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 1dpb_1_A DATA FIRST_RESID 395 DATA SEQUENCE IPPIPPVDFA KYGEIEEVPM TRLMQIGATN LHRSWLNVPH VTQFESADIT DATA SEQUENCE ELEAFRVAQK AVAEKAGVKL TVLPLLLKAC AYLLKELPDF NSSLAPSGQA DATA SEQUENCE LIRKKYVHIG FAVDTPDGLL VPVIRNVDQK SLLQLAAEAA ELAEKARSKK DATA SEQUENCE LGADAMQGAC FTISSLGHIG GTAFTPIVNA PEVAILGVSK ASMQPVWDGK DATA SEQUENCE AFQPRLMLPL SLSYDCRVIN GAAAARFTKR LGDLLADIRA ILL 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 395 I HA 0.000 nan 4.170 nan 0.000 0.288 395 I C 0.000 176.152 176.117 0.058 0.000 1.063 395 I CA 0.000 61.337 61.300 0.062 0.000 1.566 395 I CB 0.000 38.060 38.000 0.099 0.000 1.214 396 P HA 0.396 4.816 4.420 -0.000 0.000 0.267 396 P C -2.385 174.943 177.300 0.047 0.000 1.205 396 P CA -0.470 62.655 63.100 0.042 0.000 0.765 396 P CB -0.117 31.605 31.700 0.036 0.000 0.828 397 P HA 0.193 4.613 4.420 -0.000 0.000 0.274 397 P C -0.425 176.892 177.300 0.029 0.000 1.246 397 P CA -0.338 62.784 63.100 0.036 0.000 0.795 397 P CB 0.826 32.544 31.700 0.030 0.000 1.006 398 I N 2.124 122.710 120.570 0.027 0.000 2.396 398 I HA 0.155 4.326 4.170 0.001 0.000 0.289 398 I C -1.779 174.348 176.117 0.017 0.000 1.056 398 I CA -2.143 59.171 61.300 0.024 0.000 1.365 398 I CB -0.576 37.440 38.000 0.027 0.000 1.407 398 I HN 0.224 8.434 8.210 -0.000 0.000 0.509 399 P HA 0.077 4.497 4.420 -0.000 0.000 0.261 399 P C -2.174 175.112 177.300 -0.022 0.000 1.183 399 P CA -0.489 62.608 63.100 -0.005 0.000 0.761 399 P CB -0.262 31.435 31.700 -0.006 0.000 0.785 400 P HA 0.064 4.484 4.420 -0.000 0.000 0.271 400 P C -0.893 176.304 177.300 -0.171 0.000 1.216 400 P CA 0.196 63.245 63.100 -0.084 0.000 0.776 400 P CB 0.696 32.359 31.700 -0.062 0.000 0.881 401 V N 2.683 122.374 119.914 -0.372 0.000 2.628 401 V HA 0.203 4.324 4.120 0.001 0.000 0.306 401 V C 0.343 176.040 176.094 -0.661 0.000 1.045 401 V CA -0.549 61.437 62.300 -0.524 0.000 0.905 401 V CB 2.003 33.402 31.823 -0.707 0.000 0.997 401 V HN 0.598 8.788 8.190 -0.000 0.000 0.436 402 D N 2.803 122.988 120.400 -0.360 0.000 2.422 402 D HA 0.178 4.819 4.640 0.001 0.000 0.227 402 D C 0.377 176.559 176.300 -0.198 0.000 1.190 402 D CA -0.183 53.662 54.000 -0.258 0.000 0.905 402 D CB 0.711 41.418 40.800 -0.155 0.000 1.034 402 D HN 0.400 8.770 8.370 -0.000 0.000 0.507 403 F N 2.269 122.273 119.950 0.091 0.000 2.365 403 F HA -0.015 4.512 4.527 0.002 0.000 0.300 403 F C 2.485 178.351 175.800 0.110 0.000 1.090 403 F CA 0.374 58.470 58.000 0.160 0.000 1.408 403 F CB -0.378 38.682 39.000 0.100 0.000 1.060 403 F HN 0.491 8.791 8.300 -0.000 0.000 0.534 404 A N -0.288 122.621 122.820 0.149 0.000 2.206 404 A HA -0.078 4.243 4.320 0.001 0.000 0.211 404 A C 2.122 179.674 177.584 -0.053 0.000 1.158 404 A CA 0.594 52.670 52.037 0.064 0.000 0.761 404 A CB -0.571 18.449 19.000 0.033 0.000 0.801 404 A HN 0.302 8.452 8.150 -0.000 0.000 0.473 405 K N -1.281 118.989 120.400 -0.218 0.000 2.283 405 K HA -0.117 4.204 4.320 0.001 0.000 0.202 405 K C 0.722 177.014 176.600 -0.514 0.000 1.048 405 K CA 1.375 57.390 56.287 -0.452 0.000 0.948 405 K CB -0.209 31.825 32.500 -0.777 0.000 0.742 405 K HN 0.691 8.941 8.250 -0.000 0.000 0.458 406 Y N -0.427 119.905 120.300 0.053 0.000 2.449 406 Y HA 0.237 4.788 4.550 0.002 0.000 0.254 406 Y C 1.101 177.026 175.900 0.042 0.000 1.140 406 Y CA 0.022 58.152 58.100 0.050 0.000 1.272 406 Y CB 1.196 39.701 38.460 0.075 0.000 1.114 406 Y HN 0.072 8.352 8.280 -0.000 0.000 0.525 407 G N -0.831 108.046 108.800 0.129 0.000 2.333 407 G HA2 0.030 3.991 3.960 0.001 0.000 0.288 407 G HA3 0.030 3.991 3.960 0.001 0.000 0.288 407 G C -1.609 173.333 174.900 0.070 0.000 1.286 407 G CA -1.068 44.084 45.100 0.086 0.000 0.865 407 G HN -0.206 8.084 8.290 -0.000 0.000 0.506 408 E N 0.161 120.391 120.200 0.050 0.000 2.360 408 E HA 0.466 4.817 4.350 0.001 0.000 0.269 408 E C 0.045 176.672 176.600 0.045 0.000 1.022 408 E CA 0.022 56.445 56.400 0.038 0.000 0.887 408 E CB 1.021 30.735 29.700 0.024 0.000 0.990 408 E HN 0.584 8.944 8.360 -0.000 0.000 0.426 409 I N -0.652 119.946 120.570 0.047 0.000 3.145 409 I HA 0.619 4.790 4.170 0.001 0.000 0.313 409 I C -0.612 175.522 176.117 0.029 0.000 1.122 409 I CA -0.898 60.429 61.300 0.045 0.000 0.987 409 I CB 2.355 40.407 38.000 0.087 0.000 1.236 409 I HN 0.345 8.555 8.210 -0.000 0.000 0.453 410 E N 1.719 121.929 120.200 0.017 0.000 2.321 410 E HA 0.363 4.714 4.350 0.001 0.000 0.278 410 E C -1.693 174.912 176.600 0.008 0.000 0.902 410 E CA -0.597 55.809 56.400 0.010 0.000 0.758 410 E CB 2.347 32.048 29.700 0.001 0.000 1.213 410 E HN 0.742 9.102 8.360 -0.000 0.000 0.426 411 E N 2.745 122.951 120.200 0.011 0.000 2.109 411 E HA 0.303 4.654 4.350 0.001 0.000 0.278 411 E C -0.387 176.214 176.600 0.001 0.000 0.954 411 E CA -0.742 55.664 56.400 0.010 0.000 0.779 411 E CB 1.801 31.513 29.700 0.019 0.000 1.093 411 E HN 0.384 8.744 8.360 -0.000 0.000 0.401 412 V N 1.173 121.083 119.914 -0.006 0.000 2.630 412 V HA 0.694 4.814 4.120 0.001 0.000 0.305 412 V C -2.285 173.804 176.094 -0.007 0.000 1.046 412 V CA -1.839 60.456 62.300 -0.008 0.000 0.934 412 V CB 0.865 32.679 31.823 -0.014 0.000 1.003 412 V HN 0.483 8.673 8.190 -0.000 0.000 0.451 413 P HA 0.644 5.064 4.420 -0.000 0.000 0.283 413 P C -0.801 176.494 177.300 -0.007 0.000 1.271 413 P CA -0.887 62.211 63.100 -0.004 0.000 0.841 413 P CB 0.837 32.537 31.700 -0.001 0.000 1.122 414 M N 0.777 120.373 119.600 -0.007 0.000 2.233 414 M HA 0.228 4.709 4.480 0.001 0.000 0.355 414 M C 0.406 176.702 176.300 -0.005 0.000 1.191 414 M CA -0.343 54.952 55.300 -0.008 0.000 1.101 414 M CB 1.115 33.710 32.600 -0.009 0.000 1.592 414 M HN 0.470 8.760 8.290 -0.000 0.000 0.461 415 T N 0.213 114.763 114.554 -0.006 0.000 2.900 415 T HA 0.268 4.618 4.350 0.001 0.000 0.307 415 T C 1.389 176.087 174.700 -0.002 0.000 1.065 415 T CA -0.103 61.995 62.100 -0.004 0.000 1.105 415 T CB 0.949 69.814 68.868 -0.005 0.000 0.979 415 T HN 0.858 9.098 8.240 -0.000 0.000 0.544 416 R N 1.282 121.782 120.500 -0.000 0.000 2.117 416 R HA 0.004 4.345 4.340 0.001 0.000 0.243 416 R C 2.431 178.732 176.300 0.002 0.000 1.143 416 R CA 1.878 57.979 56.100 0.002 0.000 0.968 416 R CB -1.723 28.578 30.300 0.003 0.000 0.863 416 R HN 0.839 9.109 8.270 -0.000 0.000 0.444 417 L N -0.538 120.685 121.223 -0.001 0.000 2.042 417 L HA -0.191 4.150 4.340 0.001 0.000 0.210 417 L C 2.868 179.737 176.870 -0.002 0.000 1.076 417 L CA 2.126 56.965 54.840 -0.002 0.000 0.749 417 L CB -0.229 41.827 42.059 -0.004 0.000 0.893 417 L HN 0.464 8.694 8.230 -0.000 0.000 0.432 418 M N -1.238 118.359 119.600 -0.004 0.000 2.175 418 M HA -0.251 4.230 4.480 0.001 0.000 0.264 418 M C 2.174 178.472 176.300 -0.004 0.000 1.063 418 M CA 1.710 57.006 55.300 -0.007 0.000 1.119 418 M CB -0.079 32.514 32.600 -0.012 0.000 1.377 418 M HN 0.320 8.610 8.290 -0.000 0.000 0.415 419 Q N -0.238 119.562 119.800 0.000 0.000 2.123 419 Q HA -0.094 4.247 4.340 0.001 0.000 0.199 419 Q C 1.972 177.980 176.000 0.013 0.000 0.966 419 Q CA 0.832 56.638 55.803 0.005 0.000 0.845 419 Q CB 0.111 28.853 28.738 0.006 0.000 0.907 419 Q HN 0.429 8.699 8.270 -0.000 0.000 0.439 420 I N 0.856 121.433 120.570 0.012 0.000 2.113 420 I HA -0.168 4.003 4.170 0.001 0.000 0.238 420 I C 2.423 178.553 176.117 0.022 0.000 1.070 420 I CA 1.785 63.096 61.300 0.018 0.000 1.332 420 I CB -1.743 36.265 38.000 0.013 0.000 1.044 420 I HN 0.256 8.466 8.210 -0.000 0.000 0.402 421 G N 0.734 109.543 108.800 0.015 0.000 2.513 421 G HA2 -0.295 3.666 3.960 0.001 0.000 0.219 421 G HA3 -0.295 3.666 3.960 0.001 0.000 0.219 421 G C 1.853 176.767 174.900 0.025 0.000 1.160 421 G CA 1.458 46.569 45.100 0.018 0.000 0.767 421 G HN 0.522 8.812 8.290 -0.000 0.000 0.571 422 A N 0.018 122.848 122.820 0.016 0.000 1.883 422 A HA -0.056 4.265 4.320 0.001 0.000 0.217 422 A C 2.547 180.165 177.584 0.056 0.000 1.186 422 A CA 2.599 54.645 52.037 0.015 0.000 0.624 422 A CB -1.049 17.948 19.000 -0.005 0.000 0.822 422 A HN 0.322 8.472 8.150 -0.000 0.000 0.444 423 T N 0.545 115.136 114.554 0.062 0.000 2.746 423 T HA -0.123 4.228 4.350 0.001 0.000 0.267 423 T C 1.851 176.610 174.700 0.099 0.000 1.039 423 T CA 1.390 63.544 62.100 0.090 0.000 1.142 423 T CB -0.388 68.517 68.868 0.062 0.000 0.866 423 T HN 0.497 8.737 8.240 -0.000 0.000 0.444 424 N N 1.152 119.897 118.700 0.075 0.000 2.188 424 N HA 0.042 4.783 4.740 0.001 0.000 0.184 424 N C 1.895 177.467 175.510 0.102 0.000 1.018 424 N CA 0.850 53.944 53.050 0.074 0.000 0.858 424 N CB -0.342 38.179 38.487 0.055 0.000 0.989 424 N HN 0.354 8.734 8.380 -0.000 0.000 0.426 425 L N -0.036 121.252 121.223 0.109 0.000 2.056 425 L HA -0.115 