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 2v9l_1_A DATA FIRST_RESID 1 DATA SEQUENCE MQNITYSWFV QGMIKATTDA WLKGWDERNG GNLTLRLDDA DIAPYHDNFH DATA SEQUENCE QQPRYIPLSQ PMPLLANTPF IVTGSGKFFR NVQLDPAANL GIVKVDSDGA DATA SEQUENCE GYHILWGLTN EAVPTSELPA HFLSHCERIK ATNGKDRVIM HCHATNLIAL DATA SEQUENCE TYVLENDTAV FTRQLWEGST ECLVVFPDGV GILPWMVPGT DAIGQATAQE DATA SEQUENCE MQKHSLVLWP FHGVFGSGPT LDETFGLIDT AEKSAQVLVK VYSMGGMKQT DATA SEQUENCE ISREELIALG KRFGVTPLAS ALAL 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 1 M HA 0.000 4.448 4.480 -0.053 0.000 0.227 1 M C 0.000 176.290 176.300 -0.017 0.000 1.140 1 M CA 0.000 55.282 55.300 -0.031 0.000 0.988 1 M CB 0.000 32.580 32.600 -0.033 0.000 1.302 2 Q N -0.150 119.655 119.800 0.008 0.000 2.359 2 Q HA -0.351 4.021 4.340 0.053 0.000 0.183 2 Q C -0.438 175.665 176.000 0.173 0.000 2.894 2 Q CA 2.166 58.012 55.803 0.071 0.000 0.213 2 Q CB -1.091 27.634 28.738 -0.022 0.000 0.241 2 Q HN 0.471 8.739 8.270 -0.003 0.000 0.390 3 N N 0.259 119.080 118.700 0.203 0.000 3.925 3 N HA -0.313 4.494 4.740 0.112 0.000 0.278 3 N C -0.018 175.496 175.510 0.007 0.000 2.104 3 N CA 0.166 53.306 53.050 0.151 0.000 2.544 3 N CB -0.253 38.361 38.487 0.213 0.000 0.490 3 N HN -0.136 8.298 8.380 0.193 0.062 0.551 4 I N 5.416 125.830 120.570 -0.259 0.000 2.567 4 I HA -0.398 2.963 4.170 -1.347 0.000 0.257 4 I C 0.696 176.299 176.117 -0.856 0.000 1.184 4 I CA 2.190 62.939 61.300 -0.919 0.000 1.451 4 I CB 0.108 37.451 38.000 -1.095 0.000 1.089 4 I HN 0.569 8.689 8.210 -0.150 0.000 0.441 5 T N 1.703 115.901 114.554 -0.594 0.000 2.822 5 T HA -0.366 3.618 4.350 -0.611 0.000 0.270 5 T C 0.395 174.575 174.700 -0.866 0.000 1.064 5 T CA 4.432 66.108 62.100 -0.707 0.000 1.131 5 T CB -0.131 68.288 68.868 -0.747 0.000 0.858 5 T HN -0.039 8.227 8.240 -0.409 -0.271 0.483 6 Y N -3.767 116.370 120.300 -0.271 0.000 2.468 6 Y HA -0.001 4.442 4.550 -0.177 0.000 0.268 6 Y C -0.620 175.126 175.900 -0.257 0.000 1.177 6 Y CA -0.931 57.049 58.100 -0.200 0.000 1.265 6 Y CB 0.193 38.596 38.460 -0.095 0.000 1.103 6 Y HN -0.705 7.312 8.280 -0.373 0.039 0.522 7 S N -0.154 115.255 115.700 -0.484 0.000 2.576 7 S HA -0.146 4.149 4.470 -0.292 0.000 0.272 7 S C 1.296 175.552 174.600 -0.573 0.000 1.352 7 S CA -0.452 57.340 58.200 -0.681 0.000 1.021 7 S CB 1.795 63.973 63.200 -1.703 0.000 0.887 7 S HN -0.567 7.159 8.310 -0.654 0.191 0.542 8 W N 1.025 122.116 121.300 -0.349 0.000 2.363 8 W HA -0.268 4.323 4.660 -0.114 0.000 0.296 8 W C 0.705 177.135 176.519 -0.147 0.000 1.212 8 W CA 2.158 59.415 57.345 -0.147 0.000 1.260 8 W CB -0.816 28.657 29.460 0.022 0.000 1.131 8 W HN 0.733 8.859 8.180 -0.090 0.000 0.530 9 F N -2.041 117.319 119.950 -0.982 0.000 2.234 9 F HA -0.092 3.993 4.527 -0.736 0.000 0.296 9 F C 1.144 176.660 175.800 -0.473 0.000 1.089 9 F CA 2.080 59.483 58.000 -0.996 0.000 1.343 9 F CB -1.228 36.832 39.000 -1.567 0.000 1.040 9 F HN -0.473 6.634 8.300 -1.954 0.020 0.498 10 V N 1.649 121.099 119.914 -0.774 0.000 2.307 10 V HA -0.442 3.518 4.120 -0.267 0.000 0.245 10 V C 2.307 178.236 176.094 -0.275 0.000 1.045 10 V CA 3.920 65.951 62.300 -0.448 0.000 1.024 10 V CB -0.973 30.474 31.823 -0.626 0.000 0.651 10 V HN -0.529 6.822 8.190 -1.398 0.000 0.449 11 Q N -1.277 118.357 119.800 -0.276 0.000 2.096 11 Q HA -0.310 3.955 4.340 -0.125 0.000 0.204 11 Q C 3.074 179.045 176.000 -0.047 0.000 0.982 11 Q CA 3.292 59.021 55.803 -0.122 0.000 0.850 11 Q CB -0.788 27.915 28.738 -0.058 0.000 0.901 11 Q HN -0.118 7.924 8.270 -0.380 0.000 0.422 12 G N -0.955 107.847 108.800 0.003 0.000 2.408 12 G HA2 -0.303 3.751 3.960 0.156 0.000 0.217 12 G HA3 -0.303 3.696 3.960 0.065 0.000 0.217 12 G C 1.382 176.296 174.900 0.023 0.000 1.150 12 G CA 1.931 47.073 45.100 0.070 0.000 0.776 12 G HN 0.131 8.414 8.290 -0.012 0.000 0.542 13 M N 1.990 121.584 119.600 -0.011 0.000 2.117 13 M HA -0.274 4.197 4.480 -0.015 0.000 0.262 13 M C 2.355 178.607 176.300 -0.080 0.000 1.065 13 M CA 2.433 57.712 55.300 -0.034 0.000 1.114 13 M CB -0.670 31.914 32.600 -0.027 0.000 1.361 13 M HN -0.446 7.827 8.290 -0.029 0.000 0.408 14 I N 0.393 120.918 120.570 -0.076 0.000 2.179 14 I HA -0.530 3.587 4.170 -0.088 0.000 0.242 14 I C 2.396 178.472 176.117 -0.068 0.000 1.088 14 I CA 4.213 65.467 61.300 -0.076 0.000 1.357 14 I CB -0.326 37.633 38.000 -0.068 0.000 1.051 14 I HN -0.076 8.088 8.210 -0.076 0.000 0.409 15 K N -0.093 120.271 120.400 -0.059 0.000 2.026 15 K HA -0.402 3.879 4.320 -0.065 0.000 0.208 15 K C 1.931 178.464 176.600 -0.112 0.000 1.048 15 K CA 3.550 59.792 56.287 -0.075 0.000 0.929 15 K CB -0.055 32.403 32.500 -0.070 0.000 0.713 15 K HN -0.306 7.914 8.250 -0.050 0.000 0.439 16 A N -2.931 119.835 122.820 -0.090 0.000 1.898 16 A HA -0.210 3.998 4.320 -0.187 0.000 0.216 16 A C 2.006 179.602 177.584 0.019 0.000 1.181 16 A CA 3.267 55.274 52.037 -0.050 0.000 0.620 16 A CB -0.569 18.474 19.000 0.073 0.000 0.819 16 A HN -0.161 7.952 8.150 -0.062 0.000 0.442 17 T N -2.636 111.824 114.554 -0.156 0.000 2.821 17 T HA -0.375 3.681 4.350 -0.489 0.000 0.267 17 T C 1.946 176.672 174.700 0.044 0.000 1.046 17 T CA 4.025 65.909 62.100 -0.361 0.000 1.139 17 T CB -0.831 67.576 68.868 -0.769 0.000 0.871 17 T HN -0.360 7.774 8.240 -0.176 0.000 0.454 18 T N 3.855 118.433 114.554 0.040 0.000 2.777 18 T HA -0.270 4.217 4.350 0.228 0.000 0.266 18 T C 1.620 176.421 174.700 0.169 0.000 1.040 18 T CA 5.439 67.625 62.100 0.143 0.000 1.141 18 T CB -0.647 68.260 68.868 0.065 0.000 0.868 18 T HN -0.307 7.917 8.240 -0.028 0.000 0.444 19 D N 1.438 121.865 120.400 0.045 0.000 2.117 19 D HA -0.223 4.393 4.640 -0.040 0.000 0.197 19 D C 1.948 178.297 176.300 0.081 0.000 0.987 19 D CA 3.338 57.326 54.000 -0.021 0.000 0.829 19 D CB -0.549 40.066 40.800 -0.309 0.000 0.961 19 D HN -0.167 8.199 8.370 -0.008 0.000 0.460 20 A N -0.607 122.395 122.820 0.305 0.000 1.930 20 A HA -0.169 4.104 4.320 -0.079 0.000 0.217 20 A C 1.576 179.244 177.584 0.140 0.000 1.175 20 A CA 2.821 55.018 52.037 0.267 0.000 0.627 20 A CB -0.814 18.595 19.000 0.681 0.000 0.815 20 A HN -0.337 8.027 8.150 0.357 0.000 0.443 21 W N -0.980 120.412 121.300 0.154 0.000 2.335 21 W HA -0.412 4.295 4.660 0.079 0.000 0.311 21 W C 2.128 178.625 176.519 -0.038 0.000 1.213 21 W CA 3.123 60.516 57.345 0.079 0.000 1.274 21 W CB 0.012 29.547 29.460 0.124 0.000 1.148 21 W HN -0.312 8.185 8.180 0.529 0.000 0.498 22 L N -2.010 119.035 121.223 -0.297 0.000 2.191 22 L HA -0.380 3.592 4.340 -0.613 0.000 0.212 22 L C 1.917 178.506 176.870 -0.468 0.000 1.103 22 L CA 2.412 56.998 54.840 -0.423 0.000 0.769 22 L CB -0.394 41.569 42.059 -0.160 0.000 0.908 22 L HN -0.347 7.884 8.230 0.001 0.000 0.438 23 K N -3.263 116.799 120.400 -0.562 0.000 2.439 23 K HA -0.077 3.898 4.320 -0.575 0.000 0.197 23 K C 0.987 177.213 176.600 -0.622 0.000 1.041 23 K CA -0.149 55.663 56.287 -0.793 0.000 0.970 23 K CB -0.034 31.360 32.500 -1.843 0.000 0.773 23 K HN -0.476 7.342 8.250 -0.519 0.121 0.479 24 G N -3.060 105.435 108.800 -0.508 0.000 2.137 24 G HA2 -0.253 3.580 3.960 -0.213 0.000 0.237 24 G HA3 -0.253 3.458 3.960 -0.415 0.000 0.237 24 G C 0.417 175.332 174.900 0.024 0.000 1.002 24 G CA 0.524 45.449 45.100 -0.291 0.000 0.702 24 G HN -0.334 7.433 8.290 -0.586 0.172 0.515 25 W N -2.538 118.695 121.300 -0.111 0.000 3.197 25 W HA 0.209 4.989 4.660 -0.064 -0.158 0.274 25 W C -1.246 175.183 176.519 -0.151 0.000 1.297 25 W CA -1.724 55.568 57.345 -0.089 0.000 1.662 25 W CB 0.000 29.408 29.460 -0.086 0.000 1.106 25 W HN -0.643 7.448 8.180 -0.092 0.034 0.663 26 D N -2.815 117.622 120.400 0.061 0.000 3.060 26 D HA 0.219 4.837 4.640 -0.341 -0.183 0.326 26 D C -1.188 175.133 176.300 0.035 0.000 1.253 26 D CA -0.495 53.421 54.000 -0.140 0.000 0.737 26 D CB 0.910 41.513 40.800 -0.328 0.000 1.260 26 D HN -0.263 8.090 8.370 0.067 0.057 0.542 27 E N -0.497 119.721 120.200 0.030 0.000 2.437 27 E HA -0.215 4.271 4.350 0.227 0.000 0.263 27 E C 0.238 176.715 176.600 -0.206 0.000 1.030 27 E CA 0.735 57.161 56.400 0.044 0.000 0.934 27 E CB 0.553 30.274 29.700 0.035 0.000 0.943 27 E HN -0.087 8.283 8.360 0.017 0.000 0.444 28 R N 1.867 122.080 120.500 -0.477 0.000 3.835 28 R HA -0.495 2.674 4.340 -1.951 0.000 0.455 28 R C 0.139 175.852 176.300 -0.979 0.000 0.241 28 R CA 2.638 58.109 56.100 -1.048 0.000 1.439 28 R CB -1.089 28.961 30.300 -0.416 0.000 0.987 28 R HN 0.619 8.669 8.270 -0.367 0.000 0.570 29 N N -1.365 117.109 118.700 -0.376 0.000 2.276 29 N HA 0.064 4.987 4.740 0.003 -0.181 0.212 29 N C 0.367 175.773 175.510 -0.172 0.000 1.127 29 N CA -0.070 52.938 53.050 -0.069 0.000 0.834 29 N CB -0.207 38.367 38.487 0.145 0.000 1.014 29 N HN 0.084 8.308 8.380 -0.261 0.000 0.491 30 G N -0.118 108.486 108.800 -0.327 0.000 2.365 30 G HA2 -0.090 3.387 3.960 -0.805 0.000 0.249 30 G HA3 -0.090 3.605 3.960 -0.442 0.000 0.249 30 G C -1.145 173.207 174.900 -0.914 0.000 1.288 30 G CA 0.315 45.030 45.100 -0.641 0.000 0.887 30 G HN -0.022 7.989 8.290 -0.320 0.087 0.524 31 G N 5.318 113.627 108.800 -0.818 0.000 2.784 31 G HA2 -0.336 3.116 3.960 -1.209 0.000 0.686 31 G HA3 -0.336 3.224 3.960 -0.779 -0.068 0.686 31 G C -2.616 172.163 174.900 -0.201 0.000 1.156 31 G CA -0.498 44.126 45.100 -0.793 0.000 0.757 31 G HN -0.433 7.488 8.290 -0.615 0.000 0.642 32 N N -0.949 117.851 118.700 0.167 0.000 2.745 32 N HA 0.274 5.291 4.740 0.463 0.000 0.256 32 N C -2.699 173.031 175.510 0.367 0.000 1.268 32 N CA -0.578 52.669 53.050 0.329 0.000 0.887 32 N CB 3.541 42.124 38.487 0.161 0.000 1.575 32 N HN 0.037 8.476 8.380 0.099 0.000 0.496 33 L N 0.785 122.131 121.223 0.205 0.000 2.505 33 L HA 0.811 5.536 4.340 0.367 -0.164 0.266 33 L C -2.172 174.775 176.870 0.129 0.000 0.954 33 L CA -0.341 54.637 54.840 0.230 0.000 0.852 33 L