 2.732 704 N HA -0.508 3.704 4.740 -0.879 0.000 0.250 704 N C -0.758 174.506 175.510 -0.409 0.000 1.097 704 N CA 1.493 53.952 53.050 -0.985 0.000 0.812 704 N CB -1.269 36.560 38.487 -1.096 0.000 1.148 704 N HN 0.479 8.031 8.380 -1.379 0.000 0.572 705 E N -4.595 115.438 120.200 -0.277 0.000 2.604 705 E HA -0.409 3.949 4.350 -0.089 -0.062 0.255 705 E C -0.728 175.820 176.600 -0.086 0.000 1.164 705 E CA 1.460 57.779 56.400 -0.134 0.000 0.737 705 E CB -1.241 28.381 29.700 -0.131 0.000 1.317 705 E HN -0.141 7.963 8.360 -0.298 0.077 0.417 706 G N -2.290 106.464 108.800 -0.077 0.000 2.434 706 G HA2 -0.295 3.661 3.960 -0.006 0.000 0.224 706 G HA3 -0.295 3.681 3.960 0.027 0.000 0.224 706 G C -1.737 173.130 174.900 -0.055 0.000 0.807 706 G CA 0.855 45.942 45.100 -0.022 0.000 1.113 706 G HN -0.320 7.859 8.290 -0.116 0.042 0.327 707 L N 4.243 125.425 121.223 -0.069 0.000 3.659 707 L HA 0.030 4.760 4.340 -0.050 -0.421 0.372 707 L C -0.532 176.307 176.870 -0.052 0.000 1.332 707 L CA -0.046 54.756 54.840 -0.063 0.000 1.045 707 L CB 1.267 43.276 42.059 -0.083 0.000 1.360 707 L HN -0.400 7.787 8.230 -0.072 0.000 0.600 708 G N 0.081 108.856 108.800 -0.041 0.000 2.196 708 G HA2 -0.360 3.573 3.960 -0.017 0.000 0.261 708 G HA3 -0.360 3.747 3.960 -0.018 -0.157 0.261 708 G C 0.768 175.658 174.900 -0.017 0.000 0.832 708 G CA 0.527 45.613 45.100 -0.022 0.000 1.246 708 G HN -0.128 8.137 8.290 -0.041 0.000 0.383 709 M N 2.035 121.624 119.600 -0.019 0.000 3.698 709 M HA -0.103 4.357 4.480 -0.034 0.000 0.183 709 M C -1.187 175.124 176.300 0.019 0.000 1.633 709 M CA 0.909 56.198 55.300 -0.018 0.000 1.740 709 M CB -2.042 30.534 32.600 -0.041 0.000 1.191 709 M HN 0.060 8.339 8.290 -0.018 0.000 0.535 710 L N -1.687 119.547 121.223 0.018 0.000 3.042 710 L HA 0.271 4.632 4.340 0.035 0.000 0.282 710 L C -1.424 175.462 176.870 0.028 0.000 1.032 710 L CA -0.025 54.834 54.840 0.032 0.000 1.001 710 L CB 0.711 42.798 42.059 0.048 0.000 1.587 710 L HN -0.209 7.964 8.230 0.008 0.061 0.368 711 Q N -1.482 118.339 119.800 0.035 0.000 2.404 711 Q HA 0.147 4.503 4.340 0.027 0.000 0.262 711 Q C -0.119 175.906 176.000 0.043 0.000 0.846 711 Q CA 0.528 56.351 55.803 0.033 0.000 0.978 711 Q CB 1.641 30.396 28.738 0.028 0.000 1.156 711 Q HN 0.099 8.394 8.270 0.042 0.000 0.548 712 E N -2.451 117.781 120.200 0.052 0.000 2.595 712 E HA 0.085 4.479 4.350 0.074 0.000 0.377 712 E C -1.730 174.915 176.600 0.074 0.000 1.055 712 E CA 0.822 57.261 56.400 0.064 0.000 0.722 712 E CB 0.153 29.885 29.700 0.053 0.000 1.481 712 E HN -0.409 7.982 8.360 0.052 0.000 0.392 713 Q N 