4.226 4.340 0.001 0.000 0.207 425 L C 2.418 179.424 176.870 0.227 0.000 1.078 425 L CA 0.998 55.920 54.840 0.137 0.000 0.749 425 L CB -0.553 41.553 42.059 0.078 0.000 0.901 425 L HN 0.336 8.566 8.230 -0.000 0.000 0.433 426 H N -0.000 119.125 119.070 0.092 0.000 2.423 426 H HA -0.118 4.439 4.556 0.001 0.000 0.297 426 H C 2.482 177.919 175.328 0.182 0.000 1.075 426 H CA 0.923 57.056 56.048 0.140 0.000 1.342 426 H CB 0.378 30.186 29.762 0.076 0.000 1.395 426 H HN 0.164 8.444 8.280 -0.000 0.000 0.530 427 R N 0.226 120.784 120.500 0.097 0.000 2.075 427 R HA -0.094 4.247 4.340 0.001 0.000 0.232 427 R C 2.376 178.710 176.300 0.058 0.000 1.126 427 R CA 1.362 57.477 56.100 0.025 0.000 0.963 427 R CB -0.002 30.323 30.300 0.042 0.000 0.858 427 R HN 0.229 8.499 8.270 -0.000 0.000 0.435 428 S N 0.283 116.059 115.700 0.126 0.000 2.368 428 S HA -0.179 4.292 4.470 0.001 0.000 0.225 428 S C 1.346 176.095 174.600 0.248 0.000 1.030 428 S CA 1.168 59.464 58.200 0.160 0.000 0.999 428 S CB -0.464 62.857 63.200 0.202 0.000 0.844 428 S HN 0.534 8.844 8.310 -0.000 0.000 0.459 429 W N 2.053 123.417 121.300 0.106 0.000 2.335 429 W HA -0.124 4.537 4.660 0.001 0.000 0.311 429 W C 1.394 177.945 176.519 0.053 0.000 1.213 429 W CA 1.156 58.562 57.345 0.102 0.000 1.274 429 W CB -0.312 29.199 29.460 0.084 0.000 1.148 429 W HN 0.276 8.456 8.180 -0.000 0.000 0.498 430 L N 0.281 121.480 121.223 -0.039 0.000 2.418 430 L HA -0.103 4.238 4.340 0.001 0.000 0.218 430 L C 1.602 178.386 176.870 -0.142 0.000 1.125 430 L CA 0.907 55.647 54.840 -0.166 0.000 0.835 430 L CB -0.715 41.254 42.059 -0.150 0.000 0.953 430 L HN -0.040 8.190 8.230 -0.000 0.000 0.454 431 N N -1.400 117.246 118.700 -0.090 0.000 2.409 431 N HA 0.029 4.770 4.740 0.001 0.000 0.174 431 N C -0.113 175.324 175.510 -0.122 0.000 1.037 431 N CA 0.196 53.192 53.050 -0.090 0.000 0.898 431 N CB 0.802 39.255 38.487 -0.056 0.000 1.010 431 N HN -0.085 8.295 8.380 -0.000 0.000 0.445 432 V N 3.162 122.987 119.914 -0.148 0.000 2.357 432 V HA 0.328 4.449 4.120 0.001 0.000 0.284 432 V C -2.307 173.605 176.094 -0.303 0.000 1.018 432 V CA -1.812 60.334 62.300 -0.256 0.000 0.841 432 V CB 1.554 33.157 31.823 -0.366 0.000 0.991 432 V HN 0.036 8.226 8.190 -0.000 0.000 0.437 433 P HA 0.200 4.620 4.420 -0.000 0.000 0.269 433 P C -0.764 176.366 177.300 -0.285 0.000 1.252 433 P CA -0.024 62.935 63.100 -0.235 0.000 0.780 433 P CB 0.193 31.786 31.700 -0.178 0.000 0.829 434 H N 1.053 119.946 119.070 -0.295 0.000 2.473 434 H HA 0.476 5.033 4.556 0.001 0.000 0.327 434 H C 0.152 175.266 175.328 -0.355 0.000 1.105 434 H CA -0.543 55.324 56.048 -0.302 0.000 1.280 434 H CB 1.209 30.851 29.762 -0.199 0.000 1.450 434 H HN 0.093 8.373 8.280 -0.000 0.000 0.492 435 V N 2.788 122.411 119.914 -0.485 0.000 2.789 435 V HA 0.346 4.466 4.120 0.001 0.000 0.311 435 V C -0.209 175.572 176.094 -0.521 0.000 1.073 435 V CA -0.814 61.184 62.300 -0.504 0.000 0.921 435 V CB 2.404 33.834 31.823 -0.654 0.000 1.009 435 V HN 0.841 9.031 8.190 -0.000 0.000 0.426 436 T N 3.496 117.863 114.554 -0.313 0.000 2.794 436 T HA 0.492 4.843 4.350 0.001 0.000 0.280 436 T C -0.587 173.862 174.700 -0.419 0.000 0.987 436 T CA -0.360 61.498 62.100 -0.403 0.000 0.993 436 T CB 1.449 69.970 68.868 -0.579 0.000 0.939 436 T HN 0.650 8.890 8.240 -0.000 0.000 0.449 437 Q N 2.718 122.369 119.800 -0.249 0.000 2.325 437 Q HA 0.560 4.901 4.340 0.001 0.000 0.262 437 Q C -1.720 174.130 176.000 -0.249 0.000 0.968 437 Q CA -0.451 55.290 55.803 -0.104 0.000 0.877 437 Q CB 0.350 29.178 28.738 0.151 0.000 1.253 437 Q HN 0.517 8.787 8.270 -0.000 0.000 0.448 438 F N 2.167 122.175 119.950 0.097 0.000 2.425 438 F HA 0.697 5.225 4.527 0.002 0.000 0.331 438 F C 0.336 176.181 175.800 0.076 0.000 1.085 438 F CA -0.681 57.363 58.000 0.073 0.000 1.028 438 F CB 1.837 40.872 39.000 0.059 0.000 1.177 438 F HN 0.578 8.878 8.300 -0.000 0.000 0.487 439 E N 0.304 120.660 120.200 0.260 0.000 2.423 439 E HA 0.680 5.031 4.350 0.001 0.000 0.280 439 E C -1.800 174.885 176.600 0.141 0.000 1.030 439 E CA -0.813 55.687 56.400 0.167 0.000 0.812 439 E CB 1.995 31.770 29.700 0.126 0.000 1.313 439 E HN 0.463 8.823 8.360 -0.000 0.000 0.456 440 S N 0.470 116.233 115.700 0.104 0.000 2.541 440 S HA 0.928 5.399 4.470 0.001 0.000 0.280 440 S C -0.839 173.803 174.600 0.071 0.000 1.112 440 S CA -0.676 57.579 58.200 0.091 0.000 0.925 440 S CB 1.640 64.890 63.200 0.082 0.000 1.067 440 S HN 0.742 9.052 8.310 -0.000 0.000 0.479 441 A N 1.159 124.017 122.820 0.064 0.000 2.306 441 A HA 0.690 5.011 4.320 0.001 0.000 0.330 441 A C -0.566 177.045 177.584 0.044 0.000 1.146 441 A CA -0.570 51.494 52.037 0.045 0.000 0.827 441 A CB 0.585 19.607 19.000 0.036 0.000 1.178 441 A HN 0.793 8.943 8.150 -0.000 0.000 0.490 442 D N 1.688 122.108 120.400 0.034 0.000 2.347 442 D HA 0.341 4.982 4.640 0.001 0.000 0.235 442 D C 0.387 176.704 176.300 0.028 0.000 1.149 442 D CA -0.142 53.879 54.000 0.034 0.000 0.850 442 D CB 0.463 41.281 40.800 0.029 0.000 1.061 442 D HN 0.439 8.809 8.370 -0.000 0.000 0.487 443 I N 0.591 121.183 120.570 0.035 0.000 3.856 443 I HA 0.174 4.345 4.170 0.001 0.000 0.330 443 I C 1.097 177.237 176.117 0.039 0.000 1.546 443 I CA -0.536 60.785 61.300 0.035 0.000 1.132 443 I CB 0.404 38.431 38.000 0.045 0.000 1.157 443 I HN -0.008 8.202 8.210 -0.000 0.000 0.440 444 T N 0.501 115.075 114.554 0.034 0.000 2.720 444 T HA -0.115 4.236 4.350 0.001 0.000 0.268 444 T C 1.720 176.444 174.700 0.039 0.000 1.037 444 T CA 1.692 63.813 62.100 0.035 0.000 1.144 444 T CB -0.116 68.770 68.868 0.030 0.000 0.864 444 T HN 0.411 8.651 8.240 -0.000 0.000 0.444 445 E N 0.720 120.939 120.200 0.032 0.000 2.158 445 E HA 0.098 4.449 4.350 0.001 0.000 0.191 445 E C 2.252 178.892 176.600 0.067 0.000 0.982 445 E CA 0.256 56.677 56.400 0.036 0.000 0.823 445 E CB -0.376 29.328 29.700 0.007 0.000 0.766 445 E HN 0.384 8.744 8.360 -0.000 0.000 0.468 446 L N 0.930 122.188 121.223 0.059 0.000 2.046 446 L HA -0.212 4.129 4.340 0.001 0.000 0.208 446 L C 2.418 179.378 176.870 0.151 0.000 1.077 446 L CA 1.481 56.380 54.840 0.099 0.000 0.747 446 L CB -0.093 42.002 42.059 0.060 0.000 0.896 446 L HN 0.075 8.305 8.230 -0.000 0.000 0.432 447 E N 0.123 120.381 120.200 0.096 0.000 2.047 447 E HA -0.183 4.167 4.350 0.001 0.000 0.191 447 E C 2.051 178.694 176.600 0.072 0.000 0.987 447 E CA 1.608 58.053 56.400 0.075 0.000 0.799 447 E CB -0.158 29.575 29.700 0.054 0.000 0.752 447 E HN 0.452 8.812 8.360 -0.000 0.000 0.449 448 A N 0.244 123.111 122.820 0.078 0.000 1.892 448 A HA -0.208 4.113 4.320 0.001 0.000 0.218 448 A C 2.258 179.905 177.584 0.106 0.000 1.188 448 A CA 1.762 53.842 52.037 0.073 0.000 0.631 448 A CB -1.177 17.866 19.000 0.072 0.000 0.822 448 A HN 0.483 8.633 8.150 -0.000 0.000 0.447 449 F N 0.460 120.405 119.950 -0.007 0.000 2.095 449 F HA -0.199 4.328 4.527 0.001 0.000 0.298 449 F C 2.376 178.172 175.800 -0.008 0.000 1.104 449 F CA 2.119 60.113 58.000 -0.010 0.000 1.232 449 F CB -0.408 38.584 39.000 -0.014 0.000 0.987 449 F HN 0.136 8.436 8.300 -0.000 0.000 0.475 450 R N -0.037 120.426 120.500 -0.062 0.000 2.096 450 R HA -0.186 4.155 4.340 0.001 0.000 0.240 450 R C 2.222 178.403 176.300 -0.198 0.000 1.139 450 R CA 2.088 58.081 56.100 -0.178 0.000 0.952 450 R CB -0.881 29.412 30.300 -0.013 0.000 0.854 450 R HN 0.312 8.582 8.270 -0.000 0.000 0.436 451 V N 0.361 120.213 119.914 -0.104 0.000 2.453 451 V HA -0.182 3.939 4.120 0.001 0.000 0.247 451 V C 2.332 178.366 176.094 -0.100 0.000 1.048 451 V CA 1.745 63.999 62.300 -0.077 0.000 1.049 451 V CB -0.364 31.442 31.823 -0.029 0.000 0.672 451 V HN 0.454 8.644 8.190 -0.000 0.000 0.457 452 A N -0.840 121.910 122.820 -0.116 0.000 1.930 452 A HA -0.170 4.150 4.320 0.001 0.000 0.217 452 A C 1.919 179.404 177.584 -0.166 0.000 1.175 452 A CA 1.100 53.073 52.037 -0.107 0.000 0.627 452 A CB -0.284 18.678 19.000 -0.065 0.000 0.815 452 A HN 0.518 8.668 8.150 -0.000 0.000 0.443 453 Q N -0.428 119.188 119.800 -0.306 0.000 2.329 453 Q HA 0.080 4.421 4.340 0.001 0.000 0.208 453 Q C 1.818 177.699 176.000 -0.198 0.000 0.934 453 Q CA 0.888 56.510 55.803 -0.300 0.000 0.951 453 Q CB -0.694 27.726 28.738 -0.530 0.000 1.017 453 Q HN 0.780 9.050 8.270 -0.000 0.000 0.490 454 K N 0.901 121.213 120.400 -0.147 0.000 2.103 454 K HA -0.048 4.272 4.320 0.001 0.000 0.207 454 K C 2.082 178.637 176.600 -0.075 0.000 1.048 454 K CA 1.450 57.678 56.287 -0.098 0.000 0.930 454 K CB -0.850 31.607 32.500 -0.072 0.000 0.716 454 K HN 0.343 8.593 8.250 -0.000 0.000 0.444 455 A N 0.742 123.520 122.820 -0.069 0.000 1.851 455 A HA -0.045 4.276 4.320 0.001 0.000 0.216 455 A C 2.604 180.159 