CB 4.508 46.647 42.059 0.133 0.000 1.282 33 L HN 0.015 8.295 8.230 0.084 0.000 0.403 34 T N 3.459 118.203 114.554 0.316 0.000 2.886 34 T HA 0.715 5.398 4.350 0.258 -0.179 0.292 34 T C -2.379 172.634 174.700 0.522 0.000 1.012 34 T CA -1.866 60.470 62.100 0.394 0.000 0.982 34 T CB 3.047 72.207 68.868 0.486 0.000 1.018 34 T HN 0.503 9.012 8.240 0.449 0.000 0.451 35 L N 4.656 126.123 121.223 0.407 0.000 2.376 35 L HA 0.755 5.485 4.340 0.376 -0.164 0.275 35 L C -2.444 174.510 176.870 0.141 0.000 0.987 35 L CA -1.343 53.681 54.840 0.306 0.000 0.828 35 L CB 4.028 46.202 42.059 0.192 0.000 1.249 35 L HN 0.537 8.981 8.230 0.357 0.000 0.409 36 R N 6.596 127.063 120.500 -0.055 0.000 2.298 36 R HA 0.230 3.969 4.340 -1.196 -0.117 0.310 36 R C -1.113 174.983 176.300 -0.339 0.000 1.068 36 R CA -0.263 55.459 56.100 -0.629 0.000 0.957 36 R CB 0.911 30.805 30.300 -0.677 0.000 1.003 36 R HN 0.554 8.896 8.270 0.120 0.000 0.454 37 L N 7.038 127.999 121.223 -0.436 0.000 2.335 37 L HA 0.386 4.639 4.340 -0.147 0.000 0.268 37 L C -0.281 176.446 176.870 -0.238 0.000 1.016 37 L CA -1.001 53.668 54.840 -0.285 0.000 0.805 37 L CB 2.572 44.367 42.059 -0.440 0.000 1.311 37 L HN 0.270 8.130 8.230 -0.616 0.000 0.456 38 D N -0.341 119.982 120.400 -0.127 0.000 2.228 38 D HA 0.227 4.803 4.640 -0.106 0.000 0.247 38 D C -0.110 176.150 176.300 -0.066 0.000 0.995 38 D CA -1.078 52.873 54.000 -0.082 0.000 0.903 38 D CB 2.048 42.842 40.800 -0.011 0.000 1.205 38 D HN -0.032 8.644 8.370 -0.083 -0.356 0.459 39 D N 2.346 122.722 120.400 -0.040 0.000 2.172 39 D HA -0.312 4.327 4.640 -0.001 0.000 0.196 39 D C 1.377 177.698 176.300 0.034 0.000 0.999 39 D CA 3.592 57.591 54.000 -0.001 0.000 0.856 39 D CB 0.310 41.114 40.800 0.007 0.000 0.934 39 D HN 0.183 8.526 8.370 -0.045 0.000 0.453 40 A N -2.805 120.038 122.820 0.038 0.000 2.067 40 A HA -0.152 4.206 4.320 0.063 0.000 0.219 40 A C 1.281 178.943 177.584 0.130 0.000 1.158 40 A CA 2.306 54.386 52.037 0.071 0.000 0.661 40 A CB -0.881 18.157 19.000 0.063 0.000 0.801 40 A HN 0.147 8.292 8.150 0.024 0.019 0.452 41 D N -2.428 118.047 120.400 0.124 0.000 2.144 41 D HA -0.162 4.707 4.640 0.382 0.000 0.200 41 D C 1.191 177.649 176.300 0.263 0.000 0.978 41 D CA 2.529 56.651 54.000 0.204 0.000 0.833 41 D CB 0.540 41.319 40.800 -0.035 0.000 0.961 41 D HN -0.348 7.887 8.370 0.067 0.175 0.470 42 I N -8.455 112.207 120.570 0.154 0.000 3.708 42 I HA 0.291 4.795 4.170 0.557 0.000 0.302 42 I C 1.585 177.952 176.117 0.417 0.000 1.255 42 I CA 0.730 62.245 61.300 0.359 0.000 1.362 42 I CB 0.736 38.884 38.000 0.247 0.000 1.100 42 I HN -0.813 7.444 8.210 0.079 0.000 0.434 43 A N 2.096 125.061 122.820 0.242 0.000 1.917 43 A HA -0.201 4.228 4.320 0.182 0.000 0.219 43 A C -1.014 176.658 177.584 0.147 0.000 1.182 43 A CA 5.071 57.203 52.037 0.158 0.000 0.633 43 A CB -3.057 15.982 19.000 0.066 0.000 0.819 43 A HN 0.219 8.484 8.150 0.191 0.000 0.448 44 P HA -0.141 4.251 4.420 -0.047 0.000 0.231 44 P C -0.523 176.520 177.300 -0.428 0.000 1.158 44 P CA 1.800 64.781 63.100 -0.198 0.000 0.763 44 P CB -0.023 31.416 31.700 -0.436 0.000 0.805 45 Y N -5.402 114.833 120.300 -0.108 0.000 2.636 45 Y HA 0.285 4.639 4.550 -0.325 0.000 0.260 45 Y C 1.051 176.397 175.900 -0.923 0.000 1.177 45 Y CA -1.175 56.709 58.100 -0.361 0.000 1.209 45 Y CB -0.529 37.832 38.460 -0.165 0.000 1.166 45 Y HN -0.253 7.861 8.280 0.038 0.189 0.531 46 H N 0.794 119.403 119.070 -0.769 0.000 2.426 46 H HA -0.355 2.887 4.556 -2.191 0.000 0.298 46 H C 1.555 176.479 175.328 -0.674 0.000 1.107 46 H CA 3.008 58.427 56.048 -1.048 0.000 1.298 46 H CB -0.799 28.756 29.762 -0.346 0.000 1.377 46 H HN -0.724 7.332 8.280 -0.249 0.075 0.519 47 D N -2.514 117.500 120.400 -0.643 0.000 2.363 47 D HA -0.113 4.415 4.640 -0.188 0.000 0.226 47 D C -0.053 176.159 176.300 -0.145 0.000 1.020 47 D CA 0.685 54.500 54.000 -0.308 0.000 0.892 47 D CB -0.575 40.056 40.800 -0.282 0.000 0.900 47 D HN 0.257 8.091 8.370 -0.856 0.023 0.531 48 N N -1.751 116.846 118.700 -0.172 0.000 2.412 48 N HA 0.006 4.796 4.740 0.084 0.000 0.184 48 N C -0.274 175.429 175.510 0.323 0.000 1.101 48 N CA 1.139 54.232 53.050 0.071 0.000 0.881 48 N CB 0.760 39.298 38.487 0.086 0.000 0.969 48 N HN -0.306 7.662 8.380 -0.368 0.191 0.459 49 F N -1.912 118.117 119.950 0.132 0.000 2.450 49 F HA -0.030 4.703 4.527 0.161 -0.110 0.339 49 F C 1.379 177.244 175.800 0.108 0.000 1.146 49 F CA -1.398 56.688 58.000 0.144 0.000 1.267 49 F CB 0.158 39.263 39.000 0.174 0.000 1.178 49 F HN -0.830 7.226 8.300 0.024 0.259 0.585 50 H N 2.912 122.205 119.070 0.371 0.000 3.094 50 H HA -0.172 4.486 4.556 0.169 0.000 0.320 50 H C 0.996 176.451 175.328 0.212 0.000 1.000 50 H CA 0.881 57.053 56.048 0.207 0.000 1.413 50 H CB 0.254 30.095 29.762 0.132 0.000 1.405 50 H HN 0.116 8.462 8.280 0.109 0.000 0.586 51 Q N 2.040 122.003 119.800 0.272 0.000 2.124 51 Q HA -0.247 4.208 4.340 0.191 0.000 0.202 51 Q C 0.483 176.583 176.000 0.167 0.000 0.977 51 Q CA 1.914 57.831 55.803 0.190 0.000 0.850 51 Q CB 0.606 29.425 28.738 0.134 0.000 0.901 51 Q HN 0.390 8.817 8.270 0.262 0.000 0.429 52 Q N -0.855 119.042 119.800 0.161 0.000 2.798 52 Q HA 0.356 4.763 4.340 0.113 0.000 0.250 52 Q C -2.937 173.133 176.000 0.117 0.000 1.006 52 Q CA -2.975 52.896 55.803 0.114 0.000 0.759 52 Q CB 0.292 29.074 28.738 0.074 0.000 1.201 52 Q HN -0.520 7.837 8.270 0.181 0.022 0.486 53 P HA -0.050 4.559 4.420 0.169 -0.088 0.264 53 P C -0.389 177.039 177.300 0.213 0.000 1.193 53 P CA -0.080 63.138 63.100 0.197 0.000 0.763 53 P CB 0.642 32.478 31.700 0.226 0.000 0.810 54 R N 4.336 124.903 120.500 0.111 0.000 2.679 54 R HA -0.081 4.307 4.340 0.079 0.000 0.268 54 R C -1.145 175.207 176.300 0.087 0.000 1.044 54 R CA 0.873 57.020 56.100 0.078 0.000 1.105 54 R CB 1.005 31.296 30.300 -0.016 0.000 0.989 54 R HN 0.455 8.747 8.270 0.036 0.000 0.447 55 Y N 3.872 124.079 120.300 -0.155 0.000 2.364 55 Y HA 0.825 5.269 4.550 -0.498 -0.192 0.340 55 Y C -0.925 174.764 175.900 -0.351 0.000 0.975 55 Y CA -1.590 56.282 58.100 -0.381 0.000 1.089 55 Y CB 2.434 40.627 38.460 -0.444 0.000 1.192 55 Y HN 0.150 8.483 8.280 0.089 0.000 0.454 56 I N 7.160 126.997 120.570 -1.222 0.000 2.533 56 I HA 0.446 4.225 4.170 -0.652 0.000 0.290 56 I C -2.570 172.743 176.117 -1.340 0.000 1.056 56 I CA -3.405 57.274 61.300 -1.036 0.000 1.057 56 I CB 3.626 41.162 38.000 -0.772 0.000 1.240 56 I HN 0.549 7.846 8.210 -1.522 0.000 0.423 57 P HA 0.017 4.260 4.420 -0.467 -0.104 0.271 57 P C -0.973 176.148 177.300 -0.299 0.000 1.218 57 P CA -0.657 62.184 63.100 -0.433 0.000 0.780 57 P CB 0.337 31.947 31.700 -0.150 0.000 0.901 58 L N 1.564 122.715 121.223 -0.119 0.000 2.466 58 L HA 0.005 4.387 4.340 0.071 0.000 0.257 58 L C 1.365 178.241 176.870 0.010 0.000 1.189 58 L CA -0.573 54.285 54.840 0.030 0.000 0.813 58 L CB 0.881 43.017 42.059 0.129 0.000 1.118 58 L HN -0.171 7.884 8.230 -0.106 0.112 0.471 59 S N 0.625 116.340 115.700 0.025 0.000 2.423 59 S HA -0.174 4.295 4.470 -0.001 0.000 0.231 59 S C -0.311 174.300 174.600 0.020 0.000 1.014 59 S CA 2.026 60.233 58.200 0.012 0.000 0.965 59 S CB 0.253 63.458 63.200 0.008 0.000 0.785 59 S HN 0.086 8.419 8.310 0.039 0.000 0.495 60 Q N -0.941 118.882 119.800 0.039 0.000 2.575 60 Q HA 0.338 4.697 4.340 0.031 0.000 0.290 60 Q C -3.389 172.646 176.000 0.059 0.000 0.963 60 Q CA -2.835 52.992 55.803 0.040 0.000 0.783 60 Q CB 0.662 29.421 28.738 0.033 0.000 1.467 60 Q HN -0.670 7.603 8.270 0.054 0.030 0.402 61 P HA -0.024 4.593 4.420 0.073 -0.153 0.268 61 P C -1.410 175.933 177.300 0.072 0.000 1.204 61 P CA 0.584 63.722 63.100 0.064 0.000 0.768 61 P CB 0.634 32.364 31.700 0.050 0.000 0.842 62 M N 2.987 122.639 119.600 0.087 0.000 2.693 62 M HA 0.559 5.085 4.480 0.076 0.000 0.224 62 M C -1.538 174.806 176.300 0.073 0.000 1.149 62 M CA -1.924 53.427 55.300 0.086 0.000 0.622 62 M CB 1.006 33.676 32.600 0.117 0.000 1.443 62 M HN 0.423 8.769 8.290 0.093 0.000 0.431 63 P HA -0.126 4.330 4.420 0.060 0.000 0.222 63 P C 1.346 178.673 177.300 0.046 0.000 1.147 63 P CA 2.123 65.255 63.100 0.053 0.000 0.790 63 P CB 0.103 31.830 31.700 0.044 0.000 0.780 64 L N -2.152 119.097 121.223 0.043 0.000 2.265 64 L HA -0.154 4.204 4.340 0.031 0.000 0.215 64 L C 0.437 177.326 176.870 0.031 0.000 1.117 64 L CA 2.138 57.000 54.840 0.036 0.000 0.782 64 L CB -0.283 41.800 42.059 0.040 0.000 0.914 64 L HN -0.256 7.974 8.230 0.047 0.028 0.441 65 L N -4.997 116.249 121.223 0.037 0.000 2.628 65 L HA 0.142 4.493 4.340 0.017 0.000 0.229 65 L C -0.918 175.980 176.870 0.047 0.000 1.137 65 L CA -1.259 53.599 54.840 0.031 0.000 0.909 65 L CB -0.569 41.490 42.059 -0.000 0.000 1.137 65 L HN -0.577 7.639 8.230 0.046 0.041 0.470 66 A N -1.179 121.672 122.820 0.051 0.000 2.567 66 A HA -0.245 4.285 4.320 0.085 -0.159 0.240 66 A C 0.538 178.152 177.584 0.050 0.000 1.053 66 A CA 1.161 53.236 52.037 0.063 0.000 0.755 66 A CB 0.178 19.210 19.000 0.054 0.000 0.978 66 A HN -0.427 7.577 8.150 0.046 0.174 0.507 67 N N -2.520 116.223 118.700 0.071 0.000 2.828 67 N HA -0.431 4.462 4.740 0.079 -0.106 0.248 67 N C -1.377 174.147 175.510 0.023 0.000 1.044 67 N CA 1.900 54.984 53.050 0.056 0.000 0.851 67 N CB -1.877 36.631 38.487 0.035 0.000 1.136 67 N HN 0.183 8.621 8.380 0.097 0.000 0.572 68 T N 2.086 116.649 114.554 0.014 0.000 2.767 68 T HA 0.412 4.684 4.350 -0.129 0.000 0.288 68 T C -2.480 172.173 174.700 -0.079 0.000 0.963 68 T CA -1.119 60.926 62.100 -0.093 0.000 1.019 68 T CB 0.651 69.425 68.868 -0.157 0.000 0.923 68 T HN -0.522 7.697 8.240 0.050 0.051 0.468 69 P HA 0.764 5.396 4.420 0.027 -0.196 0.284 69 P C -1.558 175.542 177.300 -0.334 0.000 1.258 69 P CA -1.135 61.890 63.100 -0.126 0.000 0.824 69 P CB 1.402 33.017 31.700 -0.142 0.000 1.038 70 F N -1.516 118.351 119.950 -0.139 0.000 2.613 70 F HA 0.741 5.342 4.527 -0.156 -0.168 0.314 70 F C -1.299 174.449 175.800 -0.088 0.000 1.075 70 F CA -1.371 56.556 58.000 -0.123 0.000 0.945 70 F CB 5.280 44.249 39.000 -0.053 0.000 1.310 70 F HN 0.522 8.927 8.300 0.176 0.000 0.467 71 I N 1.014 121.661 120.570 0.129 0.000 2.441 71 I HA 0.972 5.410 4.170 0.118 -0.197 0.295 71 I C -2.162 174.039 176.117 0.140 0.000 0.994 71 I CA -2.381 58.984 61.300 0.110 0.000 1.144 71 I CB 3.298 41.336 38.000 0.064 0.000 1.314 71 I HN 0.381 8.659 8.210 0.113 0.000 0.445 72 V N 4.026 123.995 119.914 0.092 0.000 3.078 72 V HA 1.037 5.349 4.120 0.039 -0.169 0.311 72 V C -1.234 174.863 176.094 0.006 0.000 1.138 72 V CA -3.553 58.761 62.300 0.022 0.000 1.007 72 V CB 3.872 35.647 31.823 -0.080 0.000 1.045 72 V HN 0.686 8.935 8.190 0.098 0.000 0.432 73 T N -0.007 114.536 114.554 -0.019 0.000 2.913 73 T HA 0.398 4.887 4.350 0.017 -0.129 0.287 73 T C 0.589 175.287 174.700 -0.004 0.000 1.008 73 T CA -2.140 59.968 62.100 0.013 0.000 1.067 73 T CB 1.172 70.093 68.868 0.088 0.000 0.996 73 T HN -0.129 8.087 8.240 -0.040 0.000 0.513 74 G N 0.259 109.072 108.800 0.021 0.000 2.476 74 G HA2 0.257 4.217 3.960 0.001 0.000 0.286 74 G HA3 0.257 4.327 3.960 -0.021 -0.123 0.286 74 G C -1.425 173.495 174.900 0.033 0.000 1.177 74 G CA -1.941 43.162 45.100 0.005 0.000 0.870 74 G HN -0.100 8.213 8.290 0.038 0.000 0.528 75 S N 1.921 117.631 115.700 0.017 0.000 2.533 75 S HA -0.132 4.370 4.470 0.053 0.000 0.282 75 S C 1.220 175.855 174.600 0.058 0.000 1.304 75 S CA 1.039 59.263 58.200 0.039 0.000 1.063 75 S CB 0.208 63.421 63.200 0.022 0.000 0.881 75 S HN 0.131 8.439 8.310 -0.002 0.000 0.493 76 G N 5.289 114.146 108.800 0.095 0.000 2.189 76 G HA2 -0.253 3.763 3.960 0.093 0.000 0.267 76 G HA3 -0.253 3.800 3.960 0.155 0.000 0.267 76 G C -0.302 174.704 174.900 0.176 0.000 0.975 76 G CA 0.526 45.703 45.100 0.127 0.000 0.644 76 G HN 0.449 8.800 8.290 0.102 0.000 0.537 77 K N -0.170 120.328 120.400 0.164 0.000 2.118 77 K HA 0.186 4.559 4.320 0.088 0.000 0.264 77 K C -0.721 176.116 176.600 0.395 0.000 1.000 77 K CA -1.672 54.722 56.287 0.178 0.000 0.929 77 K CB 0.571 33.133 32.500 0.102 0.000 1.021 77 K HN -0.829 7.428 8.250 0.137 0.075 0.463 78 F N 0.115 120.083 119.950 0.030 0.000 2.410 78 F HA 0.307 5.025 4.527 0.031 -0.172 0.349 78 F C 2.050 177.924 175.800 0.125 0.000 1.117 78 F CA -2.880 55.134 58.000 0.024 0.000 1.104 78 F CB 0.350 39.294 39.000 -0.093 0.000 1.122 78 F HN 0.252 8.717 8.300 0.276 0.000 0.483 79 F N 5.963 125.960 119.950 0.078 0.000 2.154 79 F HA -0.365 4.196 4.527 0.058 0.000 0.301 79 F C 2.134 177.901 175.800 -0.055 0.000 1.087 79 F CA 2.320 60.353 58.000 0.055 0.000 1.274 79 F CB -0.632 38.450 39.000 0.137 0.000 1.009 79 F HN 0.688 9.231 8.300 0.404 0.000 0.485 80 R N -2.429 117.997 120.500 -0.122 0.000 2.127 80 R HA -0.341 3.532 4.340 -0.779 0.000 0.238 80 R C 0.827 176.950 176.300 -0.295 0.000 1.134 80 R CA 2.761 58.467 56.100 -0.657 0.000 0.975 80 R CB -0.424 29.011 30.300 -1.443 0.000 0.865 80 R HN 0.345 8.532 8.270 -0.107 0.019 0.447 81 N N -2.360 116.272 118.700 -0.113 0.000 2.373 81 N HA 0.058 4.727 4.740 -0.118 0.000 0.181 81 N C 1.074 176.548 175.510 -0.060 0.000 1.082 81 N CA 1.045 54.041 53.050 -0.090 0.000 0.885 81 N CB 0.343 38.776 38.487 -0.091 0.000 0.977 81 N HN -0.543 7.674 8.380 -0.025 0.148 0.462 82 V N -0.420 119.471 119.914 -0.038 0.000 2.332 82 V HA -0.452 3.647 4.120 -0.035 0.000 0.248 82 V C 1.292 177.358 176.094 -0.047 0.000 1.055 82 V CA 4.358 66.632 62.300 -0.043 0.000 1.038 82 V CB -0.502 31.278 31.823 -0.071 0.000 0.651 82 V HN -0.740 7.386 8.190 -0.024 0.050 0.450 83 Q N -2.552 117.220 119.800 -0.047 0.000 2.226 83 Q HA -0.222 4.094 4.340 -0.039 0.000 0.204 83 Q C 1.135 177.114 176.000 -0.035 0.000 0.975 83 Q CA 2.430 58.210 55.803 -0.037 0.000 0.866 83 Q CB -0.745 27.980 28.738 -0.022 0.000 0.915 83 Q HN 0.093 8.334 8.270 -0.049 0.000 0.440 84 L N -1.723 119.474 121.223 -0.044 0.000 2.209 84 L HA 0.025 4.347 4.340 -0.030 0.000 0.207 84 L C 0.920 177.765 176.870 -0.042 0.000 1.094 84 L CA 0.850 55.665 54.840 -0.041 0.000 0.790 84 L CB 0.988 43.015 42.059 -0.054 0.000 0.932 84 L HN -0.639 7.406 8.230 -0.053 0.152 0.447 85 D N -3.173 117.198 120.400 -0.049 0.000 2.752 85 D HA 0.356 4.970 4.640 -0.044 0.000 0.242 85 D C -2.127 174.143 176.300 -0.051 0.000 1.295 85 D CA -2.393 51.575 54.000 -0.053 0.000 0.846 85 D CB 0.524 41.283 40.800 -0.068 0.000 1.454 85 D HN -0.678 7.662 8.370 -0.050 0.000 0.535 86 P HA -0.099 4.413 4.420 0.014 -0.084 0.215 86 P C 0.383 177.673 177.300 -0.017 0.000 1.153 86 P CA 1.741 64.861 63.100 0.033 0.000 0.853 86 P CB 0.663 32.417 31.700 0.089 0.000 0.788 87 A N -4.593 118.136 122.820 -0.151 0.000 2.066 87 A HA -0.146 3.508 4.320 -1.110 0.000 0.218 87 A C 1.303 178.650 177.584 -0.394 0.000 1.157 87 A CA 2.153 53.826 52.037 -0.608 0.000 0.670 87 A CB -0.890 17.743 19.000 -0.611 0.000 0.804 87 A HN 0.003 8.111 8.150 -0.071 0.000 0.453 88 A N -3.200 119.496 122.820 -0.207 0.000 1.968 88 A HA 0.021 4.245 4.320 -0.161 0.000 0.217 88 A C 1.025 178.537 177.584 -0.120 0.000 1.169 88 A CA 2.264 54.210 52.037 -0.151 0.000 0.638 88 A CB 0.077 19.008 19.000 -0.115 0.000 0.812 88 A HN -0.507 7.702 8.150 -0.166 -0.159 0.446 89 N N -3.737 114.907 118.700 -0.094 0.000 2.294 89 N HA 0.157 4.875 4.740 -0.037 0.000 0.186 89 N C -1.044 174.455 175.510 -0.019 0.000 1.107 89 N CA 0.934 53.959 53.050 -0.042 0.000 0.884 89 N CB 2.580 41.054 38.487 -0.021 0.000 1.030 89 N HN -0.655 7.630 8.380 -0.101 0.035 0.482 90 L N -2.353 118.855 121.223 -0.024 0.000 2.323 90 L HA 0.859 5.403 4.340 0.040 -0.180 0.265 90 L C -1.348 175.541 176.870 0.031 0.000 1.012 90 L CA -1.648 53.222 54.840 0.050 0.000 0.820 90 L CB 4.071 46.232 42.059 0.170 0.000 1.334 90 L HN -0.163 8.028 8.230 -0.065 0.000 0.427 91 G N -1.280 107.583 108.800 0.105 0.000 2.612 91 G HA2 0.769 4.775 3.960 0.077 0.000 0.298 91 G HA3 0.769 4.970 3.960 0.154 -0.149 0.298 91 G C -2.777 172.265 174.900 0.237 0.000 1.336 91 G CA -1.018 44.172 45.100 0.150 0.000 0.953 91 G HN 0.345 8.691 8.290 0.094 0.000 0.482 92 I N 2.027 122.784 120.570 0.311 0.000 2.321 92 I HA 0.726 5.170 4.170 0.129 -0.196 0.291 92 I C -0.953 175.224 176.117 0.101 0.000 0.998 92 I CA -0.565 60.834 61.300 0.165 0.000 1.227 92 I CB 1.654 39.716 38.000 0.104 0.000 1.368 92 I HN 0.184 8.639 8.210 0.410 0.000 0.466 93 V N 2.462 122.429 119.914 0.088 0.000 2.864 93 V HA 1.075 5.495 4.120 0.154 -0.208 0.314 93 V C -2.221 173.964 176.094 0.152 0.000 1.073 93 V CA -3.615 58.754 62.300 0.115 0.000 0.956 93 V CB 3.640 35.439 31.823 -0.041 0.000 1.023 93 V HN 0.701 8.950 8.190 0.098 0.000 0.435 94 K N 3.585 124.114 120.400 0.215 0.000 2.545 94 K HA 0.387 4.968 4.320 0.177 -0.155 0.252 94 K C -0.984 175.795 176.600 0.298 0.000 0.948 94 K CA -1.675 54.734 56.287 0.203 0.000 0.827 94 K CB 3.104 35.682 32.500 0.129 0.000 1.128 94 K HN 0.186 8.599 8.250 0.272 0.000 0.429 95 V N 8.250 128.328 119.914 0.274 0.000 2.740 95 V HA -0.001 4.487 4.120 0.358 -0.152 0.303 95 V C 0.088 176.326 176.094 0.240 0.000 1.054 95 V CA 0.748 63.218 62.300 0.283 0.000 1.106 95 V CB -0.115 31.840 31.823 0.221 0.000 0.957 95 V HN 0.078 8.415 8.190 0.245 0.000 0.486 96 D N 5.068 125.625 120.400 0.261 0.000 2.414 96 D HA 0.073 4.862 4.640 0.249 0.000 0.251 96 D C 1.498 177.894 176.300 0.159 0.000 1.252 96 D CA -0.614 53.532 54.000 0.243 0.000 0.999 96 D CB 0.803 41.786 40.800 0.304 0.000 1.093 96 D HN 0.236 8.769 8.370 0.272 0.000 0.515 97 S N -3.694 112.080 115.700 0.124 0.000 2.481 97 S HA -0.217 4.426 4.470 0.080 -0.125 0.231 97 S C -0.093 174.553 174.600 0.077 0.000 0.996 97 S CA 2.104 60.355 58.200 0.085 0.000 0.942 97 S CB -0.044 63.194 63.200 0.064 0.000 0.768 97 S HN 0.281 8.669 8.310 0.130 0.000 0.520 98 D N -1.065 119.387 120.400 0.088 0.000 2.349 98 D HA 0.154 4.831 4.640 0.062 0.000 0.214 98 D C 0.338 176.689 176.300 0.085 0.000 1.063 98 D CA 0.087 54.132 54.000 0.075 0.000 0.847 98 D CB 0.597 41.438 40.800 0.068 0.000 0.933 98 D HN -0.777 7.765 8.370 0.104 -0.109 0.513 99 G N -1.378 107.486 108.800 0.106 0.000 2.160 99 G HA2 -0.390 3.732 3.960 0.095 0.000 0.251 99 G HA3 -0.390 3.645 3.960 0.126 0.000 0.251 99 G C -0.114 174.858 174.900 0.120 0.000 1.008 99 G CA 0.886 46.053 45.100 0.112 0.000 0.724 99 G HN -0.409 7.978 8.290 0.116 -0.027 0.514 100 A N -2.073 120.825 122.820 0.130 0.000 2.169 100 A HA 0.161 4.539 4.320 0.095 0.000 0.210 100 A C -1.160 176.482 177.584 0.097 0.000 1.168 100 A CA 0.390 52.496 52.037 0.116 0.000 0.813 100 A CB 1.461 20.533 19.000 0.120 0.000 0.861 100 A HN -0.240 8.432 8.150 0.144 -0.435 0.481 101 G N -4.537 104.323 108.800 0.099 0.000 2.430 101 G HA2 0.498 4.244 3.960 -0.403 0.000 0.300 101 G HA3 0.498 4.424 3.960 -0.248 -0.115 0.300 101 G C -3.234 171.628 174.900 -0.063 0.000 1.330 101 G CA 0.626 45.617 45.100 -0.182 0.000 0.813 101 G HN -0.900 7.610 8.290 0.158 -0.125 0.487 102 Y N -5.921 114.173 120.300 -0.344 0.000 2.588 102 Y HA 0.819 5.545 4.550 0.080 -0.128 0.343 102 Y C -2.162 173.617 175.900 -0.202 0.000 1.065 102 Y CA -2.652 55.395 58.100 -0.089 0.000 1.038 102 Y CB 2.706 41.185 38.460 0.032 0.000 1.297 102 Y HN 0.286 7.767 8.280 -1.331 0.000 0.467 103 H N -0.454 118.775 119.070 0.266 0.000 2.458 103 H HA 0.672 5.556 4.556 0.173 -0.225 0.330 103 H C 0.238 175.705 175.328 0.233 0.000 1.111 103 H CA -1.555 54.624 56.048 0.219 0.000 1.245 103 H CB 2.787 32.667 29.762 0.197 0.000 1.456 103 H HN 0.135 8.691 8.280 0.461 0.000 0.488 104 I N 4.136 124.885 120.570 0.299 0.000 2.294 104 I HA -0.150 4.291 4.170 0.231 -0.132 0.295 104 I C -0.662 175.603 176.117 0.247 0.000 1.098 104 I CA 0.503 