0.852 120.705 119.800 0.089 0.000 2.303 713 Q HA 0.143 4.539 4.340 0.093 0.000 0.303 713 Q C -1.772 174.302 176.000 0.124 0.000 0.831 713 Q CA -0.001 55.860 55.803 0.096 0.000 1.066 713 Q CB 1.248 30.035 28.738 0.082 0.000 1.354 713 Q HN 0.067 8.392 8.270 0.091 0.000 0.394 714 R N -1.527 119.075 120.500 0.170 0.000 2.713 714 R HA 0.253 4.727 4.340 0.222 0.000 0.282 714 R C -1.918 174.688 176.300 0.511 0.000 1.472 714 R CA -0.334 55.917 56.100 0.250 0.000 1.060 714 R CB 0.366 30.729 30.300 0.105 0.000 1.237 714 R HN -0.336 8.036 8.270 0.170 0.000 0.484 715 V N -2.452 117.730 119.914 0.446 0.000 2.975 715 V HA 0.222 4.434 4.120 0.153 0.000 0.318 715 V C -0.182 176.082 176.094 0.284 0.000 1.077 715 V CA -2.325 60.144 62.300 0.281 0.000 1.000 715 V CB 2.240 34.138 31.823 0.124 0.000 1.066 715 V HN -0.224 8.165 8.190 0.332 0.000 0.452 716 V N 0.846 120.607 119.914 -0.255 0.000 2.617 716 V HA -0.259 3.891 4.120 -0.069 -0.072 0.304 716 V C -0.411 175.763 176.094 0.134 0.000 1.040 716 V CA 1.691 63.896 62.300 -0.158 0.000 1.149 716 V CB 0.132 31.771 31.823 -0.306 0.000 0.914 716 V HN 0.114 8.066 8.190 -0.397 0.000 0.487 717 L N 8.723 130.098 121.223 0.253 0.000 2.296 717 L HA 0.303 4.707 4.340 0.107 0.000 0.286 717 L C -0.981 175.937 176.870 0.078 0.000 1.023 717 L CA -1.380 53.545 54.840 0.142 0.000 0.812 717 L CB 1.140 43.282 42.059 0.139 0.000 1.223 717 L HN 1.113 9.471 8.230 0.398 0.111 0.421 718 K N 2.931 123.355 120.400 0.041 0.000 2.323 718 K HA -0.260 4.087 4.320 0.044 0.000 0.259 718 K C 0.037 176.643 176.600 0.011 0.000 0.993 718 K CA 1.161 57.466 56.287 0.029 0.000 0.866 718 K CB 0.790 33.299 32.500 0.014 0.000 0.997 718 K HN 0.413 8.685 8.250 0.036 0.000 0.524 719 Q N -1.054 118.758 119.800 0.019 0.000 2.839 719 Q HA -0.268 4.091 4.340 0.032 0.000 0.229 719 Q C 0.104 176.071 176.000 -0.056 0.000 1.140 719 Q CA 1.392 57.199 55.803 0.007 0.000 1.077 719 Q CB 0.573 29.324 28.738 0.021 0.000 1.335 719 Q HN -0.346 7.942 8.270 0.031 0.000 0.610 720 T N -6.017 108.483 114.554 -0.089 0.000 2.886 720 T HA 0.177 4.462 4.350 -0.109 0.000 0.330 720 T C -0.741 173.871 174.700 -0.146 0.000 1.488 720 T CA -0.957 61.060 62.100 -0.138 0.000 1.054 720 T CB 2.346 71.078 68.868 -0.227 0.000 1.348 720 T HN -0.130 8.071 8.240 -0.065 0.000 0.489 721 A N 2.226 124.971 122.820 -0.125 0.000 2.774 721 A HA -0.417 3.851 4.320 -0.087 0.000 0.290 721 A C -0.240 177.286 177.584 -0.096 0.000 1.484 721 A CA 1.517 53.487 52.037 -0.111 0.000 0.863 721 A CB -1.186 17.726 19.000 -0.148 0.000 0.989 721 A HN 0.810 8.892 8.150 -0.112 0.000 0.554 