177.584 -0.048 0.000 1.195 455 A CA 2.101 54.108 52.037 -0.050 0.000 0.622 455 A CB -0.731 18.242 19.000 -0.044 0.000 0.831 455 A HN 0.362 8.512 8.150 -0.000 0.000 0.444 456 V N -0.007 119.871 119.914 -0.060 0.000 2.255 456 V HA -0.278 3.843 4.120 0.001 0.000 0.247 456 V C 3.084 179.149 176.094 -0.048 0.000 1.051 456 V CA 2.154 64.424 62.300 -0.050 0.000 1.018 456 V CB -1.537 30.250 31.823 -0.059 0.000 0.641 456 V HN 0.653 8.843 8.190 -0.000 0.000 0.445 457 A N 0.066 122.847 122.820 -0.066 0.000 1.873 457 A HA -0.303 4.018 4.320 0.001 0.000 0.218 457 A C 2.358 179.918 177.584 -0.039 0.000 1.193 457 A CA 2.960 54.964 52.037 -0.056 0.000 0.629 457 A CB -1.035 17.922 19.000 -0.071 0.000 0.826 457 A HN 0.657 8.807 8.150 -0.000 0.000 0.447 458 E N -0.872 119.305 120.200 -0.039 0.000 2.106 458 E HA -0.134 4.217 4.350 0.001 0.000 0.192 458 E C 2.173 178.760 176.600 -0.022 0.000 0.984 458 E CA 2.476 58.859 56.400 -0.028 0.000 0.806 458 E CB -1.247 28.436 29.700 -0.027 0.000 0.750 458 E HN 0.914 9.274 8.360 -0.000 0.000 0.458 459 K N 0.023 120.410 120.400 -0.022 0.000 2.283 459 K HA 0.480 4.801 4.320 0.001 0.000 0.202 459 K C 2.305 178.897 176.600 -0.013 0.000 1.048 459 K CA 1.377 57.654 56.287 -0.016 0.000 0.948 459 K CB -0.494 31.997 32.500 -0.016 0.000 0.742 459 K HN 0.809 9.059 8.250 -0.000 0.000 0.458 460 A N -0.986 121.825 122.820 -0.015 0.000 2.308 460 A HA 0.490 4.811 4.320 0.001 0.000 0.217 460 A C 2.017 179.595 177.584 -0.010 0.000 1.216 460 A CA 1.015 53.046 52.037 -0.011 0.000 0.864 460 A CB -0.437 18.556 19.000 -0.012 0.000 0.902 460 A HN 1.462 9.612 8.150 -0.000 0.000 0.499 461 G N -0.944 107.848 108.800 -0.012 0.000 2.184 461 G HA2 -0.202 3.759 3.960 0.001 0.000 0.264 461 G HA3 -0.202 3.759 3.960 0.001 0.000 0.264 461 G C 0.492 175.386 174.900 -0.011 0.000 0.975 461 G CA 0.815 45.909 45.100 -0.010 0.000 0.642 461 G HN 1.727 10.017 8.290 -0.000 0.000 0.536 462 V N -3.972 115.933 119.914 -0.016 0.000 2.966 462 V HA 1.015 5.136 4.120 0.001 0.000 0.317 462 V C 0.138 176.217 176.094 -0.025 0.000 1.070 462 V CA -0.316 61.973 62.300 -0.018 0.000 1.008 462 V CB 1.594 33.406 31.823 -0.019 0.000 1.070 462 V HN 1.202 9.392 8.190 -0.000 0.000 0.457 463 K N 2.489 122.872 120.400 -0.027 0.000 2.339 463 K HA 0.731 5.052 4.320 0.001 0.000 0.264 463 K C -0.851 175.725 176.600 -0.039 0.000 0.986 463 K CA -0.677 55.590 56.287 -0.033 0.000 0.866 463 K CB 1.240 33.723 32.500 -0.028 0.000 1.103 463 K HN 1.023 9.273 8.250 -0.000 0.000 0.441 464 L N 3.812 125.006 121.223 -0.048 0.000 2.433 464 L HA 0.273 4.614 4.340 0.001 0.000 0.284 464 L C 0.874 177.721 176.870 -0.038 0.000 1.120 464 L CA 0.453 55.263 54.840 -0.050 0.000 0.879 464 L CB 0.015 42.024 42.059 -0.084 0.000 1.232 464 L HN 0.932 9.162 8.230 -0.000 0.000 0.454 465 T N 0.528 115.065 114.554 -0.028 0.000 2.893 465 T HA 0.233 4.584 4.350 0.001 0.000 0.281 465 T C 0.949 175.652 174.700 0.005 0.000 1.027 465 T CA -0.017 62.074 62.100 -0.014 0.000 0.953 465 T CB 0.767 69.621 68.868 -0.023 0.000 1.434 465 T HN 0.161 8.401 8.240 -0.000 0.000 0.597 466 V N 0.106 120.033 119.914 0.023 0.000 2.951 466 V HA 0.120 4.241 4.120 0.001 0.000 0.255 466 V C 2.213 178.327 176.094 0.034 0.000 1.088 466 V CA 0.753 63.078 62.300 0.042 0.000 1.109 466 V CB -0.899 30.960 31.823 0.060 0.000 0.724 466 V HN 0.749 8.939 8.190 -0.000 0.000 0.471 467 L N 1.320 122.547 121.223 0.007 0.000 1.994 467 L HA -0.047 4.294 4.340 0.001 0.000 0.208 467 L C 0.041 176.889 176.870 -0.036 0.000 1.071 467 L CA 2.341 57.168 54.840 -0.022 0.000 0.745 467 L CB -1.635 40.366 42.059 -0.097 0.000 0.892 467 L HN 0.336 8.566 8.230 -0.000 0.000 0.431 468 P HA -0.197 4.223 4.420 -0.000 0.000 0.217 468 P C 1.880 179.190 177.300 0.017 0.000 1.148 468 P CA 1.533 64.619 63.100 -0.023 0.000 0.828 468 P CB 0.009 31.698 31.700 -0.018 0.000 0.783 469 L N -1.719 119.525 121.223 0.034 0.000 2.109 469 L HA -0.100 4.240 4.340 0.001 0.000 0.207 469 L C 2.584 179.475 176.870 0.035 0.000 1.086 469 L CA 0.729 55.596 54.840 0.045 0.000 0.760 469 L CB -1.032 41.068 42.059 0.069 0.000 0.910 469 L HN -0.087 8.143 8.230 -0.000 0.000 0.437 470 L N -0.291 120.961 121.223 0.047 0.000 2.027 470 L HA -0.171 4.170 4.340 0.001 0.000 0.206 470 L C 2.371 179.291 176.870 0.082 0.000 1.074 470 L CA 1.763 56.646 54.840 0.071 0.000 0.745 470 L CB -0.820 41.297 42.059 0.097 0.000 0.898 470 L HN 0.162 8.392 8.230 -0.000 0.000 0.433 471 L N -1.062 120.205 121.223 0.072 0.000 2.017 471 L HA -0.240 4.101 4.340 0.001 0.000 0.208 471 L C 2.672 179.583 176.870 0.068 0.000 1.073 471 L CA 1.202 56.093 54.840 0.085 0.000 0.745 471 L CB -0.586 41.503 42.059 0.050 0.000 0.894 471 L HN 0.193 8.423 8.230 -0.000 0.000 0.432 472 K N 0.036 120.463 120.400 0.045 0.000 2.063 472 K HA -0.173 4.148 4.320 0.001 0.000 0.208 472 K C 2.114 178.734 176.600 0.032 0.000 1.048 472 K CA 1.649 57.958 56.287 0.037 0.000 0.928 472 K CB -0.236 32.275 32.500 0.018 0.000 0.713 472 K HN 0.318 8.568 8.250 -0.000 0.000 0.442 473 A N 0.501 123.325 122.820 0.007 0.000 1.897 473 A HA -0.149 4.172 4.320 0.001 0.000 0.215 473 A C 2.598 180.171 177.584 -0.018 0.000 1.181 473 A CA 1.506 53.530 52.037 -0.021 0.000 0.620 473 A CB -0.841 18.127 19.000 -0.053 0.000 0.821 473 A HN 0.419 8.569 8.150 -0.000 0.000 0.443 474 C N -0.840 118.452 119.300 -0.014 0.000 2.435 474 C HA 0.107 4.568 4.460 0.001 0.000 0.279 474 C C 3.258 178.195 174.990 -0.088 0.000 1.321 474 C CA 0.608 59.580 59.018 -0.078 0.000 1.752 474 C CB -1.317 26.412 27.740 -0.018 0.000 1.959 474 C HN 0.690 8.920 8.230 -0.000 0.000 0.500 475 A N -0.585 122.233 122.820 -0.003 0.000 1.898 475 A HA -0.208 4.113 4.320 0.001 0.000 0.216 475 A C 1.978 179.574 177.584 0.019 0.000 1.181 475 A CA 1.616 53.659 52.037 0.011 0.000 0.620 475 A CB -0.960 18.076 19.000 0.060 0.000 0.819 475 A HN 0.644 8.794 8.150 -0.000 0.000 0.442 476 Y N 0.171 120.423 120.300 -0.079 0.000 2.181 476 Y HA -0.147 4.404 4.550 0.002 0.000 0.288 476 Y C 1.985 177.816 175.900 -0.115 0.000 1.146 476 Y CA 1.873 59.922 58.100 -0.085 0.000 1.164 476 Y CB -0.191 38.215 38.460 -0.090 0.000 0.982 476 Y HN 0.214 8.494 8.280 -0.000 0.000 0.515 477 L N -0.914 120.274 121.223 -0.059 0.000 2.217 477 L HA -0.175 4.166 4.340 0.001 0.000 0.211 477 L C 1.965 178.745 176.870 -0.149 0.000 1.107 477 L CA 0.462 55.178 54.840 -0.207 0.000 0.783 477 L CB -0.321 41.472 42.059 -0.444 0.000 0.919 477 L HN 0.283 8.513 8.230 -0.000 0.000 0.442 478 L N -0.347 120.809 121.223 -0.111 0.000 2.291 478 L HA -0.147 4.194 4.340 0.001 0.000 0.214 478 L C 2.333 179.157 176.870 -0.075 0.000 1.120 478 L CA 1.541 56.341 54.840 -0.067 0.000 0.799 478 L CB -0.630 41.349 42.059 -0.133 0.000 0.925 478 L HN 0.129 8.359 8.230 -0.000 0.000 0.446 479 K N -0.952 119.366 120.400 -0.137 0.000 2.211 479 K HA -0.075 4.246 4.320 0.001 0.000 0.201 479 K C 1.791 178.281 176.600 -0.184 0.000 1.052 479 K CA 0.495 56.686 56.287 -0.160 0.000 0.973 479 K CB 0.315 32.691 32.500 -0.207 0.000 0.766 479 K HN 0.366 8.616 8.250 -0.000 0.000 0.466 480 E N 0.672 120.730 120.200 -0.238 0.000 2.112 480 E HA -0.021 4.330 4.350 0.001 0.000 0.190 480 E C 0.105 176.660 176.600 -0.075 0.000 0.979 480 E CA 0.461 56.738 56.400 -0.204 0.000 0.814 480 E CB 0.382 29.918 29.700 -0.274 0.000 0.762 480 E HN 0.100 8.460 8.360 -0.000 0.000 0.460 481 L N 2.492 123.711 121.223 -0.007 0.000 2.506 481 L HA 0.263 4.603 4.340 0.001 0.000 0.247 481 L C -1.831 175.136 176.870 0.163 0.000 1.141 481 L CA -1.332 53.584 54.840 0.126 0.000 0.973 481 L CB 1.283 43.493 42.059 0.251 0.000 1.319 481 L HN 0.008 8.238 8.230 -0.000 0.000 0.455 482 P HA -0.169 4.251 4.420 -0.000 0.000 0.221 482 P C 0.495 177.798 177.300 0.005 0.000 1.145 482 P CA 1.024 64.131 63.100 0.013 0.000 0.795 482 P CB 0.436 32.119 31.700 -0.028 0.000 0.775 483 D N -0.748 119.650 120.400 -0.005 0.000 2.309 483 D HA -0.094 4.547 4.640 0.001 0.000 0.212 483 D C 1.523 177.687 176.300 -0.226 0.000 0.968 483 D CA 0.829 54.751 54.000 -0.131 0.000 0.882 483 D CB -0.731 39.940 40.800 -0.215 0.000 0.918 483 D HN 0.258 8.628 8.370 -0.000 0.000 0.503 484 F N 0.164 120.056 119.950 -0.097 0.000 2.615 484 F HA 0.022 4.550 4.527 0.002 0.000 0.297 484 F C 1.424 177.170 175.800 -0.089 0.000 1.124 484 F CA 0.246 58.168 58.000 -0.130 0.000 1.451 484 F CB 0.047 38.907 39.000 -0.233 0.000 1.103 484 F HN -0.186 8.114 8.300 -0.000 0.000 0.569 485 N N 0.441 119.168 118.700 0.045 0.000 2.671 485 N HA 0.099 4.839 4.740 0.001 0.000 0.303 485 N C -0.802 174.648 175.510 -0.099 0.000 1.351 485 N CA -0.106 52.922 53.050 -0.037 0.000 0.991 485 N CB -0.061 38.376 38.487 -0.083 0.000 