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 1gi9_1_B DATA FIRST_RESID 16 DATA SEQUENCE IIGGEFTTIE NQPWFAAIYR RSVTYVcGGS LMSPcWVISA THcFPKEDYI DATA SEQUENCE VYLGRSRLNS NTQGEMKFEV ENLILHKDYS ALAHHNDIAL LKIRRcAQPS DATA SEQUENCE RTIQTICLPS MYNDPQFGTS cEITGFGKEA STDYLYPEQL KMTVVKLISH DATA SEQUENCE REcQHYYGSE VTTKMLcAAQ WKTDScQGDS GGPLVcSLQG RMTLTGIVSW DATA SEQUENCE GRXGcALDKP GVYTRVSHFL PWIRSHT 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 16 I HA 0.000 4.167 4.170 -0.006 0.000 0.288 16 I C 0.000 176.094 176.117 -0.038 0.000 1.063 16 I CA 0.000 61.279 61.300 -0.035 0.000 1.566 16 I CB 0.000 37.944 38.000 -0.094 0.000 1.214 17 I N 4.459 125.017 120.570 -0.019 0.000 2.331 17 I HA 0.416 4.733 4.170 -0.018 -0.158 0.292 17 I C 0.614 176.704 176.117 -0.046 0.000 0.998 17 I CA -2.575 58.716 61.300 -0.016 0.000 1.267 17 I CB -1.042 36.968 38.000 0.018 0.000 1.386 17 I HN 0.172 8.379 8.210 -0.004 0.000 0.476 18 G N 4.752 113.510 108.800 -0.070 0.000 2.642 18 G HA2 -0.357 3.551 3.960 -0.087 0.000 0.231 18 G HA3 -0.357 3.565 3.960 -0.064 0.000 0.231 18 G C -1.236 173.576 174.900 -0.147 0.000 1.338 18 G CA -0.241 44.806 45.100 -0.089 0.000 0.883 18 G HN 0.265 8.515 8.290 -0.067 0.000 0.570 19 G N 0.640 109.356 108.800 -0.139 0.000 2.660 19 G HA2 -0.380 3.512 3.960 -0.132 0.000 0.247 19 G HA3 -0.380 3.514 3.960 -0.199 -0.054 0.247 19 G C -1.573 173.192 174.900 -0.226 0.000 1.328 19 G CA -0.422 44.574 45.100 -0.173 0.000 0.884 19 G HN -0.136 8.090 8.290 -0.107 0.000 0.531 20 E N -2.232 117.823 120.200 -0.243 0.000 2.392 20 E HA 0.391 4.590 4.350 -0.252 0.000 0.269 20 E C -1.079 175.335 176.600 -0.310 0.000 0.924 20 E CA -2.302 53.961 56.400 -0.229 0.000 0.784 20 E CB 2.733 32.377 29.700 -0.094 0.000 1.292 20 E HN -0.119 8.110 8.360 -0.217 0.000 0.447 21 F N -0.026 119.891 119.950 -0.056 0.000 2.389 21 F HA 0.459 5.049 4.527 -0.085 -0.114 0.337 21 F C 0.736 176.487 175.800 -0.081 0.000 1.112 21 F CA 1.084 59.043 58.000 -0.068 0.000 1.192 21 F CB 1.593 40.567 39.000 -0.044 0.000 1.185 21 F HN 0.298 8.622 8.300 0.040 0.000 0.552 22 T N -0.266 114.336 114.554 0.080 0.000 2.654 22 T HA 0.361 4.717 4.350 0.010 0.000 0.289 22 T C -2.266 172.417 174.700 -0.028 0.000 1.062 22 T CA -2.579 59.513 62.100 -0.012 0.000 1.041 22 T CB 2.013 70.826 68.868 -0.091 0.000 1.417 22 T HN 0.670 8.863 8.240 0.089 0.100 0.510 23 T N -2.784 111.735 114.554 -0.058 0.000 2.916 23 T HA 0.263 4.592 4.350 -0.036 0.000 0.292 23 T C 0.176 174.820 174.700 -0.094 0.000 1.064 23 T CA -1.796 60.273 62.100 -0.052 0.000 1.011 23 T CB 2.196 71.046 68.868 -0.030 0.000 1.152 23 T HN -0.470 7.728 8.240 -0.069 