61.946 61.300 0.238 0.000 1.277 104 I CB -1.223 36.878 38.000 0.169 0.000 1.434 104 I HN 0.511 8.869 8.210 0.247 0.000 0.498 105 L N 5.571 126.873 121.223 0.132 0.000 2.179 105 L HA -0.093 4.271 4.340 0.041 0.000 0.208 105 L C -0.720 176.200 176.870 0.083 0.000 1.096 105 L CA 2.174 56.983 54.840 -0.052 0.000 0.779 105 L CB 0.568 42.269 42.059 -0.597 0.000 0.922 105 L HN 0.188 8.475 8.230 0.095 0.000 0.443 106 W N -2.869 118.386 121.300 -0.076 0.000 3.372 106 W HA 0.122 4.422 4.660 -0.600 0.000 0.315 106 W C -1.838 174.681 176.519 0.000 0.000 1.223 106 W CA 0.286 57.507 57.345 -0.206 0.000 1.202 106 W CB 2.496 31.892 29.460 -0.106 0.000 1.367 106 W HN -0.666 7.653 8.180 0.232 0.000 0.531 107 G N 5.559 113.798 108.800 -0.935 0.000 2.632 107 G HA2 -0.410 3.089 3.960 -1.017 0.000 0.224 107 G HA3 -0.410 2.926 3.960 -1.194 -0.093 0.224 107 G C -0.473 174.304 174.900 -0.205 0.000 1.341 107 G CA -0.220 44.339 45.100 -0.901 0.000 0.880 107 G HN 0.142 7.666 8.290 -1.278 0.000 0.566 108 L N -2.721 118.378 121.223 -0.206 0.000 3.762 108 L HA -0.519 3.755 4.340 -0.110 0.000 0.460 108 L C -0.167 176.641 176.870 -0.103 0.000 1.255 108 L CA 0.072 54.849 54.840 -0.106 0.000 0.783 108 L CB -2.637 39.396 42.059 -0.045 0.000 1.600 108 L HN 0.093 8.159 8.230 -0.273 0.000 0.862 109 T N -3.427 111.046 114.554 -0.134 0.000 2.748 109 T HA -0.076 4.216 4.350 -0.097 0.000 0.304 109 T C 1.068 175.714 174.700 -0.091 0.000 1.041 109 T CA 0.370 62.407 62.100 -0.104 0.000 1.033 109 T CB 0.933 69.737 68.868 -0.106 0.000 0.995 109 T HN -0.759 7.372 8.240 -0.179 0.001 0.536 110 N N 0.384 119.036 118.700 -0.080 0.000 2.754 110 N HA -0.377 4.327 4.740 -0.061 0.000 0.248 110 N C -0.870 174.602 175.510 -0.064 0.000 1.093 110 N CA 1.023 54.033 53.050 -0.067 0.000 0.699 110 N CB -0.838 37.609 38.487 -0.066 0.000 1.016 110 N HN 0.498 8.831 8.380 -0.079 0.000 0.552 111 E N -8.642 111.515 120.200 -0.071 0.000 3.070 111 E HA -0.429 3.879 4.350 -0.069 0.000 0.285 111 E C -1.194 175.375 176.600 -0.051 0.000 0.972 111 E CA 1.040 57.403 56.400 -0.061 0.000 0.915 111 E CB -2.031 27.640 29.700 -0.048 0.000 1.466 111 E HN 0.198 8.482 8.360 -0.084 0.025 0.432 112 A N -2.173 120.613 122.820 -0.056 0.000 2.386 112 A HA 0.035 4.333 4.320 -0.037 0.000 0.246 112 A C -1.483 176.083 177.584 -0.031 0.000 1.089 112 A CA 0.848 52.859 52.037 -0.044 0.000 0.790 112 A CB 1.262 20.230 19.000 -0.053 0.000 1.042 112 A HN -0.625 7.388 8.150 -0.066 0.097 0.497 113 V N -4.876 115.026 119.914 -0.019 0.000 3.102 113 V HA 0.590 4.716 4.120 0.011 0.000 0.312 113 V C -2.415 173.668 176.094 -0.019 0.000 1.135 113 V CA -4.316 57.982 62.300 -0.003 0.000 1.022 113 V CB 1.445 33.268 31.823 -0.000 0.000 1.056 113 V HN -0.004 8.175 8.190 -0.019 0.000 0.436 114 P HA 0.044 4.398 4.420 -0.109 0.000 0.270 114 P C -0.527 176.715 177.300 -0.096 0.000 1.227 114 P CA 0.209 63.239 63.100 -0.116 0.000 0.788 114 P CB 0.558 32.099 31.700 -0.264 0.000 0.926 115 T N 1.647 116.133 114.554 -0.113 0.000 2.923 115 T HA -0.272 4.125 4.350 -0.010 -0.053 0.309 115 T C 1.777 176.450 174.700 -0.046 0.000 1.059 115 T CA 1.370 63.432 62.100 -0.063 0.000 1.133 115 T CB 0.676 69.484 68.868 -0.101 0.000 1.053 115 T HN -0.100 8.057 8.240 -0.139 0.000 0.530 116 S N 7.003 122.716 115.700 0.022 0.000 2.555 116 S HA -0.128 4.347 4.470 0.009 0.000 0.230 116 S C 0.446 175.089 174.600 0.071 0.000 0.978 116 S CA 2.384 60.606 58.200 0.037 0.000 0.934 116 S CB -0.159 63.078 63.200 0.061 0.000 0.766 116 S HN 0.554 8.890 8.310 0.045 0.000 0.533 117 E N 1.051 121.322 120.200 0.119 0.000 2.368 117 E HA 0.147 4.619 4.350 0.205 0.000 0.188 117 E C 0.097 176.815 176.600 0.196 0.000 1.061 117 E CA -1.537 54.999 56.400 0.228 0.000 0.933 117 E CB -1.183 28.757 29.700 0.401 0.000 1.091 117 E HN -0.542 7.823 8.360 0.105 0.058 0.458 118 L N 2.167 123.379 121.223 -0.019 0.000 2.079 118 L HA -0.154 4.028 4.340 -0.263 0.000 0.210 118 L C -1.630 175.186 176.870 -0.090 0.000 1.081 118 L CA 5.510 60.224 54.840 -0.211 0.000 0.752 118 L CB -2.252 39.550 42.059 -0.428 0.000 0.896 118 L HN -0.534 7.482 8.230 -0.043 0.188 0.433 119 P HA -0.300 4.146 4.420 0.043 0.000 0.214 119 P C 1.043 178.387 177.300 0.074 0.000 1.163 119 P CA 3.241 66.362 63.100 0.035 0.000 0.883 119 P CB -0.883 30.826 31.700 0.014 0.000 0.788 120 A N -3.572 119.293 122.820 0.074 0.000 1.908 120 A HA -0.359 3.916 4.320 -0.075 0.000 0.218 120 A C 1.747 179.346 177.584 0.025 0.000 1.181 120 A CA 2.703 54.728 52.037 -0.019 0.000 0.627 120 A CB -0.828 18.114 19.000 -0.095 0.000 0.818 120 A HN 0.211 8.417 8.150 0.095 0.000 0.445 121 H N -1.400 117.759 119.070 0.149 0.000 2.261 121 H HA -0.316 4.392 4.556 0.252 0.000 0.301 121 H C 2.759 178.338 175.328 0.418 0.000 1.067 121 H CA 5.134 61.337 56.048 0.258 0.000 1.297 121 H CB 0.387 30.286 29.762 0.230 0.000 1.377 121 H HN -0.468 8.037 8.280 0.375 0.000 0.492 122 F N -1.707 118.360 119.950 0.194 0.000 2.186 122 F HA -0.287 4.348 4.527 0.180 0.000 0.299 122 F C 2.536 178.409 175.800 0.122 0.000 1.090 122 F CA 2.785 60.848 58.000 0.105 0.000 1.307 122 F CB 0.298 39.249 39.000 -0.082 0.000 1.019 122 F HN 0.152 8.699 8.300 0.412 0.000 0.489 123 L N -2.358 119.016 121.223 0.252 0.000 2.093 123 L HA -0.401 4.021 4.340 0.137 0.000 0.208 123 L C 1.997 178.926 176.870 0.100 0.000 1.085 123 L CA 3.256 58.177 54.840 0.136 0.000 0.755 123 L CB -0.563 41.538 42.059 0.071 0.000 0.904 123 L HN 0.083 8.457 8.230 0.240 0.000 0.435 124 S N -1.476 114.266 115.700 0.071 0.000 2.383 124 S HA -0.351 4.112 4.470 -0.011 0.000 0.227 124 S C 1.696 176.319 174.600 0.037 0.000 1.026 124 S CA 4.022 62.222 58.200 0.001 0.000 0.981 124 S CB -0.292 62.850 63.200 -0.097 0.000 0.818 124 S HN -0.564 7.794 8.310 0.080 0.000 0.472 125 H N 2.591 121.740 119.070 0.132 0.000 2.352 125 H HA -0.299 4.343 4.556 0.144 0.000 0.299 125 H C 2.117 177.501 175.328 0.095 0.000 1.097 125 H CA 4.443 60.579 56.048 0.146 0.000 1.311 125 H CB -0.125 29.771 29.762 0.224 0.000 1.377 125 H HN -0.071 8.345 8.280 0.226 0.000 0.504 126 C N -0.838 118.583 119.300 0.202 0.000 2.413 126 C HA -0.353 4.176 4.460 0.115 0.000 0.276 126 C C 2.299 177.337 174.990 0.081 0.000 1.236 126 C CA 4.633 63.722 59.018 0.118 0.000 1.735 126 C CB -1.655 26.141 27.740 0.094 0.000 2.031 126 C HN -0.052 8.309 8.230 0.219 0.000 0.474 127 E N -1.372 118.866 120.200 0.063 0.000 2.150 127 E HA -0.241 4.128 4.350 0.032 0.000 0.193 127 E C 2.816 179.436 176.600 0.034 0.000 0.985 127 E CA 2.766 59.187 56.400 0.035 0.000 0.814 127 E CB -0.860 28.849 29.700 0.014 0.000 0.752 127 E HN -0.492 7.909 8.360 0.068 0.000 0.466 128 R N -1.401 119.125 120.500 0.043 0.000 2.115 128 R HA -0.135 4.222 4.340 0.029 0.000 0.226 128 R C 2.579 178.913 176.300 0.058 0.000 1.100 128 R CA 1.202 57.327 56.100 0.042 0.000 0.980 128 R CB -0.540 29.779 30.300 0.032 0.000 0.875 128 R HN -0.061 8.238 8.270 0.049 0.000 0.445 129 I N 0.438 121.055 120.570 0.079 0.000 2.163 129 I HA -0.479 3.730 4.170 0.065 0.000 0.243 129 I C 2.281 178.424 176.117 0.043 0.000 1.085 129 I CA 4.394 65.733 61.300 0.065 0.000 1.347 129 I CB -0.292 37.750 38.000 0.070 0.000 1.044 129 I HN 0.269 8.538 8.210 0.098 0.000 0.408 130 K N -1.132 119.291 120.400 0.038 0.000 2.025 130 K HA -0.319 4.016 4.320 0.025 0.000 0.207 130 K C 2.903 179.515 176.600 0.021 0.000 1.049 130 K CA 3.365 59.668 56.287 0.026 0.000 0.933 130 K CB -0.315 32.199 32.500 0.023 0.000 0.714 130 K HN -0.645 7.632 8.250 0.044 0.000 0.438 131 A N -3.161 119.671 122.820 0.020 0.000 2.015 131 A HA -0.110 4.215 4.320 0.009 0.000 0.219 131 A C 0.773 178.368 177.584 0.019 0.000 1.163 131 A CA 2.201 54.246 52.037 0.014 0.000 0.646 131 A CB -0.029 18.975 19.000 0.007 0.000 0.806 131 A HN -0.164 8.000 8.150 0.024 0.000 0.448 132 T N -7.936 106.634 114.554 0.027 0.000 3.132 132 T HA 0.023 4.390 4.350 0.027 0.000 0.274 132 T C -0.670 174.047 174.700 0.028 0.000 1.011 132 T CA -1.955 60.163 62.100 0.030 0.000 0.899 132 T CB 0.246 69.137 68.868 0.039 0.000 1.089 132 T HN -0.557 7.658 8.240 0.030 0.044 0.543 133 N N -0.248 118.466 118.700 0.024 0.000 2.714 133 N HA -0.421 4.330 4.740 0.019 0.000 0.252 133 N C 0.189 175.712 175.510 0.021 0.000 1.014 133 N CA 1.479 54.542 53.050 0.020 0.000 0.735 133 N CB -2.379 36.117 38.487 0.016 0.000 0.924 133 N HN -0.536 7.858 8.380 0.023 0.000 0.540 134 G N -5.264 103.553 108.800 0.028 0.000 2.179 134 G HA2 -0.444 3.526 3.960 0.018 0.000 0.260 134 G HA3 -0.444 3.534 3.960 0.031 0.000 0.260 134 G C 0.056 174.975 174.900 0.031 0.000 0.977 134 G CA 0.485 45.601 45.100 0.027 0.000 0.641 134 G HN 0.351 8.642 8.290 0.032 0.018 0.533 135 K N 0.944 121.366 120.400 0.036 0.000 2.062 135 K HA -0.158 4.181 4.320 0.032 0.000 0.205 135 K C -0.114 176.520 176.600 0.057 0.000 1.051 135 K CA 2.150 58.460 56.287 0.039 0.000 0.941 135 K CB 0.449 32.971 32.500 0.036 0.000 0.719 135 K HN -0.573 7.534 8.250 0.035 0.164 0.440 136 D N -1.219 119.222 120.400 0.069 0.000 2.382 136 D HA -0.031 4.762 4.640 0.091 -0.099 0.245 136 D C -0.601 175.780 176.300 0.136 0.000 1.120 136 D CA 2.040 56.096 54.000 0.093 0.000 0.890 136 D CB 0.358 41.206 40.800 0.081 0.000 1.201 136 D HN -0.620 7.788 8.370 0.063 0.000 0.433 137 R N 0.350 120.953 120.500 0.171 0.000 2.539 137 R HA 0.231 4.716 4.340 0.242 0.000 0.342 137 R C -1.653 174.872 176.300 0.375 0.000 0.941 137 R CA -0.124 56.113 56.100 0.228 0.000 1.146 137 R CB 2.965 33.351 30.300 0.143 0.000 1.541 137 R HN 0.406 8.769 8.270 0.155 0.000 0.525 138 V N 0.054 120.151 119.914 0.306 0.000 2.709 138 V HA 0.775 5.353 4.120 0.455 -0.184 0.308 138 V C -2.005 174.159 176.094 0.117 0.000 1.062 138 V CA -1.732 60.752 62.300 0.308 0.000 0.901 138 V CB 3.903 35.864 31.823 0.230 0.000 1.003 