1.307 485 N HN 0.082 8.462 8.380 -0.000 0.000 0.512 486 S N -2.018 113.633 115.700 -0.080 0.000 2.685 486 S HA 0.763 5.234 4.470 0.001 0.000 0.282 486 S C -0.731 173.826 174.600 -0.071 0.000 1.159 486 S CA -0.741 57.403 58.200 -0.095 0.000 0.833 486 S CB 1.638 64.781 63.200 -0.096 0.000 1.151 486 S HN -0.016 8.294 8.310 -0.000 0.000 0.485 487 S N 0.216 115.880 115.700 -0.060 0.000 2.599 487 S HA 0.650 5.120 4.470 0.001 0.000 0.294 487 S C -1.192 173.379 174.600 -0.047 0.000 1.094 487 S CA -0.696 57.477 58.200 -0.044 0.000 0.931 487 S CB 1.282 64.470 63.200 -0.020 0.000 1.093 487 S HN 0.739 9.049 8.310 -0.000 0.000 0.488 488 L N 2.881 124.075 121.223 -0.048 0.000 2.360 488 L HA 0.558 4.899 4.340 0.001 0.000 0.276 488 L C 0.536 177.388 176.870 -0.031 0.000 1.121 488 L CA 0.037 54.849 54.840 -0.046 0.000 0.845 488 L CB -0.015 42.012 42.059 -0.054 0.000 1.143 488 L HN 0.846 9.076 8.230 -0.000 0.000 0.452 489 A N 6.761 129.565 122.820 -0.027 0.000 2.547 489 A HA 0.252 4.573 4.320 0.001 0.000 0.233 489 A C -1.425 176.148 177.584 -0.018 0.000 1.067 489 A CA -0.516 51.511 52.037 -0.018 0.000 0.763 489 A CB -0.569 18.421 19.000 -0.017 0.000 1.007 489 A HN 0.820 8.970 8.150 -0.000 0.000 0.506 490 P HA -0.152 4.268 4.420 -0.000 0.000 0.218 490 P C 1.478 178.770 177.300 -0.014 0.000 1.148 490 P CA 1.820 64.912 63.100 -0.012 0.000 0.822 490 P CB 0.011 31.707 31.700 -0.006 0.000 0.784 491 S N -1.764 113.928 115.700 -0.014 0.000 2.547 491 S HA 0.067 4.538 4.470 0.001 0.000 0.235 491 S C 1.884 176.472 174.600 -0.020 0.000 0.980 491 S CA 0.718 58.909 58.200 -0.015 0.000 0.941 491 S CB -1.564 61.628 63.200 -0.013 0.000 0.763 491 S HN 0.310 8.620 8.310 -0.000 0.000 0.532 492 G N -0.023 108.763 108.800 -0.024 0.000 2.196 492 G HA2 -0.355 3.606 3.960 0.001 0.000 0.268 492 G HA3 -0.355 3.606 3.960 0.001 0.000 0.268 492 G C 0.771 175.652 174.900 -0.030 0.000 0.975 492 G CA 0.972 46.054 45.100 -0.030 0.000 0.648 492 G HN 1.255 9.545 8.290 -0.000 0.000 0.538 493 Q N -1.498 118.286 119.800 -0.026 0.000 2.194 493 Q HA 0.848 5.189 4.340 0.001 0.000 0.214 493 Q C 0.811 176.795 176.000 -0.027 0.000 0.838 493 Q CA 1.620 57.407 55.803 -0.026 0.000 0.972 493 Q CB 0.661 29.386 28.738 -0.021 0.000 1.131 493 Q HN 2.413 10.683 8.270 -0.000 0.000 0.498 494 A N -0.263 122.540 122.820 -0.028 0.000 2.587 494 A HA 0.835 5.156 4.320 0.001 0.000 0.293 494 A C -1.728 175.835 177.584 -0.035 0.000 1.087 494 A CA -0.544 51.475 52.037 -0.029 0.000 0.692 494 A CB 1.404 20.391 19.000 -0.022 0.000 1.291 494 A HN 0.340 8.490 8.150 -0.000 0.000 0.407 495 L N 0.917 122.116 121.223 -0.039 0.000 2.322 495 L HA 0.548 4.889 4.340 0.001 0.000 0.281 495 L C -0.535 176.311 176.870 -0.040 0.000 1.014 495 L CA 0.012 54.823 54.840 -0.048 0.000 0.815 495 L CB 1.568 43.590 42.059 -0.062 0.000 1.247 495 L HN 0.578 8.808 8.230 -0.000 0.000 0.421 496 I N 3.410 123.958 120.570 -0.037 0.000 2.281 496 I HA 0.278 4.449 4.170 0.001 0.000 0.293 496 I C 0.309 176.395 176.117 -0.052 0.000 1.085 496 I CA -0.276 61.006 61.300 -0.029 0.000 1.257 496 I CB 0.325 38.318 38.000 -0.012 0.000 1.430 496 I HN 0.461 8.671 8.210 -0.000 0.000 0.489 497 R N 5.946 126.413 120.500 -0.056 0.000 2.298 497 R HA 0.279 4.620 4.340 0.001 0.000 0.310 497 R C -0.347 175.888 176.300 -0.109 0.000 1.068 497 R CA -0.349 55.701 56.100 -0.083 0.000 0.957 497 R CB 0.691 30.951 30.300 -0.066 0.000 1.003 497 R HN 0.433 8.703 8.270 -0.000 0.000 0.454 498 K N 2.719 122.990 120.400 -0.214 0.000 2.205 498 K HA 0.141 4.461 4.320 0.001 0.000 0.279 498 K C 0.406 176.822 176.600 -0.307 0.000 1.027 498 K CA -0.510 55.534 56.287 -0.405 0.000 0.932 498 K CB 1.128 33.117 32.500 -0.853 0.000 1.032 498 K HN 0.223 8.473 8.250 -0.000 0.000 0.466 499 K N 2.055 122.384 120.400 -0.117 0.000 2.372 499 K HA 0.073 4.394 4.320 0.001 0.000 0.200 499 K C -0.193 176.436 176.600 0.047 0.000 1.022 499 K CA 0.192 56.470 56.287 -0.014 0.000 1.125 499 K CB 0.134 32.671 32.500 0.061 0.000 0.855 499 K HN 0.518 8.768 8.250 -0.000 0.000 0.524 500 Y N -2.836 117.407 120.300 -0.095 0.000 2.587 500 Y HA 0.655 5.206 4.550 0.001 0.000 0.337 500 Y C -0.084 175.694 175.900 -0.204 0.000 1.065 500 Y CA -1.633 56.377 58.100 -0.151 0.000 1.126 500 Y CB 1.032 39.348 38.460 -0.240 0.000 1.279 500 Y HN -0.330 7.950 8.280 -0.000 0.000 0.489 501 V N 2.431 122.341 119.914 -0.007 0.000 2.357 501 V HA 0.329 4.450 4.120 0.001 0.000 0.281 501 V C -1.108 175.071 176.094 0.141 0.000 1.015 501 V CA -0.664 61.628 62.300 -0.012 0.000 0.827 501 V CB -0.019 31.822 31.823 0.030 0.000 1.018 501 V HN 0.921 9.111 8.190 -0.000 0.000 0.432 502 H N 4.544 123.759 119.070 0.242 0.000 2.469 502 H HA 0.741 5.298 4.556 0.001 0.000 0.342 502 H C -0.725 174.736 175.328 0.221 0.000 1.115 502 H CA -0.837 55.347 56.048 0.226 0.000 1.204 502 H CB 2.432 32.340 29.762 0.244 0.000 1.492 502 H HN 0.453 8.733 8.280 -0.000 0.000 0.499 503 I N 1.797 122.573 120.570 0.344 0.000 2.545 503 I HA 0.376 4.547 4.170 0.001 0.000 0.292 503 I C 0.439 176.759 176.117 0.337 0.000 1.040 503 I CA -0.728 60.778 61.300 0.342 0.000 1.068 503 I CB 2.215 40.421 38.000 0.344 0.000 1.251 503 I HN 0.694 8.904 8.210 -0.000 0.000 0.424 504 G N 4.561 113.534 108.800 0.289 0.000 2.462 504 G HA2 0.736 4.697 3.960 0.001 0.000 0.319 504 G HA3 0.736 4.697 3.960 0.001 0.000 0.319 504 G C -1.221 173.863 174.900 0.308 0.000 1.171 504 G CA -0.308 44.927 45.100 0.224 0.000 0.920 504 G HN 0.521 8.811 8.290 -0.000 0.000 0.499 505 F N -0.861 119.143 119.950 0.089 0.000 2.581 505 F HA 0.777 5.305 4.527 0.002 0.000 0.311 505 F C 0.009 175.853 175.800 0.074 0.000 1.113 505 F CA -2.112 55.940 58.000 0.087 0.000 0.935 505 F CB 1.216 40.272 39.000 0.092 0.000 1.232 505 F HN 0.685 8.985 8.300 -0.000 0.000 0.445 506 A N 2.493 125.390 122.820 0.128 0.000 2.450 506 A HA 0.602 4.923 4.320 0.001 0.000 0.255 506 A C -0.715 176.902 177.584 0.056 0.000 1.096 506 A CA -0.361 51.705 52.037 0.048 0.000 0.778 506 A CB 0.181 19.248 19.000 0.112 0.000 1.031 506 A HN 0.799 8.949 8.150 -0.000 0.000 0.494 507 V N 4.072 123.967 119.914 -0.032 0.000 2.487 507 V HA 0.301 4.422 4.120 0.001 0.000 0.298 507 V C -0.725 175.375 176.094 0.010 0.000 1.028 507 V CA -0.770 61.533 62.300 0.005 0.000 0.860 507 V CB 1.908 33.698 31.823 -0.056 0.000 0.991 507 V HN 0.906 9.096 8.190 -0.000 0.000 0.427 508 D N 3.184 123.607 120.400 0.039 0.000 2.303 508 D HA 0.480 5.120 4.640 0.001 0.000 0.236 508 D C 0.159 176.471 176.300 0.020 0.000 1.068 508 D CA 0.071 54.087 54.000 0.026 0.000 0.830 508 D CB 2.377 43.199 40.800 0.036 0.000 1.109 508 D HN 0.709 9.079 8.370 -0.000 0.000 0.496 509 T N -0.623 113.934 114.554 0.005 0.000 2.938 509 T HA 0.455 4.805 4.350 0.001 0.000 0.285 509 T C -1.843 172.857 174.700 0.000 0.000 1.028 509 T CA -1.745 60.357 62.100 0.003 0.000 1.005 509 T CB 2.002 70.867 68.868 -0.004 0.000 1.157 509 T HN -0.110 8.130 8.240 -0.000 0.000 0.550 510 P HA 0.017 4.437 4.420 -0.000 0.000 0.216 510 P C 0.681 177.978 177.300 -0.006 0.000 1.150 510 P CA 0.961 64.059 63.100 -0.003 0.000 0.837 510 P CB -0.015 31.684 31.700 -0.002 0.000 0.786 511 D N -1.703 118.693 120.400 -0.006 0.000 2.347 511 D HA 0.233 4.874 4.640 0.001 0.000 0.213 511 D C 1.057 177.352 176.300 -0.008 0.000 0.985 511 D CA 0.912 54.908 54.000 -0.007 0.000 0.879 511 D CB 0.060 40.857 40.800 -0.006 0.000 0.919 511 D HN 0.162 8.532 8.370 -0.000 0.000 0.526 512 G N -0.751 108.043 108.800 -0.009 0.000 2.362 512 G HA2 0.113 4.074 3.960 0.001 0.000 0.288 512 G HA3 0.113 4.074 3.960 0.001 0.000 0.288 512 G C -1.862 173.033 174.900 -0.009 0.000 1.305 512 G CA -0.827 44.267 45.100 -0.010 0.000 0.910 512 G HN 0.155 8.445 8.290 -0.000 0.000 0.518 513 L N 0.360 121.578 121.223 -0.009 0.000 2.305 513 L HA 0.840 5.180 4.340 0.001 0.000 0.281 513 L C -0.263 176.594 176.870 -0.021 0.000 1.085 513 L CA -0.485 54.349 54.840 -0.010 0.000 0.813 513 L CB 0.664 42.722 42.059 -0.001 0.000 1.157 513 L HN 0.546 8.776 8.230 -0.000 0.000 0.436 514 L N 5.413 126.611 121.223 -0.041 0.000 2.341 514 L HA 0.618 4.959 4.340 0.001 0.000 0.267 514 L C -0.900 175.903 176.870 -0.112 0.000 1.009 514 L CA -1.071 53.730 54.840 -0.066 0.000 0.819 514 L CB 2.223 44.238 42.059 -0.073 0.000 1.323 514 L HN 0.313 8.543 8.230 -0.000 0.000 0.425 515 V N 2.561 122.400 119.914 -0.124 0.000 2.315 515 V HA 0.231 4.351 4.120 0.001 0.000 0.265 515 V C -2.109 173.849 176.094 -0.226 0.000 1.019 515 V CA -1.384 60.805 62.300 -0.186 0.000 0.824 515 V CB 0.865 32.641 31.823 -0.078 0.000 1.072 515 V HN 0.583 8.773 8.190 -0.000 0.000 0.448 516 P HA 0.103 4.523 4.420 -0.000 0.000 0.268 516 P C -0.487 176.702 