722 E N -5.382 114.770 120.200 -0.080 0.000 2.246 722 E HA -0.451 3.867 4.350 -0.053 0.000 0.211 722 E C -0.718 175.830 176.600 -0.086 0.000 1.278 722 E CA 0.775 57.135 56.400 -0.067 0.000 0.694 722 E CB -1.490 28.175 29.700 -0.058 0.000 1.166 722 E HN 0.285 8.562 8.360 -0.076 0.038 0.370 723 E N -3.559 116.591 120.200 -0.083 0.000 2.440 723 E HA -0.541 3.810 4.350 0.002 0.000 0.246 723 E C -0.633 175.862 176.600 -0.176 0.000 1.165 723 E CA 1.693 58.026 56.400 -0.111 0.000 0.726 723 E CB -1.420 28.174 29.700 -0.178 0.000 1.271 723 E HN 0.111 8.432 8.360 -0.065 0.000 0.397 724 K N -4.381 115.910 120.400 -0.181 0.000 3.069 724 K HA -0.373 3.889 4.320 -0.141 -0.027 0.267 724 K C -0.922 175.629 176.600 -0.082 0.000 1.082 724 K CA 1.386 57.580 56.287 -0.154 0.000 0.782 724 K CB -2.327 30.038 32.500 -0.225 0.000 1.230 724 K HN 0.040 8.143 8.250 -0.169 0.046 0.488 725 D N -3.352 117.000 120.400 -0.079 0.000 2.782 725 D HA -0.381 4.254 4.640 -0.060 -0.031 0.231 725 D C -0.682 175.592 176.300 -0.044 0.000 1.163 725 D CA 1.560 55.527 54.000 -0.056 0.000 0.680 725 D CB -0.760 40.016 40.800 -0.041 0.000 1.062 725 D HN 0.225 8.259 8.370 -0.091 0.281 0.425 726 L N -9.446 111.745 121.223 -0.054 0.000 2.718 726 L HA 0.253 4.587 4.340 -0.009 0.000 0.247 726 L C 1.086 177.941 176.870 -0.024 0.000 1.028 726 L CA 1.703 56.535 54.840 -0.013 0.000 1.031 726 L CB 0.582 42.667 42.059 0.043 0.000 1.910 726 L HN -0.443 7.587 8.230 -0.088 0.147 0.526 727 V N 0.374 120.214 119.914 -0.123 0.000 3.541 727 V HA -0.191 3.995 4.120 0.110 0.000 0.267 727 V C 0.918 176.871 176.094 -0.235 0.000 1.213 727 V CA 3.230 65.403 62.300 -0.210 0.000 1.149 727 V CB -0.553 30.645 31.823 -1.042 0.000 0.822 727 V HN 0.671 8.646 8.190 -0.167 0.114 0.462 728 K N -0.406 119.893 120.400 -0.168 0.000 2.439 728 K HA -0.178 4.069 4.320 -0.121 0.000 0.197 728 K C 0.664 177.194 176.600 -0.117 0.000 1.041 728 K CA 1.160 57.373 56.287 -0.124 0.000 0.970 728 K CB -0.737 31.709 32.500 -0.091 0.000 0.773 728 K HN -0.273 7.901 8.250 -0.145 -0.011 0.479 729 K N -2.605 117.716 120.400 -0.133 0.000 2.458 729 K HA -0.048 4.209 4.320 -0.104 0.000 0.194 729 K C -0.624 175.869 176.600 -0.178 0.000 1.024 729 K CA -0.172 56.036 56.287 -0.132 0.000 1.108 729 K CB 0.227 32.655 32.500 -0.119 0.000 0.846 729 K HN -0.571 7.537 8.250 -0.135 0.061 0.518 730 L N 0.000 121.092 121.223 -0.219 0.000 2.949 730 L HA 0.000 4.196 4.340 -0.240 0.000 0.249 730 L CA 0.000 54.687 54.840 -0.255 0.000 0.813 730 L CB 0.000 41.785 42.059 -0.456 0.000 0.961 730 L HN 0.000 8.016 8.230 -0.205 0.090 0.502