138 V HN -0.395 7.924 8.190 0.215 0.000 0.425 139 I N 5.758 126.398 120.570 0.118 0.000 2.436 139 I HA 0.671 5.010 4.170 -0.046 -0.197 0.289 139 I C -1.817 174.387 176.117 0.146 0.000 1.010 139 I CA -1.935 59.363 61.300 -0.004 0.000 1.098 139 I CB 2.396 40.276 38.000 -0.199 0.000 1.266 139 I HN 0.340 8.746 8.210 0.327 0.000 0.434 140 M N 7.970 127.581 119.600 0.017 0.000 2.321 140 M HA 0.515 5.218 4.480 0.163 -0.125 0.315 140 M C -2.696 173.435 176.300 -0.283 0.000 1.052 140 M CA -1.339 53.974 55.300 0.021 0.000 0.936 140 M CB 3.913 36.556 32.600 0.071 0.000 1.639 140 M HN 0.508 8.778 8.290 -0.033 0.000 0.433 141 H N 8.180 126.957 119.070 -0.487 0.000 2.489 141 H HA 1.001 5.127 4.556 -1.084 -0.221 0.343 141 H C -1.502 173.581 175.328 -0.408 0.000 1.086 141 H CA -1.433 54.072 56.048 -0.905 0.000 1.198 141 H CB 3.286 32.129 29.762 -1.531 0.000 1.490 141 H HN 0.383 8.635 8.280 -0.047 0.000 0.504 142 C N 4.649 123.455 119.300 -0.824 0.000 3.236 142 C HA 0.570 4.671 4.460 -0.799 -0.120 0.312 142 C C -1.200 173.508 174.990 -0.469 0.000 1.374 142 C CA -2.027 56.606 59.018 -0.642 0.000 1.455 142 C CB 4.086 31.694 27.740 -0.221 0.000 1.834 142 C HN 0.296 8.089 8.230 -0.727 0.000 0.460 143 H N 0.323 119.169 119.070 -0.374 0.000 2.508 143 H HA 0.253 4.707 4.556 -0.169 0.000 0.224 143 H C -0.395 174.828 175.328 -0.174 0.000 1.723 143 H CA -1.909 54.026 56.048 -0.188 0.000 1.251 143 H CB -0.867 28.856 29.762 -0.064 0.000 1.627 143 H HN 0.185 8.318 8.280 -0.244 0.000 0.543 144 A N 3.189 125.832 122.820 -0.295 0.000 2.484 144 A HA -0.018 3.710 4.320 -0.987 0.000 0.268 144 A C 0.177 177.635 177.584 -0.209 0.000 1.114 144 A CA -0.157 51.506 52.037 -0.623 0.000 0.780 144 A CB 0.224 18.702 19.000 -0.869 0.000 1.061 144 A HN -0.569 7.338 8.150 -0.318 0.052 0.505 145 T N 6.981 121.517 114.554 -0.031 0.000 2.652 145 T HA -0.460 3.945 4.350 0.092 0.000 0.267 145 T C 1.941 176.685 174.700 0.074 0.000 1.039 145 T CA 5.218 67.367 62.100 0.081 0.000 1.153 145 T CB -0.034 68.922 68.868 0.146 0.000 0.863 145 T HN 0.443 8.695 8.240 0.020 0.000 0.428 146 N N 1.438 120.174 118.700 0.061 0.000 2.188 146 N HA -0.197 4.600 4.740 0.094 0.000 0.184 146 N C 2.130 177.697 175.510 0.096 0.000 1.018 146 N CA 3.153 56.250 53.050 0.077 0.000 0.858 146 N CB 0.102 38.629 38.487 0.066 0.000 0.989 146 N HN -0.388 8.436 8.380 0.057 -0.410 0.426 147 L N 0.137 121.384 121.223 0.040 0.000 2.042 147 L HA -0.403 4.040 4.340 0.173 0.000 0.210 147 L C 2.061 179.013 176.870 0.137 0.000 1.076 147 L CA 3.402 58.290 54.840 0.080 0.000 0.749 147 L CB -0.259 41.760 42.059 -0.067 0.000 0.893 147 L HN -0.186 8.349 8.230 -0.026 -0.320 0.432 148 I N -1.784 118.853 120.570 0.111 0.000 2.127 148 I HA -0.545 3.724 4.170 0.164 0.000 0.241 148 I C 2.542 178.884 176.117 0.374 0.000 1.075 148 I CA 3.771 65.195 61.300 0.207 0.000 1.334 148 I CB -0.238 37.884 38.000 0.203 0.000 1.040 148 I HN -0.311 7.935 8.210 0.060 0.000 0.405 149 A N -0.199 122.809 122.820 0.313 0.000 1.908 149 A HA -0.323 4.245 4.320 0.413 0.000 0.218 149 A C 2.255 180.077 177.584 0.397 0.000 1.181 149 A CA 3.014 55.257 52.037 0.342 0.000 0.627 149 A CB -0.721 18.384 19.000 0.175 0.000 0.818 149 A HN -0.368 7.917 8.150 0.224 0.000 0.445 150 L N -4.255 117.153 121.223 0.310 0.000 2.191 150 L HA -0.298 4.176 4.340 0.223 0.000 0.212 150 L C 1.509 178.580 176.870 0.335 0.000 1.103 150 L CA 2.467 57.469 54.840 0.270 0.000 0.769 150 L CB -0.575 41.601 42.059 0.196 0.000 0.908 150 L HN -0.027 8.357 8.230 0.276 0.012 0.438 151 T N -2.881 111.895 114.554 0.370 0.000 3.051 151 T HA -0.298 4.273 4.350 0.369 0.000 0.269 151 T C 0.784 175.571 174.700 0.144 0.000 1.127 151 T CA 2.702 64.921 62.100 0.199 0.000 1.107 151 T CB -0.180 68.599 68.868 -0.148 0.000 0.898 151 T HN -0.321 8.004 8.240 0.355 0.128 0.517 152 Y N -1.311 119.183 120.300 0.324 0.000 2.523 152 Y HA -0.063 4.748 4.550 0.434 0.000 0.279 152 Y C 0.929 176.922 175.900 0.155 0.000 1.139 152 Y CA 1.202 59.479 58.100 0.294 0.000 1.296 152 Y CB 0.421 38.993 38.460 0.186 0.000 1.045 152 Y HN -0.642 7.919 8.280 0.545 0.046 0.538 153 V N -6.342 113.711 119.914 0.232 0.000 3.431 153 V HA 0.244 4.414 4.120 0.083 0.000 0.255 153 V C -0.175 175.904 176.094 -0.025 0.000 1.403 153 V CA 0.599 62.949 62.300 0.084 0.000 1.101 153 V CB 2.494 34.343 31.823 0.044 0.000 0.891 153 V HN -0.569 7.605 8.190 0.244 0.163 0.446 154 L N 0.495 121.694 121.223 -0.039 0.000 2.379 154 L HA 0.138 4.376 4.340 -0.170 0.000 0.269 154 L C -0.392 176.474 176.870 -0.006 0.000 1.084 154 L CA -0.813 53.946 54.840 -0.135 0.000 0.802 154 L CB 1.004 42.812 42.059 -0.418 0.000 1.175 154 L HN -0.421 7.821 8.230 0.021 0.000 0.448 155 E N -0.107 120.080 120.200 -0.022 0.000 2.465 155 E HA -0.207 4.165 4.350 0.036 0.000 0.260 155 E C -0.209 176.462 176.600 0.120 0.000 0.980 155 E CA 0.658 57.078 56.400 0.034 0.000 0.927 155 E CB 0.442 30.146 29.700 0.006 0.000 0.934 155 E HN 0.187 8.506 8.360 -0.069 0.000 0.459 156 N N 4.495 123.252 118.700 0.095 0.000 3.050 156 N HA -0.063 4.782 4.740 0.176 0.000 0.289 156 N C -1.745 173.777 175.510 0.021 0.000 1.209 156 N CA -0.109 52.986 53.050 0.075 0.000 1.154 156 N CB 0.180 38.649 38.487 -0.030 0.000 1.444 156 N HN 0.206 8.625 8.380 0.065 0.000 0.529 157 D N 1.003 121.441 120.400 0.063 0.000 2.863 157 D HA 0.231 4.861 4.640 -0.017 0.000 0.245 157 D C -0.008 176.294 176.300 0.003 0.000 1.211 157 D CA -0.676 53.331 54.000 0.012 0.000 0.888 157 D CB 3.314 44.123 40.800 0.016 0.000 1.483 157 D HN -0.487 7.887 8.370 0.152 0.087 0.533 158 T N 6.983 121.500 114.554 -0.061 0.000 2.684 158 T HA -0.379 3.972 4.350 -0.156 -0.095 0.267 158 T C 1.674 176.322 174.700 -0.088 0.000 1.036 158 T CA 3.911 65.939 62.100 -0.119 0.000 1.148 158 T CB 0.280 69.044 68.868 -0.174 0.000 0.863 158 T HN 0.461 8.662 8.240 -0.064 0.000 0.436 159 A N 0.348 123.134 122.820 -0.057 0.000 1.877 159 A HA -0.247 4.001 4.320 -0.119 0.000 0.216 159 A C 1.929 179.462 177.584 -0.085 0.000 1.186 159 A CA 2.881 54.872 52.037 -0.077 0.000 0.620 159 A CB -0.931 18.051 19.000 -0.031 0.000 0.822 159 A HN -0.507 7.706 8.150 -0.037 -0.085 0.443 160 V N -1.036 118.859 119.914 -0.032 0.000 2.295 160 V HA -0.428 3.665 4.120 -0.044 0.000 0.246 160 V C 1.947 178.021 176.094 -0.033 0.000 1.049 160 V CA 4.157 66.438 62.300 -0.031 0.000 1.024 160 V CB -0.745 31.068 31.823 -0.017 0.000 0.648 160 V HN -0.497 7.972 8.190 -0.016 -0.289 0.447 161 F N 0.036 119.915 119.950 -0.118 0.000 2.146 161 F HA -0.383 4.106 4.527 -0.064 0.000 0.298 161 F C 2.020 177.723 175.800 -0.162 0.000 1.096 161 F CA 4.060 61.993 58.000 -0.111 0.000 1.275 161 F CB -0.039 38.886 39.000 -0.124 0.000 1.008 161 F HN 0.188 8.577 8.300 0.149 0.000 0.480 162 T N 1.534 116.060 114.554 -0.045 0.000 2.684 162 T HA -0.469 3.762 4.350 -0.199 0.000 0.267 162 T C 1.948 176.306 174.700 -0.570 0.000 1.036 162 T CA 4.940 66.828 62.100 -0.352 0.000 1.148 162 T CB -0.372 68.146 68.868 -0.583 0.000 0.863 162 T HN -0.081 8.131 8.240 -0.047 0.000 0.436 163 R N 0.964 121.219 120.500 -0.409 0.000 2.081 163 R HA -0.309 3.884 4.340 -0.244 0.000 0.235 163 R C 2.311 178.606 176.300 -0.008 0.000 1.131 163 R CA 2.694 58.674 56.100 -0.199 0.000 0.960 163 R CB -0.743 29.510 30.300 -0.077 0.000 0.856 163 R HN -0.394 7.686 8.270 -0.317 0.000 0.436 164 Q N -1.215 118.569 119.800 -0.027 0.000 2.084 164 Q HA -0.259 4.116 4.340 0.059 0.000 0.202 164 Q C 2.495 178.536 176.000 0.069 0.000 0.978 164 Q CA 2.561 58.378 55.803 0.023 0.000 0.844 164 Q CB -0.429 28.292 28.738 -0.029 0.000 0.898 164 Q HN -0.507 7.721 8.270 -0.069 0.000 0.426 165 L N -0.932 120.348 121.223 0.095 0.000 2.046 165 L HA -0.237 4.217 4.340 0.189 0.000 0.208 165 L C 3.167 180.219 176.870 0.304 0.000 1.077 165 L CA 2.722 57.702 54.840 0.232 0.000 0.747 165 L CB -0.218 42.067 42.059 0.378 0.000 0.896 165 L HN -0.373 7.889 8.230 0.054 0.000 0.432 166 W N -1.342 120.010 121.300 0.087 0.000 2.338 166 W HA -0.244 4.324 4.660 -0.154 0.000 0.304 166 W C 2.978 179.478 176.519 -0.033 0.000 1.212 166 W CA 1.203 58.520 57.345 -0.046 0.000 1.264 166 W CB -1.272 28.163 29.460 -0.041 0.000 1.142 166 W HN 0.217 8.528 8.180 0.218 0.000 0.512 167 E N -2.201 118.141 120.200 0.237 0.000 2.204 167 E HA -0.234 4.189 4.350 0.122 0.000 0.194 167 E C 2.414 179.059 176.600 0.075 0.000 0.989 167 E CA 2.145 58.623 56.400 0.131 0.000 0.824 167 E CB -0.239 29.526 29.700 0.109 0.000 0.756 167 E HN -0.524 7.889 8.360 0.246 0.095 0.477 168 G N -3.817 105.028 108.800 0.074 0.000 2.848 168 G HA2 -0.041 3.932 3.960 0.022 0.000 0.208 168 G HA3 -0.041 3.919 3.960 -0.001 0.000 0.208 168 G C -1.311 173.610 174.900 0.035 0.000 1.152 168 G CA 0.045 45.163 45.100 0.029 0.000 0.789 168 G HN -0.511 7.701 8.290 0.108 0.143 0.531 169 S N -2.457 113.269 115.700 0.044 0.000 2.560 169 S HA 0.171 4.648 4.470 0.011 0.000 0.283 169 S C -1.041 173.549 174.600 -0.017 0.000 1.141 169 S CA -0.908 57.303 58.200 0.018 0.000 0.902 169 S CB 2.292 65.510 63.200 0.031 0.000 1.104 169 S HN -0.883 7.421 8.310 0.060 0.042 0.454 170 T N 4.875 119.408 114.554 -0.034 0.000 2.759 170 T HA -0.354 3.958 4.350 -0.064 0.000 0.269 170 T C 1.499 176.112 174.700 -0.145 0.000 1.042 170 T CA 4.228 66.285 62.100 -0.070 0.000 1.140 170 T CB 0.131 68.970 68.868 -0.048 0.000 0.864 170 T HN 0.501 8.728 8.240 -0.022 0.000 0.455 171 E N 0.846 120.959 120.200 -0.146 0.000 2.265 171 E HA -0.232 3.944 4.350 -0.289 0.000 0.196 171 E C 1.645 178.069 176.600 -0.292 0.000 0.996 171 E CA 2.193 58.461 56.400 -0.221 0.000 0.832 171 E CB -0.867 28.747 29.700 -0.143 0.000 0.756 171 E HN 0.305 8.605 8.360 -0.100 0.000 0.491 172 C N -0.408 118.718 119.300 -0.290 0.000 2.429 172 C HA -0.238 3.869 4.460 -0.589 0.000 0.277 172 