177.300 -0.185 0.000 1.208 516 P CA 0.286 63.210 63.100 -0.293 0.000 0.777 516 P CB 1.446 32.924 31.700 -0.369 0.000 0.875 517 V N 4.205 124.119 119.914 0.001 0.000 2.448 517 V HA 0.342 4.463 4.120 0.001 0.000 0.295 517 V C 0.556 176.746 176.094 0.160 0.000 1.025 517 V CA -0.633 61.736 62.300 0.116 0.000 0.859 517 V CB 1.425 33.305 31.823 0.095 0.000 0.988 517 V HN 0.373 8.563 8.190 -0.000 0.000 0.431 518 I N 5.645 126.360 120.570 0.241 0.000 2.336 518 I HA 0.473 4.644 4.170 0.001 0.000 0.292 518 I C 0.215 176.425 176.117 0.155 0.000 0.991 518 I CA -0.640 60.774 61.300 0.190 0.000 1.227 518 I CB 1.074 39.203 38.000 0.215 0.000 1.366 518 I HN 0.431 8.641 8.210 -0.000 0.000 0.466 519 R N 5.676 126.204 120.500 0.047 0.000 2.357 519 R HA 0.251 4.592 4.340 0.001 0.000 0.296 519 R C 0.007 176.402 176.300 0.158 0.000 1.052 519 R CA -0.505 55.569 56.100 -0.043 0.000 0.988 519 R CB 0.452 30.579 30.300 -0.287 0.000 1.025 519 R HN 0.644 8.914 8.270 -0.000 0.000 0.469 520 N N 0.860 119.801 118.700 0.402 0.000 2.727 520 N HA -0.155 4.586 4.740 0.001 0.000 0.251 520 N C 0.886 176.502 175.510 0.177 0.000 1.040 520 N CA 0.533 53.751 53.050 0.279 0.000 0.712 520 N CB -1.158 37.440 38.487 0.185 0.000 0.912 520 N HN 0.342 8.722 8.380 -0.000 0.000 0.545 521 V N 0.684 120.709 119.914 0.184 0.000 2.469 521 V HA -0.274 3.847 4.120 0.001 0.000 0.251 521 V C 2.252 178.407 176.094 0.102 0.000 1.064 521 V CA 2.391 64.770 62.300 0.132 0.000 1.066 521 V CB -0.234 31.674 31.823 0.141 0.000 0.667 521 V HN 0.565 8.755 8.190 -0.000 0.000 0.461 522 D N -0.144 120.317 120.400 0.102 0.000 2.311 522 D HA -0.262 4.379 4.640 0.001 0.000 0.212 522 D C 1.744 178.090 176.300 0.077 0.000 0.972 522 D CA 1.183 55.233 54.000 0.084 0.000 0.887 522 D CB -0.207 40.635 40.800 0.070 0.000 0.915 522 D HN 0.548 8.918 8.370 -0.000 0.000 0.497 523 Q N -0.527 119.320 119.800 0.078 0.000 2.247 523 Q HA 0.181 4.522 4.340 0.001 0.000 0.211 523 Q C 0.128 176.161 176.000 0.056 0.000 0.861 523 Q CA 0.020 55.861 55.803 0.064 0.000 0.949 523 Q CB 0.850 29.628 28.738 0.067 0.000 1.115 523 Q HN 0.158 8.428 8.270 -0.000 0.000 0.507 524 K N 0.489 120.924 120.400 0.058 0.000 2.123 524 K HA 0.384 4.704 4.320 0.001 0.000 0.248 524 K C -0.181 176.444 176.600 0.042 0.000 0.969 524 K CA -0.452 55.864 56.287 0.048 0.000 0.882 524 K CB 1.722 34.252 32.500 0.051 0.000 1.080 524 K HN -0.015 8.235 8.250 -0.000 0.000 0.441 525 S N 0.725 116.446 115.700 0.036 0.000 2.707 525 S HA 0.267 4.738 4.470 0.001 0.000 0.276 525 S C 1.326 175.947 174.600 0.035 0.000 1.179 525 S CA -0.806 57.415 58.200 0.035 0.000 0.992 525 S CB 0.454 63.674 63.200 0.033 0.000 1.030 525 S HN 0.560 8.870 8.310 -0.000 0.000 0.554 526 L N 0.055 121.305 121.223 0.045 0.000 2.012 526 L HA -0.106 4.235 4.340 0.001 0.000 0.210 526 L C 2.378 179.265 176.870 0.029 0.000 1.073 526 L CA 1.345 56.215 54.840 0.050 0.000 0.748 526 L CB -0.756 41.362 42.059 0.098 0.000 0.891 526 L HN 0.659 8.889 8.230 -0.000 0.000 0.431 527 L N -1.046 120.192 121.223 0.025 0.000 2.217 527 L HA -0.165 4.176 4.340 0.001 0.000 0.211 527 L C 2.652 179.526 176.870 0.007 0.000 1.107 527 L CA 0.825 55.670 54.840 0.008 0.000 0.783 527 L CB -0.428 41.634 42.059 0.005 0.000 0.919 527 L HN 0.347 8.577 8.230 -0.000 0.000 0.442 528 Q N 0.163 119.972 119.800 0.014 0.000 2.020 528 Q HA -0.189 4.152 4.340 0.001 0.000 0.202 528 Q C 2.398 178.404 176.000 0.011 0.000 0.982 528 Q CA 1.397 57.209 55.803 0.015 0.000 0.838 528 Q CB -0.193 28.559 28.738 0.023 0.000 0.899 528 Q HN 0.485 8.755 8.270 -0.000 0.000 0.423 529 L N 0.278 121.506 121.223 0.009 0.000 2.079 529 L HA -0.230 4.111 4.340 0.001 0.000 0.210 529 L C 2.537 179.384 176.870 -0.038 0.000 1.081 529 L CA 1.012 55.847 54.840 -0.007 0.000 0.752 529 L CB -0.681 41.375 42.059 -0.005 0.000 0.896 529 L HN 0.237 8.467 8.230 -0.000 0.000 0.433 530 A N 0.065 122.866 122.820 -0.031 0.000 1.908 530 A HA -0.201 4.120 4.320 0.001 0.000 0.218 530 A C 2.546 180.111 177.584 -0.033 0.000 1.181 530 A CA 1.908 53.919 52.037 -0.043 0.000 0.627 530 A CB -0.716 18.267 19.000 -0.029 0.000 0.818 530 A HN 0.416 8.566 8.150 -0.000 0.000 0.445 531 A N -0.674 122.138 122.820 -0.013 0.000 1.873 531 A HA -0.161 4.160 4.320 0.001 0.000 0.215 531 A C 2.011 179.602 177.584 0.012 0.000 1.186 531 A CA 1.727 53.764 52.037 -0.000 0.000 0.616 531 A CB -0.568 18.436 19.000 0.006 0.000 0.823 531 A HN 0.619 8.769 8.150 -0.000 0.000 0.442 532 E N -0.411 119.799 120.200 0.017 0.000 2.077 532 E HA -0.141 4.209 4.350 0.001 0.000 0.193 532 E C 2.269 178.913 176.600 0.073 0.000 0.989 532 E CA 0.973 57.400 56.400 0.045 0.000 0.800 532 E CB -0.233 29.496 29.700 0.049 0.000 0.746 532 E HN 0.581 8.941 8.360 -0.000 0.000 0.452 533 A N 1.163 123.978 122.820 -0.007 0.000 1.883 533 A HA -0.180 4.141 4.320 0.001 0.000 0.217 533 A C 2.380 180.017 177.584 0.088 0.000 1.186 533 A CA 1.955 53.942 52.037 -0.083 0.000 0.624 533 A CB -0.836 17.931 19.000 -0.388 0.000 0.822 533 A HN 0.373 8.523 8.150 -0.000 0.000 0.444 534 A N -0.455 122.382 122.820 0.027 0.000 1.908 534 A HA -0.209 4.112 4.320 0.001 0.000 0.218 534 A C 2.082 179.709 177.584 0.072 0.000 1.181 534 A CA 1.901 53.965 52.037 0.044 0.000 0.627 534 A CB -0.551 18.456 19.000 0.012 0.000 0.818 534 A HN 0.713 8.863 8.150 -0.000 0.000 0.445 535 E N -0.078 120.165 120.200 0.071 0.000 2.028 535 E HA -0.158 4.193 4.350 0.001 0.000 0.191 535 E C 1.979 178.631 176.600 0.087 0.000 0.988 535 E CA 1.159 57.598 56.400 0.066 0.000 0.799 535 E CB -0.234 29.499 29.700 0.055 0.000 0.755 535 E HN 0.611 8.971 8.360 -0.000 0.000 0.447 536 L N 0.581 121.888 121.223 0.139 0.000 2.083 536 L HA -0.161 4.180 4.340 0.001 0.000 0.209 536 L C 2.732 179.670 176.870 0.114 0.000 1.083 536 L CA 1.045 55.968 54.840 0.138 0.000 0.752 536 L CB -0.475 41.721 42.059 0.229 0.000 0.899 536 L HN 0.231 8.461 8.230 -0.000 0.000 0.433 537 A N 0.258 123.193 122.820 0.192 0.000 1.877 537 A HA -0.236 4.085 4.320 0.001 0.000 0.216 537 A C 2.433 180.057 177.584 0.067 0.000 1.186 537 A CA 2.120 54.242 52.037 0.142 0.000 0.620 537 A CB -0.886 18.230 19.000 0.194 0.000 0.822 537 A HN 0.423 8.573 8.150 -0.000 0.000 0.443 538 E N 0.421 120.658 120.200 0.061 0.000 2.023 538 E HA -0.259 4.091 4.350 0.001 0.000 0.196 538 E C 1.998 178.614 176.600 0.026 0.000 1.003 538 E CA 1.888 58.309 56.400 0.036 0.000 0.809 538 E CB -0.761 28.957 29.700 0.032 0.000 0.755 538 E HN 0.746 9.106 8.360 -0.000 0.000 0.449 539 K N -0.098 120.318 120.400 0.027 0.000 2.113 539 K HA -0.036 4.285 4.320 0.001 0.000 0.208 539 K C 2.537 179.139 176.600 0.004 0.000 1.047 539 K CA 1.160 57.455 56.287 0.015 0.000 0.928 539 K CB -0.260 32.250 32.500 0.015 0.000 0.716 539 K HN 0.394 8.644 8.250 -0.000 0.000 0.446 540 A N 1.279 124.099 122.820 -0.001 0.000 1.902 540 A HA -0.157 4.163 4.320 0.001 0.000 0.217 540 A C 2.030 179.608 177.584 -0.009 0.000 1.181 540 A CA 1.336 53.362 52.037 -0.018 0.000 0.623 540 A CB -0.331 18.643 19.000 -0.043 0.000 0.818 540 A HN 0.188 8.338 8.150 -0.000 0.000 0.443 541 R N -0.188 120.313 120.500 0.002 0.000 2.148 541 R HA 0.006 4.346 4.340 0.001 0.000 0.223 541 R C 1.168 177.470 176.300 0.003 0.000 1.088 541 R CA 1.260 57.362 56.100 0.004 0.000 0.985 541 R CB -0.096 30.210 30.300 0.009 0.000 0.880 541 R HN 0.432 8.702 8.270 -0.000 0.000 0.451 542 S N 0.567 116.270 115.700 0.004 0.000 2.622 542 S HA 0.118 4.589 4.470 0.001 0.000 0.236 542 S C -0.026 174.574 174.600 0.001 0.000 0.956 542 S CA -0.132 58.070 58.200 0.003 0.000 0.971 542 S CB 0.354 63.557 63.200 0.006 0.000 0.782 542 S HN 0.167 8.477 8.310 -0.000 0.000 0.468 543 K N 0.027 120.426 120.400 -0.001 0.000 3.104 543 K HA -0.246 4.075 4.320 0.001 0.000 0.285 543 K C 0.920 177.518 176.600 -0.002 0.000 1.136 543 K CA 1.463 57.748 56.287 -0.003 0.000 0.842 543 K CB -2.207 30.292 32.500 -0.002 0.000 1.217 543 K HN 0.480 8.730 8.250 -0.000 0.000 0.467 544 K N 0.413 120.812 120.400 -0.001 0.000 2.446 544 K HA 0.318 4.639 4.320 0.001 0.000 0.203 544 K C 0.112 176.711 176.600 -0.000 0.000 1.027 544 K CA 0.340 56.627 56.287 0.001 0.000 1.166 544 K CB 0.242 32.745 32.500 0.004 0.000 0.869 544 K HN 0.203 8.453 8.250 -0.000 0.000 0.504 545 L N 1.836 123.056 121.223 -0.005 0.000 2.261 545 L HA 0.527 4.868 4.340 0.001 0.000 0.289 545 L C 0.721 177.586 176.870 -0.008 0.000 1.059 545 L CA -0.479 54.357 54.840 -0.008 0.000 0.816 545 L CB 1.055 43.103 42.059 -0.019 0.000 1.191 545 L HN 0.269 8.499 8.230 -0.000 0.000 0.431 546 G N 3.424 112.221 108.800 -0.005 0.000 2.378 546 G HA2 0.358 4.319 3.960 0.001 0.000 0.255 546 G HA3 0.358 4.319 3.960 0.001 0.000 0.255 546 G C 1.015 175.911 174.900 -0.006 0.000 1.270 546 G CA 0.040 45.137 45.100 -0.005 0.000 0.876 546 G HN 1.071 9.361 8.290 -0.000 0.000 0.521 547 A N 2.417 125.234 122.820 -0.005 0.000 2.067 547 A HA -0.260 4.061 4.320 0.001 0.000 0.224 547 A C 2.038 179.620 177.584 -0.003 0.000 1.172 547 A CA 2.487 54.521 52.037 -0.004 0.000 0.662 547 A CB -0.541 18.459 19.000 -0.000 0.000 0.814 547 A HN 0.759 8.909 8.150 -0.000 0.000 0.468 548 D N 0.062 120.460 120.400 -0.004 0.000 2.126 548 D HA -0.134 4.507 4.640 0.001 0.000 0.190 548 D C 1.757 178.052 176.300 -0.008 0.000 1.001 548 D CA 2.039 56.035 54.000 -0.007 0.000 0.841 548 D CB -0.313 40.481 40.800 -0.010 0.000 0.949 548 D HN 0.414 8.784 8.370 -0.000 0.000 0.446 549 A N -0.430 122.384 122.820 -0.009 0.000 2.239 549 A HA 0.045 4.366 4.320 0.001 0.000 0.209 549 A C 1.533 179.110 177.584 -0.011 0.000 1.171 549 A CA 0.552 52.583 52.037 -0.010 0.000 0.768 549 A CB -0.388 18.608 19.000 -0.007 0.000 0.790 549 A HN 0.343 8.493 8.150 -0.000 0.000 0.478 550 M N -0.867 118.728 119.600 -0.008 0.000 2.404 550 M HA 0.247 4.728 4.480 0.001 0.000 0.271 550 M C -0.124 176.187 176.300 0.019 0.000 1.128 550 M CA 0.362 55.658 55.300 -0.007 0.000 0.982 550 M CB -0.150 32.443 32.600 -0.011 0.000 1.445 550 M HN 0.337 8.627 8.290 -0.000 0.000 0.495 551 Q N -0.070 119.748 119.800 0.029 0.000 2.387 551 Q HA 0.604 4.944 4.340 0.001 0.000 0.273 551 Q C 0.565 176.623 176.000 0.096 0.000 1.089 551 Q CA -0.064 55.771 55.803 0.053 0.000 0.824 551 Q CB 2.204 30.963 28.738 0.036 0.000 1.367 551 Q HN 0.522 8.792 8.270 -0.000 0.000 0.443 552 G N 0.521 109.402 108.800 0.135 0.000 2.246 552 G HA2 -0.190 3.771 3.960 0.001 0.000 0.273 552 G HA3 -0.190 3.771 3.960 0.001 0.000 0.273 552 G C -0.024 175.089 174.900 0.355 0.000 1.055 552 G CA 0.165 45.405 45.100 0.234 0.000 0.851 552 G HN 0.734 9.024 8.290 -0.000 0.000 0.500 553 A N -1.467 121.505 122.820 0.253 0.000 2.322 553 A HA 0.633 4.954 4.320 0.001 0.000 0.269 553 A C 1.465 179.180 177.584 0.220 0.000 1.094 553 A CA 0.365 52.562 52.037 0.266 0.000 0.807 553 A CB 0.744 19.860 19.000 0.193 0.000 1.047 553 A HN 0.988 9.138 8.150 -0.000 0.000 0.487 554 C N -0.413 119.010 119.300 0.205 0.000 2.674 554 C HA 0.468 4.929 4.460 0.001 0.000 0.276 554 C C 0.220 175.357 174.990 0.245 0.000 1.300 554 C CA 0.098 59.193 59.018 0.128 0.000 1.732 554 C CB -1.459 26.290 27.740 0.015 0.000 2.076 554 C HN 0.703 8.933 8.230 -0.000 0.000 0.548 555 F N -0.127 119.870 119.950 0.079 0.000 2.678 555 F HA 0.500 5.028 4.527 0.001 0.000 0.308 555 F C -0.952 174.917 175.800 0.115 0.000 1.118 555 F CA -0.199 57.853 58.000 0.086 0.000 0.959 555 F CB 1.091 40.147 39.000 0.093 0.000 1.305 555 F HN -0.218 8.082 8.300 -0.000 0.000 0.443 556 T N 5.361 119.728 114.554 -0.313 0.000 2.863 556 T HA 0.648 4.999 4.350 0.001 0.000 0.285 556 T C -0.702 173.855 174.700 -0.238 0.000 1.009 556 T CA -0.479 61.540 62.100 -0.134 0.000 0.989 556 T CB 1.516 70.331 68.868 -0.088 0.000 1.004 556 T HN 0.412 8.652 8.240 -0.000 0.000 0.455 557 I N 1.976 122.585 120.570 0.064 0.000 2.404 557 I HA 0.467 4.638 4.170 0.001 0.000 0.293 557 I C 0.075 176.298 176.117 0.178 0.000 0.992 557 I CA -0.602 60.776 61.300 0.130 0.000 1.149 557 I CB 1.868 40.017 38.000 0.247 0.000 1.315 557 I HN 0.485 8.695 8.210 -0.000 0.000 0.446 558 S N 4.379 120.193 115.700 0.189 0.000 2.669 558 S HA 0.349 4.820 4.470 0.001 0.000 0.315 558 S C -0.670 174.139 174.600 0.348 0.000 1.106 558 S CA -0.366 57.998 58.200 0.273 0.000 1.107 558 S CB 1.027 64.421 63.200 0.324 0.000 0.990 558 S HN 0.587 8.897 8.310 -0.000 0.000 0.471 559 S N 4.906 120.787 115.700 0.302 0.000 2.438 559 S HA 0.555 5.026 4.470 0.001 0.000 0.316 559 S C 0.315 175.078 174.600 0.273 0.000 1.084 559 S CA -0.681 57.697 58.200 0.296 0.000 1.107 559 S CB 0.281 63.637 63.200 0.260 0.000 0.981 559 S HN 0.808 9.118 8.310 -0.000 0.000 0.466 560 L N 4.526 125.828 121.223 0.132 0.000 2.906 560 L HA 0.333 4.673 4.340 0.001 0.000 0.255 560 L C 2.234 178.986 176.870 -0.197 0.000 1.166 560 L CA -0.109 54.631 54.840 -0.166 0.000 0.977 560 L CB -0.105 41.747 42.059 -0.346 0.000 1.313 560 L HN 0.823 9.053 8.230 -0.000 0.000 0.549 561 G N 0.639 109.462 108.800 0.039 0.000 2.475 561 G HA2 -0.317 3.644 3.960 0.001 0.000 0.220 561 G HA3 -0.317 3.644 3.960 0.001 0.000 0.220 561 G C 1.237 176.149 174.900 0.021 0.000 1.125 561 G CA 1.323 46.455 45.100 0.054 0.000 0.755 561 G HN 0.721 9.011 8.290 -0.000 0.000 0.565 562 H N -1.054 118.035 119.070 0.031 0.000 2.559 562 H HA 0.323 4.880 4.556 0.001 0.000 0.273 562 H C 1.980 177.311 175.328 0.006 0.000 1.000 562 H CA 0.776 56.836 56.048 0.020 0.000 1.195 562 H CB -0.109 29.667 29.762 0.023 0.000 1.368 562 H HN 0.446 8.726 8.280 -0.000 0.000 0.592 563 I N -0.739 119.595 120.570 -0.392 0.000 3.443 563 I HA 0.422 4.593 4.170 0.001 0.000 0.277 563 I C 1.199 177.229 176.117 -0.146 0.000 1.169 563 I CA 0.527 61.678 61.300 -0.248 0.000 1.419 563 I CB 0.819 38.617 38.000 -0.336 0.000 1.331 563 I HN 0.523 8.733 8.210 -0.000 0.000 0.458 564 G N -0.250 108.462 108.800 -0.145 0.000 2.352 564 G HA2 0.426 4.387 3.960 0.001 0.000 0.283 564 G HA3 0.426 4.387 3.960 0.001 0.000 0.283 564 G C -0.651 174.208 174.900 -0.068 0.000 1.308 564 G CA -0.112 44.941 45.100 -0.077 0.000 0.892 564 G HN 0.734 9.024 8.290 -0.000 0.000 0.504 565 G N -2.603 106.177 108.800 -0.035 0.000 2.675 565 G HA2 0.350 4.311 3.960 0.001 0.000 0.686 565 G HA3 0.350 4.311 3.960 0.001 0.000 0.686 565 G C 0.420 175.341 174.900 0.035 0.000 1.215 565 G CA 0.574 45.669 45.100 -0.008 0.000 0.777 565 G HN 1.587 9.877 8.290 -0.000 0.000 0.638 566 T N 0.309 114.890 114.554 0.044 0.000 3.039 566 T HA 0.639 4.990 4.350 0.001 0.000 0.250 566 T C 1.041 175.798 174.700 0.095 0.000 1.052 566 T CA 2.338 64.465 62.100 0.046 0.000 1.125 566 T CB -0.215 68.655 68.868 0.003 0.000 0.908 566 T HN 2.145 10.385 8.240 -0.000 0.000 0.473 567 A N 0.676 123.595 122.820 0.164 0.000 2.522 567 A HA 0.579 4.900 4.320 0.001 0.000 0.294 567 A C -2.014 175.833 177.584 0.439 0.000 1.001 567 A CA -1.031 51.175 52.037 0.281 0.000 0.642 567 A CB 0.386 19.442 19.000 0.094 0.000 1.326 567 A HN 0.295 8.445 8.150 -0.000 0.000 0.435 568 F N -1.841 118.248 119.950 0.231 0.000 2.745 568 F HA 0.837 5.365 4.527 0.001 0.000 0.316 568 F C 0.009 175.958 175.800 0.247 0.000 1.155 568 F CA -0.433 57.679 58.000 0.186 0.000 0.937 568 F CB 1.287 40.344 39.000 0.094 0.000 1.361 568 F HN 0.754 9.054 8.300 -0.000 0.000 0.472 569 T N 0.392 115.089 114.554 0.237 0.000 3.254 569 T HA 0.496 4.847 4.350 0.001 0.000 0.385 569 T C -2.643 172.063 174.700 0.010 0.000 1.528 569 T CA -1.549 60.580 62.100 0.048 0.000 1.212 569 T CB 0.011 68.956 68.868 0.128 0.000 1.145 569 T HN 0.582 8.822 8.240 -0.000 0.000 0.631 570 P HA 0.298 4.718 4.420 -0.000 0.000 0.270 570 P C -0.234 177.094 177.300 0.046 0.000 1.223 570 P CA -0.535 62.570 63.100 0.009 0.000 0.785 570 P CB 1.082 32.715 31.700 -0.112 0.000 0.923 571 I N 1.358 121.982 120.570 0.091 0.000 2.353 571 I HA 0.101 4.272 4.170 0.001 0.000 0.293 571 I C 0.462 176.710 176.117 0.219 0.000 0.992 571 I CA -1.109 60.284 61.300 0.155 0.000 1.268 571 I CB 1.469 39.540 38.000 0.119 0.000 1.387 571 I HN 0.042 8.252 8.210 -0.000 0.000 0.478 572 V N 6.903 127.029 119.914 0.354 0.000 2.540 572 V HA -0.086 4.035 4.120 0.001 0.000 0.297 572 V C 0.625 176.787 176.094 0.113 0.000 1.024 572 V CA -0.012 62.362 62.300 0.123 0.000 1.105 572 V CB -0.156 31.639 31.823 -0.046 0.000 0.938 572 V HN 0.631 8.821 8.190 -0.000 0.000 0.482 573 N N 4.629 123.361 118.700 0.053 0.000 2.605 573 N HA 0.279 5.020 4.740 0.001 0.000 0.258 573 N C 0.319 175.850 175.510 0.035 0.000 1.156 573 N CA -0.003 53.078 53.050 0.052 0.000 1.008 573 N CB 1.032 39.541 38.487 0.037 0.000 1.354 573 N HN 0.841 9.221 8.380 -0.000 0.000 0.509 574 A N 2.998 125.838 122.820 0.034 0.000 2.540 574 A HA 0.135 4.456 4.320 0.001 0.000 0.239 574 A C -0.663 176.934 177.584 0.021 0.000 1.061 574 A CA -0.621 51.422 52.037 0.011 0.000 0.758 574 A CB 0.128 19.130 19.000 0.003 0.000 0.991 574 A HN 0.425 8.575 8.150 -0.000 0.000 0.502 575 P HA 0.093 4.513 4.420 -0.000 0.000 0.257 575 P C -0.036 177.265 177.300 0.003 0.000 1.281 575 P CA 0.112 63.215 63.100 0.005 0.000 0.826 575 P CB 0.227 31.935 31.700 0.012 0.000 1.237 576 E N -0.444 119.765 120.200 0.015 0.000 2.410 576 E HA 0.130 4.480 4.350 0.001 0.000 0.255 576 E C 0.451 177.046 176.600 -0.007 0.000 1.194 576 E CA -0.424 55.989 56.400 0.023 0.000 0.955 576 E CB 1.186 30.910 29.700 0.041 0.000 0.988 576 E HN -0.210 8.150 8.360 -0.000 0.000 0.461 577 V N 0.002 119.918 119.914 0.004 