C C 1.940 176.421 174.990 -0.848 0.000 1.262 172 C CA 4.361 63.031 59.018 -0.581 0.000 1.733 172 C CB -1.713 25.812 27.740 -0.360 0.000 2.010 172 C HN -0.097 7.956 8.230 -0.198 0.058 0.483 173 L N -0.995 119.774 121.223 -0.758 0.000 2.131 173 L HA -0.287 3.121 4.340 -1.553 0.000 0.210 173 L C 1.083 177.588 176.870 -0.609 0.000 1.092 173 L CA 3.139 57.316 54.840 -1.105 0.000 0.759 173 L CB 0.050 41.381 42.059 -1.213 0.000 0.903 173 L HN -0.280 7.597 8.230 -0.588 0.000 0.435 174 V N -2.195 117.438 119.914 -0.468 0.000 2.453 174 V HA -0.368 3.586 4.120 -0.277 0.000 0.247 174 V C 1.721 177.683 176.094 -0.219 0.000 1.048 174 V CA 3.312 65.404 62.300 -0.347 0.000 1.049 174 V CB -0.503 30.996 31.823 -0.540 0.000 0.672 174 V HN -0.642 7.236 8.190 -0.487 0.020 0.457 175 V N -0.209 119.574 119.914 -0.218 0.000 2.488 175 V HA -0.237 3.882 4.120 -0.003 0.000 0.246 175 V C 0.406 176.598 176.094 0.163 0.000 1.046 175 V CA 3.048 65.334 62.300 -0.022 0.000 1.053 175 V CB 0.700 32.551 31.823 0.047 0.000 0.679 175 V HN -0.486 7.514 8.190 -0.318 0.000 0.458 176 F N -7.405 112.604 119.950 0.100 0.000 2.646 176 F HA 0.645 5.255 4.527 0.138 0.000 0.336 176 F C -2.086 173.902 175.800 0.314 0.000 1.437 176 F CA -3.503 54.608 58.000 0.184 0.000 1.142 176 F CB -0.641 38.471 39.000 0.188 0.000 1.530 176 F HN -0.119 7.996 8.300 -0.309 0.000 0.591 177 P HA -0.120 4.410 4.420 0.079 -0.062 0.220 177 P C -0.002 177.557 177.300 0.433 0.000 1.148 177 P CA 1.985 65.204 63.100 0.199 0.000 0.803 177 P CB 0.372 32.091 31.700 0.032 0.000 0.782 178 D N -3.776 116.849 120.400 0.374 0.000 2.355 178 D HA -0.070 4.743 4.640 0.289 0.000 0.218 178 D C 0.748 177.331 176.300 0.471 0.000 1.004 178 D CA 0.732 54.932 54.000 0.334 0.000 0.880 178 D CB -0.244 40.679 40.800 0.205 0.000 0.911 178 D HN 0.171 8.705 8.370 0.336 0.038 0.528 179 G N -2.194 106.934 108.800 0.546 0.000 2.725 179 G HA2 -0.358 3.724 3.960 0.203 0.000 0.220 179 G HA3 -0.358 3.829 3.960 0.378 0.000 0.220 179 G C -2.118 172.859 174.900 0.128 0.000 1.357 179 G CA -0.509 44.795 45.100 0.340 0.000 0.866 179 G HN -0.429 8.082 8.290 0.659 0.174 0.548 180 V N 0.537 120.341 119.914 -0.183 0.000 2.378 180 V HA 0.250 4.318 4.120 -0.332 -0.147 0.288 180 V C 0.296 176.009 176.094 -0.635 0.000 1.016 180 V CA -1.731 60.344 62.300 -0.376 0.000 0.840 180 V CB 0.864 32.469 31.823 -0.362 0.000 0.994 180 V HN -0.060 8.015 8.190 -0.192 0.000 0.431 181 G N 6.940 115.271 108.800 -0.782 0.000 2.467 181 G HA2 0.437 4.363 3.960 -0.516 0.000 0.257 181 G HA3 0.437 3.909 3.960 -0.797 0.010 0.257 181 G C -2.880 171.795 174.900 -0.375 0.000 1.227 181 G CA -0.944 43.753 45.100 -0.672 0.000 0.835 181 G HN 0.525 8.453 8.290 -0.602 0.000 0.556 182 I N 2.666 123.063 120.570 -0.288 0.000 2.569 182 I HA 0.614 4.788 4.170 -0.253 -0.156 0.290 182 I C -1.630 174.382 176.117 -0.176 0.000 1.088 182 I CA -1.304 59.841 61.300 -0.259 0.000 1.047 182 I CB 3.057 40.852 38.000 -0.341 0.000 1.237 182 I HN -0.583 7.472 8.210 -0.258 0.000 0.421 183 L N 8.637 129.767 121.223 -0.155 0.000 2.439 183 L HA 0.347 4.603 4.340 -0.140 0.000 0.259 183 L C -1.949 174.818 176.870 -0.172 0.000 1.129 183 L CA -2.089 52.654 54.840 -0.163 0.000 0.803 183 L CB -0.241 41.688 42.059 -0.217 0.000 1.161 183 L HN -0.214 7.932 8.230 -0.140 0.000 0.462 184 P HA -0.046 4.334 4.420 -0.066 0.000 0.272 184 P C -1.202 176.030 177.300 -0.115 0.000 1.230 184 P CA -0.785 62.263 63.100 -0.087 0.000 0.788 184 P CB 0.667 32.340 31.700 -0.044 0.000 0.949 185 W N 1.195 122.384 121.300 -0.185 0.000 2.314 185 W HA -0.184 4.348 4.660 -0.214 0.000 0.339 185 W C -1.111 175.308 176.519 -0.166 0.000 1.293 185 W CA 1.439 58.694 57.345 -0.150 0.000 1.288 185 W CB 0.269 29.761 29.460 0.052 0.000 1.186 185 W HN -0.012 8.262 8.180 0.157 0.000 0.566 186 M N 7.856 126.805 119.600 -1.086 0.000 2.531 186 M HA 0.129 4.234 4.480 -0.624 0.000 0.286 186 M C -1.544 173.806 176.300 -1.583 0.000 1.232 186 M CA -1.410 53.274 55.300 -1.025 0.000 0.877 186 M CB 4.089 36.255 32.600 -0.724 0.000 1.726 186 M HN -0.023 7.400 8.290 -1.446 0.000 0.463 187 V N 3.201 122.533 119.914 -0.969 0.000 2.540 187 V HA -0.030 3.666 4.120 -0.707 0.000 0.297 187 V C -1.289 174.503 176.094 -0.502 0.000 1.024 187 V CA -1.919 60.010 62.300 -0.619 0.000 1.105 187 V CB -0.640 31.068 31.823 -0.192 0.000 0.938 187 V HN 0.342 8.157 8.190 -0.625 0.000 0.482 188 P HA -0.054 4.114 4.420 -0.420 0.000 0.274 188 P C -0.087 177.171 177.300 -0.071 0.000 1.246 188 P CA -0.369 62.609 63.100 -0.204 0.000 0.795 188 P CB 0.725 32.503 31.700 0.130 0.000 1.006 189 G N -0.424 108.380 108.800 0.007 0.000 2.160 189 G HA2 -0.303 3.691 3.960 0.057 0.000 0.251 189 G HA3 -0.303 3.939 3.960 0.089 -0.229 0.251 189 G C -0.420 174.472 174.900 -0.013 0.000 1.008 189 G CA 0.569 45.694 45.100 0.043 0.000 0.724 189 G HN -0.142 8.474 8.290 0.033 -0.306 0.514 190 T N -4.930 109.582 114.554 -0.071 0.000 2.950 190 T HA 0.216 4.534 4.350 -0.053 0.000 0.288 190 T C -0.178 174.476 174.700 -0.077 0.000 1.035 190 T CA -1.913 60.139 62.100 -0.081 0.000 1.028 190 T CB 2.964 71.758 68.868 -0.123 0.000 1.109 190 T HN -0.703 7.437 8.240 -0.109 0.035 0.514 191 D N 2.275 122.639 120.400 -0.059 0.000 2.277 191 D HA -0.218 4.395 4.640 -0.044 0.000 0.208 191 D C 1.640 177.890 176.300 -0.083 0.000 0.962 191 D CA 4.079 58.048 54.000 -0.052 0.000 0.865 191 D CB -0.380 40.402 40.800 -0.030 0.000 0.939 191 D HN 0.524 8.863 8.370 -0.051 0.000 0.510 192 A N 0.881 123.638 122.820 -0.105 0.000 1.865 192 A HA -0.234 4.022 4.320 -0.107 0.000 0.217 192 A C 1.877 179.346 177.584 -0.192 0.000 1.191 192 A CA 3.037 54.995 52.037 -0.132 0.000 0.623 192 A CB -0.416 18.502 19.000 -0.137 0.000 0.826 192 A HN -0.004 8.086 8.150 -0.099 0.000 0.444 193 I N -2.296 118.112 120.570 -0.270 0.000 2.394 193 I HA -0.270 3.641 4.170 -0.432 0.000 0.251 193 I C 1.673 177.630 176.117 -0.266 0.000 1.136 193 I CA 2.318 63.373 61.300 -0.408 0.000 1.425 193 I CB 0.020 37.592 38.000 -0.714 0.000 1.079 193 I HN -0.304 7.752 8.210 -0.257 0.000 0.425 194 G N -0.770 107.938 108.800 -0.154 0.000 2.402 194 G HA2 -0.393 3.577 3.960 -0.054 0.000 0.216 194 G HA3 -0.393 3.512 3.960 -0.093 0.000 0.216 194 G C 1.003 175.846 174.900 -0.095 0.000 1.162 194 G CA 2.135 47.180 45.100 -0.092 0.000 0.777 194 G HN -0.348 7.769 8.290 -0.146 0.085 0.539 195 Q N 2.284 122.034 119.800 -0.084 0.000 2.119 195 Q HA -0.256 4.056 4.340 -0.047 0.000 0.201 195 Q C 2.126 178.076 176.000 -0.084 0.000 0.972 195 Q CA 2.314 58.078 55.803 -0.066 0.000 0.847 195 Q CB -0.416 28.291 28.738 -0.052 0.000 0.903 195 Q HN 0.207 8.424 8.270 -0.088 0.000 0.433 196 A N -1.369 121.380 122.820 -0.120 0.000 1.933 196 A HA -0.184 4.076 4.320 -0.099 0.000 0.218 196 A C 2.012 179.529 177.584 -0.111 0.000 1.175 196 A CA 3.095 55.058 52.037 -0.125 0.000 0.628 196 A CB -0.712 18.181 19.000 -0.178 0.000 0.814 196 A HN -0.072 7.996 8.150 -0.137 0.000 0.444 197 T N 1.197 115.673 114.554 -0.129 0.000 2.708 197 T HA -0.441 3.852 4.350 -0.094 0.000 0.266 197 T C 1.734 176.359 174.700 -0.125 0.000 1.037 197 T CA 5.126 67.144 62.100 -0.137 0.000 1.146 197 T CB -0.344 68.367 68.868 -0.262 0.000 0.865 197 T HN -0.390 7.756 8.240 -0.150 0.004 0.435 198 A N 1.132 123.888 122.820 -0.107 0.000 1.933 198 A HA -0.237 4.042 4.320 -0.070 0.000 0.218 198 A C 2.027 179.586 177.584 -0.040 0.000 1.175 198 A CA 2.780 54.779 52.037 -0.064 0.000 0.628 198 A CB -0.820 18.160 19.000 -0.034 0.000 0.814 198 A HN -0.351 7.665 8.150 -0.111 0.068 0.444 199 Q N -3.210 116.566 119.800 -0.041 0.000 2.079 199 Q HA -0.320 4.006 4.340 -0.022 0.000 0.200 199 Q C 3.121 179.113 176.000 -0.013 0.000 0.974 199 Q CA 2.780 58.567 55.803 -0.027 0.000 0.840 199 Q CB -0.498 28.221 28.738 -0.031 0.000 0.898 199 Q HN -0.009 8.217 8.270 -0.053 0.012 0.430 200 E N -0.270 119.927 120.200 -0.004 0.000 2.150 200 E HA -0.212 4.200 4.350 0.103 0.000 0.193 200 E C 2.263 178.910 176.600 0.077 0.000 0.985 200 E CA 2.156 58.596 56.400 0.067 0.000 0.814 200 E CB -0.561 29.165 29.700 0.043 0.000 0.752 200 E HN -0.598 7.746 8.360 -0.027 0.000 0.466 201 M N -1.804 117.801 119.600 0.008 0.000 2.460 201 M HA -0.056 4.650 4.480 0.022 -0.213 0.263 201 M C 2.077 178.368 176.300 -0.015 0.000 1.071 201 M CA 1.432 56.731 55.300 -0.001 0.000 1.096 201 M CB -0.755 31.827 32.600 -0.030 0.000 1.408 201 M HN -0.215 7.959 8.290 -0.018 0.105 0.463 202 Q N -2.513 117.271 119.800 -0.027 0.000 2.226 202 Q HA -0.290 4.034 4.340 -0.027 0.000 0.204 202 Q C 1.226 177.172 176.000 -0.090 0.000 0.975 202 Q CA 2.614 58.392 55.803 -0.042 0.000 0.866 202 Q CB -0.083 28.633 28.738 -0.038 0.000 0.915 202 Q HN -0.562 7.517 8.270 -0.021 0.178 0.440 203 K N -5.063 115.231 120.400 -0.177 0.000 2.412 203 K HA 0.099 4.261 4.320 -0.264 0.000 0.202 203 K C -0.625 175.621 176.600 -0.589 0.000 1.102 203 K CA -0.254 55.794 56.287 -0.398 0.000 1.027 203 K CB 2.383 34.536 32.500 -0.579 0.000 0.931 203 K HN -0.613 7.505 8.250 -0.139 0.048 0.557 204 H N -2.915 116.160 119.070 0.008 0.000 3.012 204 H HA 0.203 4.786 4.556 0.044 0.000 0.367 204 H C -0.824 174.503 175.328 -0.002 0.000 1.211 204 H CA -1.043 55.013 56.048 0.013 0.000 1.139 204 H CB 3.970 33.721 29.762 -0.019 0.000 1.838 204 H HN -0.640 7.590 8.280 -0.084 0.000 0.550 205 S N 0.921 116.702 115.700 0.135 0.000 2.501 205 S HA 0.069 4.568 4.470 0.048 0.000 0.220 205 S C -1.058 173.542 174.600 -0.001 0.000 0.997 205 S CA 2.457 60.694 58.200 0.063 0.000 0.919 205 S CB 0.968 64.217 63.200 0.081 0.000 0.778 205 S HN 0.630 9.043 8.310 0.173 0.000 0.523 206 L N -0.441 120.759 121.223 -0.039 0.000 2.365 206 L HA 0.792 5.253 4.340 -0.142 -0.206 0.273 206 L C -2.223 174.550 176.870 -0.162 0.000 1.000 206 L CA -0.891 53.856 54.840 -0.154 0.000 0.819 206 L CB 3.701 45.569 42.059 -0.319 0.000 1.284 206 L HN -0.832 7.358 8.230 0.015 0.048 0.418 207 V N 1.333 121.146 119.914 -0.168 0.000 2.623 207 V HA 0.530 4.710 4.120 -0.211 -0.187 0.304 207 V C -1.595 174.379 176.094 -0.200 0.000 1.054 207 V CA -1.572 60.624 62.300 -0.174 0.000 0.882 207 V CB 2.911 34.660 31.823 -0.122 0.000 1.002 207 V HN 0.630 8.728 8.190 -0.153 0.000 0.424 208 L N 4.643 125.727 121.223 -0.231 0.000 2.307 208 L HA 0.353 4.692 4.340 -0.219 -0.130 0.282 208 L C -1.280 175.592 176.870 0.003 0.000 1.051 208 L CA -0.992 53.713 54.840 -0.225 0.000 0.804 208 L CB 2.337 44.120 42.059 -0.459 0.000 1.197 208 L HN 0.654 8.723 8.230 -0.268 0.000 0.431 209 W N 2.788 123.929 121.300 -0.264 0.000 2.282 209 W HA 0.518 4.989 4.660 -0.315 0.000 0.322 209 W C -2.389 173.970 176.519 -0.268 0.000 1.011 209 W CA -3.728 53.448 57.345 -0.282 0.000 1.392 209 W CB -0.425 28.841 29.460 -0.323 0.000 1.215 209 W HN 0.729 8.946 8.180 0.061 0.000 0.394 210 P HA -0.222 3.857 4.420 -0.568 0.000 0.265 210 P C -0.972 176.063 177.300 -0.443 0.000 1.187 210 P CA 0.666 63.379 63.100 -0.646 0.000 0.766 210 P CB 0.067 31.114 31.700 -1.089 0.000 0.820 211 F N -5.214 114.721 119.950 -0.025 0.000 2.988 211 F HA -0.491 3.976 4.527 -0.100 0.000 0.287 211 F C -1.228 174.724 175.800 0.253 0.000 0.781 211 F CA 1.440 59.449 58.000 0.015 0.000 1.221 211 F CB -2.625 36.369 39.000 -0.010 0.000 1.392 211 F HN 0.220 8.263 8.300 -0.429 0.000 0.425 212 H N -3.180 115.998 119.070 0.179 0.000 2.039 212 H HA 0.072 4.653 4.556 0.043 0.000 0.141 212 H C -1.664 173.660 175.328 -0.005 0.000 1.103 212 H CA -0.168 55.948 56.048 0.114 0.000 1.115 212 H CB 3.372 33.292 29.762 0.263 0.000 0.802 212 H HN -0.477 7.927 8.280 0.258 0.031 0.282 213 G N -3.519 105.436 108.800 0.258 0.000 2.392 213 G HA2 0.141 4.314 3.960 0.173 0.000 0.260 213 G HA3 0.141 4.115 3.960 0.023 0.000 0.260 213 G C -3.622 171.248 174.900 -0.051 0.000 1.226 213 G CA 0.621 45.777 45.100 0.093 0.000 0.913 213 G HN -0.365 8.083 8.290 0.263 0.000 0.483 214 V N -1.251 118.575 119.914 -0.147 0.000 3.007 214 V HA 0.884 5.022 4.120 -0.227 -0.154 0.311 214 V C -2.225 173.712 176.094 -0.261 0.000 1.120 214 V CA -2.870 59.288 62.300 -0.236 0.000 0.980 214 V CB 4.309 35.945 31.823 -0.311 0.000 1.033 214 V HN -0.237 7.859 8.190 -0.156 0.000 0.429 215 F N 5.278 124.969 119.950 -0.432 0.000 2.520 215 F HA 0.842 5.386 4.527 -0.315 -0.207 0.322 215 F C -0.749 174.879 175.800 -0.286 0.000 1.103 215 F CA -2.288 55.481 58.000 -0.386 0.000 0.926 215 F CB 4.191 42.883 39.000 -0.514 0.000 1.154 215 F HN 0.741 8.971 8.300 -0.116 0.000 0.453 216 G N 0.556 109.296 108.800 -0.100 0.000 2.563 216 G HA2 0.591 4.493 3.960 -0.098 0.000 0.302 216 G HA3 0.591 4.957 3.960 -0.072 -0.449 0.302 216 G C -2.831 172.050 174.900 -0.031 0.000 1.301 216 G CA -1.337 43.718 45.100 -0.076 0.000 0.965 216 G HN 0.696 8.897 8.290 -0.148 0.000 0.480 217 S N 1.098 116.792 115.700 -0.010 0.000 2.548 217 S HA 1.084 5.789 4.470 0.004 -0.233 0.286 217 S C -0.424 174.203 174.600 0.045 0.000 1.098 217 S CA -2.275 55.929 58.200 0.007 0.000 0.930 217 S CB 2.551 65.744 63.200 -0.011 0.000 1.070 217 S HN -0.023 8.281 8.310 -0.010 0.000 0.480 218 G N 1.823 110.665 108.800 0.070 0.000 2.495 218 G HA2 0.351 4.366 3.960 0.093 0.000 0.294 218 G HA3 0.351 4.466 3.960 0.078 -0.109 0.294 218 G C -2.798 172.163 174.900 0.102 0.000 1.397 218 G CA -0.266 44.886 45.100 0.086 0.000 0.790 218 G HN -0.422 7.913 8.290 0.075 0.000 0.486 219 P HA 0.168 4.794 4.420 0.093 -0.151 0.227 219 P C -1.150 176.214 177.300 0.106 0.000 1.161 219 P CA 0.994 64.148 63.100 0.090 0.000 0.788 219 P CB 0.947 32.686 31.700 0.064 0.000 0.822 220 T N -6.755 107.870 114.554 0.117 0.000 2.883 220 T HA 0.210 4.654 4.350 0.155 0.000 0.296 220 T C 0.516 175.317 174.700 0.168 0.000 1.117 220 T CA -2.677 59.504 62.100 0.135 0.000 1.006 220 T CB 2.779 71.701 68.868 0.090 0.000 1.191 220 T HN -1.017 7.292 8.240 0.115 0.000 0.508 221 L N 0.128 121.470 121.223 0.199 0.000 2.012 221 L HA -0.433 4.038 4.340 0.218 0.000 0.210 221 L C 1.161 178.153 176.870 0.203 0.000 1.073 221 L CA 4.491 59.455 54.840 0.207 0.000 0.748 221 L CB -0.607 41.574 42.059 0.203 0.000 0.891 221 L HN 0.302 8.664 8.230 0.219 0.000 0.431 222 D N -2.454 118.038 120.400 0.154 0.000 2.117 222 D HA -0.313 4.419 4.640 0.153 0.000 0.197 222 D C 2.451 178.865 176.300 0.190 0.000 0.987 222 D CA 3.562 57.651 54.000 0.149 0.000 0.829 222 D CB -0.806 40.045 40.800 0.086 0.000 0.961 222 D HN 0.237 8.688 8.370 0.136 0.000 0.460 223 E N -0.218 120.073 120.200 0.151 0.000 2.110 223 E HA -0.309 4.123 4.350 0.136 0.000 0.193 223 E C 2.314 179.009 176.600 0.159 0.000 0.988 223 E CA 3.196 59.680 56.400 0.140 0.000 0.804 223 E CB 0.035 29.799 29.700 0.106 0.000 0.745 223 E HN -0.469 7.972 8.360 0.134 0.000 0.458 224 T N 2.049 116.706 114.554 0.173 0.000 2.770 224 T HA -0.277 4.140 4.350 0.112 0.000 0.263 224 T C 1.333 176.135 174.700 0.171 0.000 1.039 224 T CA 5.085 67.275 62.100 0.150 0.000 1.142 224 T CB -0.222 68.735 68.868 0.147 0.000 0.868 224 T HN -0.417 7.915 8.240 0.178 0.015 0.435 225 F N 3.201 123.222 119.950 0.118 0.000 2.095 225 F HA -0.265 4.372 4.527 0.183 0.000 0.298 225 F C 1.858 177.756 175.800 0.164 0.000 1.104 225 F CA 3.362 61.459 58.000 0.162 0.000 1.232 225 F CB 0.025 39.123 39.000 0.163 0.000 0.987 225 F HN 0.213 8.742 8.300 0.382 0.000 0.475 226 G N -2.542 106.490 108.800 0.387 0.000 2.432 226 G HA2 -0.416 3.697 3.960 0.256 0.000 0.219 226 G HA3 -0.416 3.752 3.960 0.347 0.000 0.219 226 G C 0.272 175.268 174.900 0.160 0.000 1.135 226 G CA 2.002 47.272 45.100 0.282 0.000 0.767 226 G HN 0.122 8.650 8.290 0.396 0.000 0.550 227 L N 2.044 123.341 121.223 0.123 0.000 1.989 227 L HA -0.284 4.150 4.340 0.156 0.000 0.211 227 L C 1.577 178.443 176.870 -0.006 0.000 1.071 227 L CA 2.867 57.762 54.840 0.093 0.000 0.749 227 L CB -0.077 42.024 42.059 0.070 0.000 0.890 227 L HN -0.472 7.840 8.230 0.136 0.000 0.431 228 I N -1.576 118.926 120.570 -0.113 0.000 2.226 228 I HA -0.630 3.359 4.170 -0.300 0.000 0.245 228 I C 1.789 177.746 176.117 -0.266 0.000 1.100 228 I CA 4.528 65.658 61.300 -0.284 0.000 1.374 228 I CB -0.552 37.199 38.000 -0.415 0.000 1.057 228 I HN -0.582 7.576 8.210 -0.086 0.000 0.413 229 D N -0.969 119.358 120.400 -0.122 0.000 2.149 229 D HA -0.275 4.481 4.640 0.193 0.000 0.198 229 D C 2.471 178.841 176.300 0.116 0.000 0.990 229 D CA 3.704 57.770 54.000 0.111 0.000 0.839 229 D CB -0.190 40.761 40.800 0.250 0.000 0.948 229 D HN 0.101 8.394 8.370 -0.128 0.000 0.460 230 T N 2.335 116.963 114.554 0.123 0.000 2.674 230 T HA -0.359 4.089 4.350 0.162 0.000 0.265 230 T C 1.675 176.502 174.700 0.212 0.000 1.039 230 T CA 4.791 67.001 62.100 0.182 0.000 1.150 230 T CB -0.225 68.785 68.868 0.237 0.000 0.864 230 T HN -0.409 7.887 8.240 0.113 0.012 0.427 231 A N 1.003 123.915 122.820 0.154 0.000 1.902 231 A HA -0.255 4.241 4.320 0.293 0.000 0.217 231 A C 1.843 179.439 177.584 0.019 0.000 1.181 231 A CA 3.105 55.182 52.037 0.068 0.000 0.623 231 A CB -0.781 18.033 19.000 -0.310 0.000 0.818 231 A HN -0.413 7.790 8.150 0.087 0.000 0.443 232 E N -2.042 118.115 120.200 -0.072 0.000 2.152 232 E HA -0.288 4.011 4.350 -0.086 0.000 0.192 232 E C 1.975 178.609 176.600 0.056 0.000 0.983 232 E CA 2.328 58.685 56.400 -0.072 0.000 0.818 232 E CB -0.434 29.114 29.700 -0.253 0.000 0.758 232 E HN -0.113 8.177 8.360 -0.116 0.000 0.467 233 K N 0.902 121.363 120.400 0.101 0.000 2.026 233 K HA -0.261 4.127 4.320 0.113 0.000 0.208 233 K C 2.030 178.678 176.600 0.080 0.000 1.048 233 K CA 2.563 58.914 56.287 0.108 0.000 0.929 233 K CB -0.531 32.039 32.500 0.117 0.000 0.713 233 K HN -0.199 8.113 8.250 0.104 0.000 0.439 234 S N -0.399 115.362 115.700 0.101 0.000 2.359 234 S HA -0.340 4.306 4.470 0.063 -0.138 0.224 234 S C 1.791 176.419 174.600 0.047 0.000 1.035 234 S CA 3.103 61.357 58.200 0.089 0.000 1.018 234 S CB -0.387 62.916 63.200 0.171 0.000 0.876 234 S HN -0.378 8.008 8.310 0.127 0.000 0.448 235 A N 0.490 123.347 122.820 0.061 0.000 1.940 235 A HA -0.347 3.988 4.320 0.024 0.000 0.219 235 A C 1.625 179.214 177.584 0.008 0.000 1.176 235 A CA 3.098 55.158 52.037 0.038 0.000 0.631 235 A CB -1.080 17.960 19.000 0.065 0.000 0.814 235 A HN -0.177 8.021 8.150 0.080 0.000 0.446 236 Q N -1.066 118.750 119.800 0.028 0.000 2.050 236 Q HA -0.352 4.172 4.340 0.029 -0.167 0.202 236 Q C 2.276 178.266 176.000 -0.017 0.000 0.980 236 Q CA 3.212 59.029 55.803 0.024 0.000 0.840 236 Q CB 0.092 28.863 28.738 0.056 0.000 0.898 236 Q HN -0.428 7.787 8.270 0.045 0.082 0.424 237 V N 0.320 120.218 119.914 -0.026 0.000 2.287 237 V HA -0.445 3.647 4.120 -0.046 0.000 0.248 237 V C 2.157 178.159 176.094 -0.153 0.000 1.053 237 V CA 3.984 66.248 62.300 -0.060 0.000 1.027 237 V CB -0.634 31.167 31.823 -0.037 0.000 0.646 237 V HN -0.337 7.850 8.190 -0.004 0.000 0.447 238 L N -1.273 119.814 121.223 -0.226 0.000 2.042 238 L HA -0.415 3.540 4.340 -0.642 0.000 0.210 238 L C 2.419 178.927 176.870 -0.604 0.000 1.076 238 L CA 3.437 57.946 54.840 -0.552 0.000 0.749 238 L CB -0.729 41.020 42.059 -0.517 0.000 0.893 238 L HN -0.140 7.998 8.230 -0.153 0.000 0.432 239 V N -1.016 118.759 119.914 -0.231 0.000 2.332 239 V HA -0.553 3.576 4.120 0.015 0.000 0.248 239 V C 2.215 178.278 176.094 -0.051 0.000 1.055 239 V CA 4.258 66.522 62.300 -0.059 0.000 1.038 239 V CB -1.041 30.795 31.823 0.022 0.000 0.651 239 V HN 0.025 8.121 8.190 -0.157 0.000 0.450 240 K N -0.356 120.002 120.400 -0.071 0.000 2.002 240 K HA -0.347 3.965 4.320 -0.012 0.000 0.209 240 K C 2.729 179.300 176.600 -0.048 0.000 1.048 240 K CA 3.466 59.729 56.287 -0.040 0.000 0.930 240 K CB -0.204 32.275 32.500 -0.034 0.000 