0.000 3.477 577 V HA 0.361 4.482 4.120 0.001 0.000 0.297 577 V C -0.470 175.623 176.094 -0.001 0.000 1.433 577 V CA 0.681 62.958 62.300 -0.038 0.000 1.052 577 V CB 0.453 32.228 31.823 -0.079 0.000 0.895 577 V HN 0.673 8.863 8.190 -0.000 0.000 0.438 578 A N 0.054 122.905 122.820 0.052 0.000 2.608 578 A HA 0.810 5.131 4.320 0.001 0.000 0.292 578 A C -1.714 175.736 177.584 -0.224 0.000 1.066 578 A CA -0.355 51.713 52.037 0.052 0.000 0.676 578 A CB 1.871 21.049 19.000 0.297 0.000 1.277 578 A HN 0.182 8.332 8.150 -0.000 0.000 0.413 579 I N 0.707 121.090 120.570 -0.311 0.000 2.692 579 I HA 0.526 4.697 4.170 0.001 0.000 0.293 579 I C -1.851 174.054 176.117 -0.354 0.000 1.200 579 I CA -0.859 60.147 61.300 -0.489 0.000 1.036 579 I CB 1.576 39.448 38.000 -0.213 0.000 1.258 579 I HN 0.694 8.904 8.210 -0.000 0.000 0.421 580 L N 7.233 128.244 121.223 -0.352 0.000 2.276 580 L HA 0.603 4.944 4.340 0.001 0.000 0.286 580 L C 0.095 176.935 176.870 -0.051 0.000 1.024 580 L CA -0.297 54.509 54.840 -0.056 0.000 0.826 580 L CB 1.143 43.317 42.059 0.193 0.000 1.211 580 L HN 0.837 9.067 8.230 -0.000 0.000 0.422 581 G N 4.305 113.000 108.800 -0.174 0.000 2.372 581 G HA2 0.494 4.455 3.960 0.001 0.000 0.283 581 G HA3 0.494 4.455 3.960 0.001 0.000 0.283 581 G C -0.896 174.031 174.900 0.046 0.000 1.177 581 G CA -0.264 44.678 45.100 -0.264 0.000 0.842 581 G HN 0.400 8.690 8.290 -0.000 0.000 0.503 582 V N 1.853 121.949 119.914 0.304 0.000 2.531 582 V HA 0.520 4.641 4.120 0.001 0.000 0.301 582 V C 0.113 176.411 176.094 0.341 0.000 1.034 582 V CA -0.552 61.911 62.300 0.272 0.000 0.865 582 V CB 1.488 33.441 31.823 0.217 0.000 0.995 582 V HN 0.823 9.013 8.190 -0.000 0.000 0.424 583 S N 2.625 118.488 115.700 0.272 0.000 2.713 583 S HA 0.495 4.966 4.470 0.001 0.000 0.296 583 S C -0.160 174.514 174.600 0.124 0.000 1.114 583 S CA -0.815 57.508 58.200 0.206 0.000 0.997 583 S CB 1.042 64.378 63.200 0.227 0.000 1.249 583 S HN 0.662 8.972 8.310 -0.000 0.000 0.534 584 K N 1.168 121.615 120.400 0.078 0.000 2.368 584 K HA 0.411 4.732 4.320 0.001 0.000 0.282 584 K C -0.359 176.278 176.600 0.061 0.000 1.035 584 K CA -0.226 56.095 56.287 0.056 0.000 0.973 584 K CB 0.509 33.026 32.500 0.027 0.000 0.957 584 K HN 0.628 8.878 8.250 -0.000 0.000 0.474 585 A N 2.723 125.579 122.820 0.060 0.000 2.354 585 A HA 0.385 4.706 4.320 0.001 0.000 0.269 585 A C -0.544 177.065 177.584 0.042 0.000 1.109 585 A CA -0.322 51.748 52.037 0.056 0.000 0.800 585 A CB 0.436 19.470 19.000 0.057 0.000 1.045 585 A HN 0.764 8.914 8.150 -0.000 0.000 0.489 586 S N 1.346 117.069 115.700 0.039 0.000 2.588 586 S HA 0.648 5.119 4.470 0.001 0.000 0.275 586 S C -0.543 174.075 174.600 0.030 0.000 1.130 586 S CA -0.776 57.442 58.200 0.030 0.000 0.855 586 S CB 1.072 64.285 63.200 0.022 0.000 1.116 586 S HN 0.690 9.000 8.310 -0.000 0.000 0.472 587 M N 2.653 122.269 119.600 0.026 0.000 2.217 587 M HA 0.363 4.844 4.480 0.001 0.000 0.352 587 M C -0.685 175.631 176.300 0.026 0.000 1.376 587 M CA 0.647 55.965 55.300 0.029 0.000 1.107 587 M CB 0.140 32.755 32.600 0.025 0.000 1.723 587 M HN 0.595 8.885 8.290 -0.000 0.000 0.461 588 Q N 6.017 125.839 119.800 0.036 0.000 2.413 588 Q HA 0.613 4.954 4.340 0.001 0.000 0.276 588 Q C -2.613 173.420 176.000 0.056 0.000 1.099 588 Q CA -1.815 54.007 55.803 0.031 0.000 0.814 588 Q CB 1.791 30.552 28.738 0.039 0.000 1.379 588 Q HN 0.425 8.695 8.270 -0.000 0.000 0.436 589 P HA 0.273 4.693 4.420 -0.000 0.000 0.287 589 P C -0.734 176.723 177.300 0.262 0.000 1.281 589 P CA -0.298 62.873 63.100 0.118 0.000 0.781 589 P CB 1.035 32.700 31.700 -0.059 0.000 0.903 590 V N 4.881 125.025 119.914 0.383 0.000 2.588 590 V HA 0.260 4.381 4.120 0.001 0.000 0.304 590 V C -0.115 176.240 176.094 0.436 0.000 1.042 590 V CA -0.823 61.710 62.300 0.389 0.000 0.877 590 V CB 2.413 34.357 31.823 0.202 0.000 0.996 590 V HN 0.674 8.864 8.190 -0.000 0.000 0.425 591 W N 6.038 127.432 121.300 0.156 0.000 2.368 591 W HA 0.159 4.820 4.660 0.001 0.000 0.316 591 W C 0.627 177.078 176.519 -0.113 0.000 1.375 591 W CA -0.126 57.098 57.345 -0.202 0.000 1.261 591 W CB 0.980 30.287 29.460 -0.254 0.000 1.298 591 W HN 0.905 9.085 8.180 -0.000 0.000 0.539 592 D N 3.839 123.908 120.400 -0.551 0.000 2.370 592 D HA 0.117 4.758 4.640 0.001 0.000 0.230 592 D C 1.321 177.266 176.300 -0.591 0.000 1.143 592 D CA 0.437 54.183 54.000 -0.423 0.000 0.834 592 D CB 0.113 40.719 40.800 -0.322 0.000 0.944 592 D HN 0.728 9.098 8.370 -0.000 0.000 0.504 593 G N 1.322 109.564 108.800 -0.929 0.000 2.267 593 G HA2 -0.370 3.591 3.960 0.001 0.000 0.257 593 G HA3 -0.370 3.591 3.960 0.001 0.000 0.257 593 G C 1.164 175.605 174.900 -0.766 0.000 0.998 593 G CA 0.740 45.503 45.100 -0.562 0.000 0.620 593 G HN 0.474 8.764 8.290 -0.000 0.000 0.529 594 K N -0.715 118.977 120.400 -1.179 0.000 2.631 594 K HA 0.723 5.043 4.320 0.001 0.000 0.200 594 K C 0.702 176.642 176.600 -1.101 0.000 1.481 594 K CA 1.698 57.480 56.287 -0.842 0.000 1.087 594 K CB 0.706 32.955 32.500 -0.419 0.000 1.502 594 K HN 1.295 9.545 8.250 -0.000 0.000 0.560 595 A N -0.526 121.577 122.820 -1.195 0.000 2.588 595 A HA 0.669 4.990 4.320 0.001 0.000 0.290 595 A C -1.616 175.614 177.584 -0.589 0.000 1.136 595 A CA -0.664 50.938 52.037 -0.725 0.000 0.681 595 A CB 0.430 19.271 19.000 -0.265 0.000 1.282 595 A HN 0.004 8.154 8.150 -0.000 0.000 0.421 596 F N 0.849 120.837 119.950 0.065 0.000 2.411 596 F HA 0.577 5.104 4.527 0.001 0.000 0.350 596 F C 0.588 176.412 175.800 0.039 0.000 1.114 596 F CA 0.137 58.220 58.000 0.139 0.000 1.135 596 F CB 1.720 40.842 39.000 0.204 0.000 1.120 596 F HN 0.454 8.754 8.300 -0.000 0.000 0.495 597 Q N 5.398 125.307 119.800 0.182 0.000 2.245 597 Q HA 0.403 4.744 4.340 0.001 0.000 0.256 597 Q C -2.515 173.560 176.000 0.124 0.000 0.942 597 Q CA -2.558 53.304 55.803 0.099 0.000 0.896 597 Q CB 1.518 30.273 28.738 0.029 0.000 1.272 597 Q HN 0.188 8.458 8.270 -0.000 0.000 0.442 598 P HA 0.235 4.655 4.420 -0.000 0.000 0.281 598 P C -0.805 176.531 177.300 0.060 0.000 1.286 598 P CA -0.359 62.784 63.100 0.072 0.000 0.772 598 P CB 0.819 32.550 31.700 0.053 0.000 0.862 599 R N 2.614 123.153 120.500 0.065 0.000 2.711 599 R HA 0.481 4.822 4.340 0.001 0.000 0.284 599 R C -0.426 175.903 176.300 0.049 0.000 0.968 599 R CA -1.467 54.665 56.100 0.053 0.000 0.924 599 R CB 1.076 31.412 30.300 0.059 0.000 1.162 599 R HN 0.422 8.692 8.270 -0.000 0.000 0.465 600 L N 3.128 124.377 121.223 0.043 0.000 2.315 600 L HA 0.330 4.671 4.340 0.001 0.000 0.283 600 L C -0.601 176.297 176.870 0.047 0.000 1.089 600 L CA 0.529 55.395 54.840 0.043 0.000 0.833 600 L CB 0.324 42.407 42.059 0.040 0.000 1.170 600 L HN 0.377 8.607 8.230 -0.000 0.000 0.442 601 M N 6.376 126.005 119.600 0.049 0.000 2.227 601 M HA 0.328 4.809 4.480 0.001 0.000 0.335 601 M C -1.017 175.319 176.300 0.059 0.000 1.053 601 M CA -0.686 54.647 55.300 0.054 0.000 0.973 601 M CB 1.473 34.106 32.600 0.055 0.000 1.623 601 M HN 0.476 8.766 8.290 -0.000 0.000 0.434 602 L N 7.199 128.462 121.223 0.066 0.000 2.265 602 L HA 0.550 4.891 4.340 0.001 0.000 0.289 602 L C -2.389 174.537 176.870 0.093 0.000 1.033 602 L CA -1.465 53.422 54.840 0.079 0.000 0.814 602 L CB 1.303 43.409 42.059 0.079 0.000 1.203 602 L HN 0.340 8.570 8.230 -0.000 0.000 0.423 603 P HA 0.257 4.677 4.420 -0.000 0.000 0.276 603 P C -1.139 176.256 177.300 0.157 0.000 1.253 603 P CA 0.074 63.252 63.100 0.131 0.000 0.766 603 P CB 0.577 32.354 31.700 0.128 0.000 0.845 604 L N 2.560 123.880 121.223 0.162 0.000 2.334 604 L HA 0.549 4.890 4.340 0.001 0.000 0.276 604 L C 0.170 177.130 176.870 0.151 0.000 1.014 604 L CA -0.300 54.628 54.840 0.147 0.000 0.815 604 L CB 1.755 43.894 42.059 0.133 0.000 1.268 604 L HN 0.229 8.459 8.230 -0.000 0.000 0.428 605 S N 3.504 119.229 115.700 0.043 0.000 2.746 605 S HA 0.370 4.841 4.470 0.001 0.000 0.273 605 S C -0.806 173.692 174.600 -0.170 0.000 1.172 605 S CA -0.396 57.748 58.200 -0.092 0.000 1.116 605 S CB 1.287 64.381 63.200 -0.178 0.000 1.057 605 S HN 0.380 8.690 8.310 -0.000 0.000 0.483 606 L N 3.856 125.016 121.223 -0.106 0.000 2.270 606 L HA 0.505 4.846 4.340 0.001 0.000 0.286 606 L C -0.040 176.827 176.870 -0.005 0.000 1.059 606 L CA 0.383 55.222 54.840 -0.001 0.000 0.839 606 L CB 0.547 42.684 42.059 0.130 0.000 1.221 606 L HN 0.465 8.695 8.230 -0.000 0.000 0.431 607 S N 4.356 120.022 115.700 -0.055 0.000 2.562 607 S HA 0.606 5.077 4.470 0.001 0.000 0.275 607 S C -0.900 173.747 174.600 0.078 0.000 1.281 607 S CA -0.177 57.999 58.200 -0.039 0.000 1.045 607 S CB 0.603 63.792 63.200 -0.020 0.000 0.962 607 S HN 0.568 8.878 8.310 -0.000 0.000 0.503 608 Y N -0.691 119.571 