0.714 240 K HN -0.759 7.443 8.250 -0.080 0.000 0.438 241 V N -0.463 119.378 119.914 -0.122 0.000 2.295 241 V HA -0.427 3.670 4.120 -0.038 0.000 0.246 241 V C 2.111 178.219 176.094 0.023 0.000 1.049 241 V CA 3.632 65.878 62.300 -0.090 0.000 1.024 241 V CB -0.688 31.033 31.823 -0.169 0.000 0.648 241 V HN -0.259 7.824 8.190 -0.179 0.000 0.447 242 Y N -1.867 118.433 120.300 0.000 0.000 2.224 242 Y HA -0.477 4.070 4.550 -0.005 0.000 0.289 242 Y C 3.206 179.106 175.900 0.001 0.000 1.146 242 Y CA 2.392 60.490 58.100 -0.003 0.000 1.182 242 Y CB -0.410 38.045 38.460 -0.008 0.000 0.983 242 Y HN 0.250 8.377 8.280 -0.255 0.000 0.524 243 S N 0.189 115.973 115.700 0.140 0.000 2.447 243 S HA -0.271 4.249 4.470 0.083 0.000 0.233 243 S C 0.930 175.564 174.600 0.056 0.000 1.006 243 S CA 2.661 60.909 58.200 0.080 0.000 0.957 243 S CB -0.066 63.165 63.200 0.052 0.000 0.773 243 S HN -0.295 8.084 8.310 0.115 0.000 0.507 244 M N -1.531 118.101 119.600 0.053 0.000 2.494 244 M HA 0.036 4.535 4.480 0.031 0.000 0.232 244 M C -0.497 175.831 176.300 0.046 0.000 1.137 244 M CA 0.239 55.562 55.300 0.038 0.000 1.012 244 M CB 0.346 32.961 32.600 0.025 0.000 1.567 244 M HN -0.719 7.462 8.290 0.058 0.144 0.486 245 G N -3.537 105.302 108.800 0.064 0.000 2.184 245 G HA2 -0.258 3.728 3.960 0.042 0.000 0.206 245 G HA3 -0.258 3.732 3.960 0.049 0.000 0.206 245 G C -0.008 174.937 174.900 0.074 0.000 0.995 245 G CA -0.374 44.760 45.100 0.056 0.000 0.651 245 G HN -0.392 7.765 8.290 0.080 0.181 0.511 246 G N -1.231 107.642 108.800 0.121 0.000 2.603 246 G HA2 -0.283 3.753 3.960 0.126 0.000 0.686 246 G HA3 -0.283 3.848 3.960 0.285 0.000 0.686 246 G C -2.171 172.794 174.900 0.109 0.000 1.286 246 G CA -0.663 44.534 45.100 0.162 0.000 0.871 246 G HN -0.327 8.038 8.290 0.125 0.000 0.568 247 M N 0.677 120.349 119.600 0.120 0.000 2.217 247 M HA -0.064 4.450 4.480 0.056 0.000 0.352 247 M C 0.710 177.041 176.300 0.052 0.000 1.376 247 M CA 1.158 56.502 55.300 0.073 0.000 1.107 247 M CB 0.324 32.972 32.600 0.081 0.000 1.723 247 M HN 0.137 8.525 8.290 0.163 0.000 0.461 248 K N 2.899 123.321 120.400 0.037 0.000 2.284 248 K HA -0.004 4.333 4.320 0.029 0.000 0.198 248 K C -0.154 176.461 176.600 0.026 0.000 1.048 248 K CA 0.937 57.242 56.287 0.029 0.000 0.987 248 K CB 0.651 33.165 32.500 0.023 0.000 0.800 248 K HN 0.526 8.797 8.250 0.034 0.000 0.486 249 Q N -0.761 119.055 119.800 0.027 0.000 2.534 249 Q HA 0.246 4.602 4.340 0.027 0.000 0.290 249 Q C -1.762 174.255 176.000 0.029 0.000 0.991 249 Q CA -0.807 55.012 55.803 0.026 0.000 0.783 249 Q CB 2.471 31.221 28.738 0.020 0.000 1.470 249 Q HN -0.470 7.817 8.270 0.027 0.000 0.406 250 T N -1.701 112.871 114.554 0.031 0.000 2.693 250 T HA 0.195 4.563 4.350 0.030 0.000 0.304 250 T C -1.014 173.708 174.700 0.036 0.000 1.471 250 T CA -0.860 61.261 62.100 0.035 0.000 0.993 250 T CB 2.111 71.007 68.868 0.047 0.000 1.554 250 T HN 0.044 8.302 8.240 0.030 0.000 0.496 251 I N 3.299 123.894 120.570 0.041 0.000 2.598 251 I HA 0.018 4.384 4.170 0.030 -0.178 0.284 251 I C -0.012 176.136 176.117 0.051 0.000 1.140 251 I CA 0.358 61.682 61.300 0.040 0.000 1.420 251 I CB -0.034 37.989 38.000 0.040 0.000 1.387 251 I HN 0.361 8.597 8.210 0.044 0.000 0.553 252 S N 7.504 123.228 115.700 0.040 0.000 2.669 252 S HA 0.102 4.602 4.470 0.050 0.000 0.270 252 S C 0.838 175.469 174.600 0.051 0.000 1.225 252 S CA -0.996 57.231 58.200 0.044 0.000 0.991 252 S CB 2.808 66.028 63.200 0.032 0.000 0.987 252 S HN 0.122 8.776 8.310 0.032 -0.326 0.552 253 R N 0.997 121.532 120.500 0.058 0.000 2.083 253 R HA -0.366 4.025 4.340 0.085 0.000 0.237 253 R C -0.168 176.155 176.300 0.038 0.000 1.137 253 R CA 3.445 59.583 56.100 0.064 0.000 0.951 253 R CB 0.232 30.571 30.300 0.065 0.000 0.851 253 R HN 0.612 8.915 8.270 0.055 0.000 0.434 254 E N -6.023 114.193 120.200 0.028 0.000 0.000 254 E HA 0.077 4.436 4.350 0.015 0.000 0.000 254 E C -0.537 nan 176.600 nan 0.000 0.000 254 E CA -0.310 56.099 56.400 0.016 0.000 0.000 254 E CB 0.967 30.676 29.700 0.014 0.000 0.000 254 E HN -0.571 7.808 8.360 0.031 0.000 0.000 255 E N -1.641 118.564 120.200 0.008 0.000 0.000 255 E HA 0.094 4.443 4.350 -0.001 0.000 0.000 255 E C 1.839 178.428 176.600 -0.019 0.000 0.000 255 E CA 0.277 56.677 56.400 -0.000 0.000 0.000 255 E CB 1.002 30.706 29.700 0.006 0.000 0.000 255 E HN -0.038 8.331 8.360 0.015 0.000 0.000 256 L N 1.877 123.086 121.223 -0.023 0.000 2.046 256 L HA -0.405 3.862 4.340 -0.121 0.000 0.208 256 L C 1.580 178.392 176.870 -0.097 0.000 1.077 256 L CA 3.680 58.469 54.840 -0.086 0.000 0.747 256 L CB 0.239 42.259 42.059 -0.066 0.000 0.896 256 L HN -0.088 8.142 8.230 0.000 0.000 0.432 257 I N -1.598 118.946 120.570 -0.043 0.000 2.179 257 I HA -0.651 3.489 4.170 -0.049 0.000 0.242 257 I C 1.634 177.731 176.117 -0.034 0.000 1.088 257 I CA 4.497 65.776 61.300 -0.035 0.000 1.357 257 I CB -0.417 37.579 38.000 -0.007 0.000 1.051 257 I HN -0.075 8.123 8.210 -0.020 0.000 0.409 258 A N -1.325 121.481 122.820 -0.023 0.000 1.933 258 A HA -0.343 3.963 4.320 -0.023 0.000 0.218 258 A C 1.543 179.119 177.584 -0.013 0.000 1.175 258 A CA 2.945 54.970 52.037 -0.020 0.000 0.628 258 A CB -0.787 18.205 19.000 -0.014 0.000 0.814 258 A HN -0.161 7.978 8.150 -0.019 0.000 0.444 259 L N -1.434 119.787 121.223 -0.003 0.000 2.012 259 L HA -0.348 4.068 4.340 0.127 0.000 0.210 259 L C 2.015 178.941 176.870 0.093 0.000 1.073 259 L CA 2.762 57.640 54.840 0.062 0.000 0.748 259 L CB -0.411 41.638 42.059 -0.015 0.000 0.891 259 L HN -0.119 8.099 8.230 -0.021 0.000 0.431 260 G N -2.952 105.830 108.800 -0.030 0.000 2.422 260 G HA2 -0.413 3.496 3.960 -0.085 0.000 0.218 260 G HA3 -0.413 3.533 3.960 -0.024 0.000 0.218 260 G C 1.206 176.107 174.900 0.001 0.000 1.146 260 G CA 2.030 47.109 45.100 -0.035 0.000 0.769 260 G HN -0.074 8.172 8.290 -0.074 0.000 0.547 261 K N 1.642 122.030 120.400 -0.020 0.000 2.057 261 K HA -0.332 3.972 4.320 -0.027 0.000 0.207 261 K C 3.097 179.657 176.600 -0.068 0.000 1.049 261 K CA 3.135 59.402 56.287 -0.034 0.000 0.931 261 K CB -0.175 32.302 32.500 -0.038 0.000 0.714 261 K HN -0.319 7.915 8.250 -0.026 0.000 0.440 262 R N 0.054 120.489 120.500 -0.107 0.000 2.096 262 R HA -0.176 4.015 4.340 -0.249 0.000 0.235 262 R C 1.555 177.592 176.300 -0.437 0.000 1.127 262 R CA 2.180 58.106 56.100 -0.290 0.000 0.968 262 R CB -0.335 29.754 30.300 -0.350 0.000 0.861 262 R HN -0.404 7.826 8.270 -0.068 0.000 0.440 263 F N -3.126 116.789 119.950 -0.058 0.000 2.693 263 F HA 0.194 4.696 4.527 -0.042 0.000 0.303 263 F C 0.294 176.067 175.800 -0.046 0.000 1.097 263 F CA 0.110 58.078 58.000 -0.053 0.000 1.330 263 F CB 0.579 39.538 39.000 -0.070 0.000 1.067 263 F HN -0.653 7.666 8.300 0.063 0.018 0.565 264 G N 0.512 109.340 108.800 0.046 0.000 2.246 264 G HA2 -0.375 3.600 3.960 0.024 0.000 0.273 264 G HA3 -0.375 3.588 3.960 0.006 0.000 0.273 264 G C -0.900 174.023 174.900 0.039 0.000 1.055 264 G CA 0.477 45.594 45.100 0.028 0.000 0.851 264 G HN -0.247 7.875 8.290 0.008 0.173 0.500 265 V N -4.716 115.219 119.914 0.035 0.000 2.864 265 V HA 0.465 4.599 4.120 0.024 0.000 0.314 265 V C -1.186 174.906 176.094 -0.004 0.000 1.073 265 V CA -2.717 59.592 62.300 0.015 0.000 0.956 265 V CB 2.206 34.027 31.823 -0.004 0.000 1.023 265 V HN -0.452 7.763 8.190 0.040 0.000 0.435 266 T N 5.325 119.886 114.554 0.011 0.000 2.781 266 T HA 0.361 4.716 4.350 0.009 0.000 0.305 266 T C -1.994 172.729 174.700 0.039 0.000 1.001 266 T CA -2.342 59.770 62.100 0.020 0.000 0.950 266 T CB 0.099 68.989 68.868 0.036 0.000 0.955 266 T HN -0.030 8.224 8.240 0.022 0.000 0.471 267 P HA -0.022 4.569 4.420 0.052 -0.139 0.275 267 P C -1.004 176.459 177.300 0.272 0.000 1.227 267 P CA -0.987 62.150 63.100 0.063 0.000 0.781 267 P CB 0.913 32.525 31.700 -0.148 0.000 0.906 268 L N 2.499 124.011 121.223 0.483 0.000 2.667 268 L HA -0.258 4.231 4.340 0.248 0.000 0.278 268 L C 0.886 177.934 176.870 0.297 0.000 1.217 268 L CA 0.765 55.817 54.840 0.354 0.000 0.935 268 L CB 0.967 43.228 42.059 0.336 0.000 1.193 268 L HN -0.101 8.516 8.230 0.644 0.000 0.493 269 A N 7.662 130.589 122.820 0.178 0.000 1.908 269 A HA -0.257 4.155 4.320 0.154 0.000 0.218 269 A C 1.379 179.038 177.584 0.125 0.000 1.181 269 A CA 3.172 55.293 52.037 0.141 0.000 0.627 269 A CB -0.478 18.577 19.000 0.092 0.000 0.818 269 A HN 0.605 8.846 8.150 0.151 0.000 0.445 270 S N -1.920 113.840 115.700 0.099 0.000 2.382 270 S HA -0.245 4.261 4.470 0.059 0.000 0.228 270 S C 1.636 176.265 174.600 0.048 0.000 1.027 270 S CA 2.858 61.096 58.200 0.063 0.000 0.991 270 S CB -0.775 62.452 63.200 0.045 0.000 0.823 270 S HN -0.027 8.344 8.310 0.103 0.000 0.469 271 A N 1.056 123.892 122.820 0.028 0.000 1.929 271 A HA -0.140 4.130 4.320 -0.083 0.000 0.216 271 A C 1.784 179.445 177.584 0.128 0.000 1.176 271 A CA 2.318 54.316 52.037 -0.065 0.000 0.628 271 A CB -0.490 18.221 19.000 -0.481 0.000 0.816 271 A HN -0.728 7.451 8.150 0.049 0.000 0.444 272 L N -1.254 120.143 121.223 0.289 0.000 2.141 272 L HA -0.320 4.247 4.340 0.378 0.000 0.209 272 L C 1.266 178.232 176.870 0.158 0.000 1.094 272 L CA 2.462 57.478 54.840 0.295 0.000 0.763 272 L CB -0.356 41.862 42.059 0.265 0.000 0.908 272 L HN -0.409 7.997 8.230 0.294 0.000 0.437 273 A N -4.444 118.445 122.820 0.115 0.000 2.119 273 A HA -0.254 4.111 4.320 0.074 0.000 0.217 273 A C 0.292 177.914 177.584 0.063 0.000 1.153 273 A CA 1.012 53.095 52.037 0.077 0.000 0.692 273 A CB -0.100 18.936 19.000 0.060 0.000 0.799 273 A HN -0.400 7.794 8.150 0.117 0.026 0.458 274 L N 0.000 121.261 121.223 0.064 0.000 2.949 274 L HA 0.000 4.362 4.340 0.036 0.000 0.249 274 L CA 0.000 54.868 54.840 0.046 0.000 0.813 274 L CB 0.000 42.079 42.059 0.033 0.000 0.961 274 L HN 0.000 8.222 8.230 0.075 0.053 0.502