120.300 -0.063 0.000 2.625 608 Y HA 0.590 5.141 4.550 0.001 0.000 0.338 608 Y C -0.984 174.805 175.900 -0.184 0.000 1.123 608 Y CA -1.629 56.410 58.100 -0.103 0.000 1.046 608 Y CB 0.615 39.037 38.460 -0.063 0.000 1.299 608 Y HN 0.401 8.681 8.280 -0.000 0.000 0.464 609 D N 1.407 121.780 120.400 -0.045 0.000 2.393 609 D HA 0.132 4.773 4.640 0.001 0.000 0.232 609 D C 0.813 177.093 176.300 -0.033 0.000 1.192 609 D CA -0.409 53.492 54.000 -0.165 0.000 0.882 609 D CB 0.755 41.460 40.800 -0.159 0.000 1.038 609 D HN 0.830 9.200 8.370 -0.000 0.000 0.499 610 C N 3.170 122.423 119.300 -0.079 0.000 2.511 610 C HA 0.170 4.631 4.460 0.001 0.000 0.277 610 C C 2.031 177.013 174.990 -0.014 0.000 1.451 610 C CA -0.457 58.593 59.018 0.053 0.000 1.735 610 C CB -0.989 26.754 27.740 0.005 0.000 1.704 610 C HN 0.549 8.779 8.230 -0.000 0.000 0.571 611 R N 0.831 121.292 120.500 -0.066 0.000 2.115 611 R HA -0.004 4.337 4.340 0.001 0.000 0.230 611 R C 1.973 178.230 176.300 -0.072 0.000 1.111 611 R CA 1.463 57.521 56.100 -0.069 0.000 0.976 611 R CB -0.159 30.091 30.300 -0.083 0.000 0.870 611 R HN 0.563 8.833 8.270 -0.000 0.000 0.445 612 V N 0.196 120.057 119.914 -0.088 0.000 2.788 612 V HA 0.129 4.250 4.120 0.001 0.000 0.241 612 V C 0.805 176.798 176.094 -0.170 0.000 1.083 612 V CA 0.608 62.832 62.300 -0.125 0.000 1.103 612 V CB 0.292 32.026 31.823 -0.148 0.000 0.800 612 V HN 0.074 8.264 8.190 -0.000 0.000 0.476 613 I N 2.783 123.253 120.570 -0.166 0.000 2.362 613 I HA 0.307 4.478 4.170 0.001 0.000 0.289 613 I C -0.247 175.791 176.117 -0.131 0.000 0.994 613 I CA -0.355 60.771 61.300 -0.290 0.000 1.158 613 I CB 1.349 38.999 38.000 -0.582 0.000 1.315 613 I HN 0.361 8.571 8.210 -0.000 0.000 0.451 614 N N 5.008 123.633 118.700 -0.125 0.000 2.463 614 N HA 0.168 4.909 4.740 0.001 0.000 0.270 614 N C 1.057 176.531 175.510 -0.060 0.000 1.205 614 N CA -0.192 52.844 53.050 -0.023 0.000 0.974 614 N CB 1.093 39.568 38.487 -0.021 0.000 1.197 614 N HN 0.647 9.027 8.380 -0.000 0.000 0.504 615 G N 0.352 109.189 108.800 0.062 0.000 2.513 615 G HA2 -0.338 3.623 3.960 0.001 0.000 0.219 615 G HA3 -0.338 3.623 3.960 0.001 0.000 0.219 615 G C 1.423 176.328 174.900 0.008 0.000 1.160 615 G CA 1.836 46.986 45.100 0.083 0.000 0.767 615 G HN 0.805 9.095 8.290 -0.000 0.000 0.571 616 A N 0.937 123.763 122.820 0.010 0.000 1.933 616 A HA 0.301 4.622 4.320 0.001 0.000 0.218 616 A C 2.823 180.415 177.584 0.015 0.000 1.175 616 A CA 2.250 54.296 52.037 0.016 0.000 0.628 616 A CB -0.728 18.282 19.000 0.017 0.000 0.814 616 A HN 0.914 9.064 8.150 -0.000 0.000 0.444 617 A N -0.241 122.576 122.820 -0.005 0.000 1.933 617 A HA 0.194 4.515 4.320 0.001 0.000 0.218 617 A C 2.426 180.108 177.584 0.164 0.000 1.175 617 A CA 1.909 53.985 52.037 0.065 0.000 0.628 617 A CB -0.806 18.196 19.000 0.002 0.000 0.814 617 A HN 1.003 9.153 8.150 -0.000 0.000 0.444 618 A N -0.398 122.406 122.820 -0.028 0.000 1.968 618 A HA 0.302 4.623 4.320 0.001 0.000 0.217 618 A C 2.402 180.012 177.584 0.044 0.000 1.169 618 A CA 1.610 53.616 52.037 -0.051 0.000 0.638 618 A CB -0.734 17.826 19.000 -0.733 0.000 0.812 618 A HN 0.935 9.085 8.150 -0.000 0.000 0.446 619 A N -0.315 122.529 122.820 0.041 0.000 1.968 619 A HA -0.078 4.243 4.320 0.001 0.000 0.217 619 A C 2.208 179.831 177.584 0.064 0.000 1.169 619 A CA 1.469 53.547 52.037 0.067 0.000 0.638 619 A CB -0.411 18.626 19.000 0.062 0.000 0.812 619 A HN 0.516 8.666 8.150 -0.000 0.000 0.446 620 R N -1.757 118.781 120.500 0.064 0.000 2.075 620 R HA -0.099 4.241 4.340 0.001 0.000 0.232 620 R C 1.925 178.240 176.300 0.026 0.000 1.126 620 R CA 1.587 57.714 56.100 0.044 0.000 0.963 620 R CB -0.397 29.937 30.300 0.057 0.000 0.858 620 R HN 0.498 8.768 8.270 -0.000 0.000 0.435 621 F N 1.232 121.100 119.950 -0.138 0.000 2.102 621 F HA -0.226 4.302 4.527 0.002 0.000 0.298 621 F C 2.367 178.049 175.800 -0.196 0.000 1.105 621 F CA 2.261 60.074 58.000 -0.313 0.000 1.239 621 F CB -0.478 38.066 39.000 -0.759 0.000 0.991 621 F HN 0.111 8.411 8.300 -0.000 0.000 0.474 622 T N -1.965 112.662 114.554 0.121 0.000 2.951 622 T HA -0.136 4.215 4.350 0.001 0.000 0.268 622 T C 2.095 176.783 174.700 -0.020 0.000 1.073 622 T CA 1.006 63.148 62.100 0.070 0.000 1.134 622 T CB -0.401 68.547 68.868 0.133 0.000 0.884 622 T HN 0.195 8.435 8.240 -0.000 0.000 0.479 623 K N 0.970 121.359 120.400 -0.018 0.000 2.025 623 K HA -0.048 4.273 4.320 0.001 0.000 0.207 623 K C 2.583 179.136 176.600 -0.078 0.000 1.049 623 K CA 0.744 57.015 56.287 -0.026 0.000 0.933 623 K CB -0.148 32.349 32.500 -0.004 0.000 0.714 623 K HN 0.171 8.421 8.250 -0.000 0.000 0.438 624 R N 0.924 121.342 120.500 -0.138 0.000 2.073 624 R HA -0.139 4.202 4.340 0.001 0.000 0.234 624 R C 2.350 178.522 176.300 -0.214 0.000 1.134 624 R CA 0.799 56.796 56.100 -0.172 0.000 0.952 624 R CB -1.038 29.125 30.300 -0.227 0.000 0.850 624 R HN 0.222 8.492 8.270 -0.000 0.000 0.433 625 L N 0.524 121.556 121.223 -0.318 0.000 2.042 625 L HA -0.051 4.290 4.340 0.001 0.000 0.210 625 L C 2.135 178.930 176.870 -0.126 0.000 1.076 625 L CA 2.287 56.966 54.840 -0.269 0.000 0.749 625 L CB -1.210 40.663 42.059 -0.311 0.000 0.893 625 L HN 0.240 8.470 8.230 -0.000 0.000 0.432 626 G N -1.284 107.469 108.800 -0.079 0.000 2.422 626 G HA2 -0.270 3.691 3.960 0.001 0.000 0.218 626 G HA3 -0.270 3.691 3.960 0.001 0.000 0.218 626 G C 1.289 176.164 174.900 -0.042 0.000 1.146 626 G CA 0.842 45.923 45.100 -0.032 0.000 0.769 626 G HN 0.424 8.714 8.290 -0.000 0.000 0.547 627 D N 0.412 120.776 120.400 -0.059 0.000 2.117 627 D HA -0.040 4.601 4.640 0.001 0.000 0.198 627 D C 2.648 178.902 176.300 -0.078 0.000 0.982 627 D CA 0.462 54.427 54.000 -0.058 0.000 0.828 627 D CB -0.177 40.587 40.800 -0.059 0.000 0.967 627 D HN 0.300 8.670 8.370 -0.000 0.000 0.464 628 L N 0.092 121.254 121.223 -0.102 0.000 2.109 628 L HA -0.060 4.281 4.340 0.001 0.000 0.207 628 L C 2.464 179.268 176.870 -0.110 0.000 1.086 628 L CA 0.512 55.276 54.840 -0.128 0.000 0.760 628 L CB -0.240 41.729 42.059 -0.151 0.000 0.910 628 L HN 0.020 8.250 8.230 -0.000 0.000 0.437 629 L N -0.454 120.722 121.223 -0.079 0.000 2.156 629 L HA -0.105 4.236 4.340 0.001 0.000 0.208 629 L C 2.817 179.661 176.870 -0.042 0.000 1.095 629 L CA 0.794 55.603 54.840 -0.051 0.000 0.770 629 L CB -0.634 41.413 42.059 -0.020 0.000 0.914 629 L HN 0.209 8.439 8.230 -0.000 0.000 0.439 630 A N -1.142 121.654 122.820 -0.040 0.000 1.969 630 A HA -0.170 4.151 4.320 0.001 0.000 0.218 630 A C 0.804 178.356 177.584 -0.053 0.000 1.169 630 A CA 1.405 53.423 52.037 -0.032 0.000 0.635 630 A CB -0.124 18.861 19.000 -0.024 0.000 0.810 630 A HN 0.335 8.485 8.150 -0.000 0.000 0.445 631 D N -1.513 118.839 120.400 -0.080 0.000 2.330 631 D HA 0.292 4.933 4.640 0.001 0.000 0.249 631 D C 0.141 176.353 176.300 -0.147 0.000 1.306 631 D CA -0.533 53.404 54.000 -0.105 0.000 0.956 631 D CB 0.549 41.294 40.800 -0.092 0.000 1.261 631 D HN 0.004 8.374 8.370 -0.000 0.000 0.544 632 I N 3.010 123.474 120.570 -0.176 0.000 2.916 632 I HA -0.046 4.125 4.170 0.001 0.000 0.267 632 I C 1.854 177.824 176.117 -0.244 0.000 1.263 632 I CA 1.034 62.206 61.300 -0.214 0.000 1.471 632 I CB 0.018 37.885 38.000 -0.221 0.000 1.089 632 I HN 0.253 8.463 8.210 -0.000 0.000 0.468 633 R N 0.219 120.585 120.500 -0.223 0.000 2.237 633 R HA -0.019 4.322 4.340 0.001 0.000 0.219 633 R C 2.179 178.362 176.300 -0.196 0.000 1.080 633 R CA 0.921 56.901 56.100 -0.200 0.000 0.995 633 R CB -0.455 29.749 30.300 -0.161 0.000 0.875 633 R HN 0.429 8.699 8.270 -0.000 0.000 0.462 634 A N 1.069 123.763 122.820 -0.210 0.000 2.121 634 A HA -0.086 4.234 4.320 0.001 0.000 0.218 634 A C 1.986 179.351 177.584 -0.366 0.000 1.154 634 A CA 0.862 52.767 52.037 -0.219 0.000 0.679 634 A CB -0.353 18.533 19.000 -0.189 0.000 0.795 634 A HN 0.213 8.363 8.150 -0.000 0.000 0.458 635 I N -0.784 119.495 120.570 -0.486 0.000 2.493 635 I HA -0.176 3.995 4.170 0.001 0.000 0.254 635 I C 1.764 177.655 176.117 -0.376 0.000 1.160 635 I CA 0.508 61.365 61.300 -0.739 0.000 1.445 635 I CB -0.024 37.650 38.000 -0.543 0.000 1.086 635 I HN 0.216 8.426 8.210 -0.000 0.000 0.433 636 L N 0.441 121.530 121.223 -0.224 0.000 2.376 636 L HA 0.045 4.386 4.340 0.001 0.000 0.219 636 L C 0.959 177.791 176.870 -0.063 0.000 1.133 636 L CA 1.230 56.001 54.840 -0.115 0.000 0.816 636 L CB -0.951 41.046 42.059 -0.105 0.000 0.933 636 L HN 0.168 8.398 8.230 -0.000 0.000 0.449 637 L N 0.000 121.185 121.223 -0.064 0.000 2.949 637 L HA 0.000 4.341 4.340 0.001 0.000 0.249 637 L CA 0.000 54.834 54.840 -0.011 0.000 0.813 637 L CB 0.000 42.044 42.059 -0.025 0.000 0.961 637 L HN 0.000 8.230 8.230 -0.000 0.000 0.502