0.000 0.510 24 I N 2.049 122.578 120.570 -0.068 0.000 2.454 24 I HA -0.292 3.798 4.170 -0.133 0.000 0.254 24 I C 1.298 177.337 176.117 -0.130 0.000 1.156 24 I CA 1.162 62.411 61.300 -0.086 0.000 1.433 24 I CB 0.221 38.225 38.000 0.006 0.000 1.082 24 I HN 0.733 8.926 8.210 -0.029 0.000 0.432 25 E N -2.964 117.178 120.200 -0.096 0.000 2.267 25 E HA -0.271 4.017 4.350 -0.103 0.000 0.197 25 E C 0.471 176.974 176.600 -0.161 0.000 0.998 25 E CA 2.323 58.660 56.400 -0.104 0.000 0.830 25 E CB -0.740 28.923 29.700 -0.062 0.000 0.751 25 E HN 0.506 8.798 8.360 -0.065 0.029 0.491 26 N N -2.940 115.659 118.700 -0.170 0.000 2.422 26 N HA -0.011 4.637 4.740 -0.153 0.000 0.181 26 N C -0.054 175.268 175.510 -0.315 0.000 1.080 26 N CA 1.133 54.071 53.050 -0.186 0.000 0.893 26 N CB 1.070 39.481 38.487 -0.126 0.000 0.973 26 N HN -0.514 7.619 8.380 -0.145 0.160 0.456 27 Q N -2.395 117.145 119.800 -0.433 0.000 3.007 27 Q HA 0.585 4.294 4.340 -1.052 0.000 0.321 27 Q C -1.839 173.649 176.000 -0.853 0.000 0.784 27 Q CA -2.305 53.071 55.803 -0.713 0.000 0.990 27 Q CB 1.170 29.689 28.738 -0.366 0.000 1.493 27 Q HN 0.058 7.921 8.270 -0.337 0.205 0.382 28 P HA -0.007 4.458 4.420 -0.227 -0.181 0.228 28 P C -0.378 176.805 177.300 -0.196 0.000 1.151 28 P CA 1.786 64.639 63.100 -0.412 0.000 0.770 28 P CB -0.024 31.506 31.700 -0.284 0.000 0.786 29 W N -5.425 115.949 121.300 0.123 0.000 3.316 29 W HA 0.257 5.084 4.660 0.084 -0.117 0.327 29 W C -1.016 175.584 176.519 0.134 0.000 1.232 29 W CA -3.635 53.774 57.345 0.106 0.000 1.805 29 W CB -0.978 28.530 29.460 0.079 0.000 1.090 29 W HN -0.822 6.363 8.180 -1.535 0.075 0.654 30 F N 3.913 123.888 119.950 0.043 0.000 2.427 30 F HA 0.356 5.162 4.527 0.211 -0.152 0.352 30 F C -1.976 173.911 175.800 0.144 0.000 1.100 30 F CA -0.530 57.539 58.000 0.115 0.000 1.191 30 F CB 2.002 40.998 39.000 -0.007 0.000 1.128 30 F HN -0.183 7.969 8.300 0.041 0.173 0.533 31 A N 6.787 129.263 122.820 -0.573 0.000 2.342 31 A HA 0.778 5.236 4.320 0.001 -0.137 0.323 31 A C -2.486 174.858 177.584 -0.400 0.000 1.125 31 A CA -2.312 49.568 52.037 -0.261 0.000 0.785 31 A CB 3.324 22.247 19.000 -0.128 0.000 1.221 31 A HN 0.297 7.837 8.150 -0.852 0.099 0.463 32 A N 2.632 125.514 122.820 0.103 0.000 2.271 32 A HA 0.454 4.959 4.320 0.308 0.000 0.317 32 A C -1.941 175.788 177.584 0.241 0.000 1.245 32 A CA -1.799 50.441 52.037 0.339 0.000 0.857 32 A CB 1.549 20.953 19.000 0.674 0.000 1.175 32 A HN 0.576 8.886 8.150 0.266 0.000 0.512 33 I N 4.176 124.711 120.570 -0.058 0.000 2.354 33 I HA 0.609 5.094 4.170 0.244 -0.169 0.292 33 I C -1.053 174.927 176.117 -0.227 0.000 0.989 33 I CA -1.083 60.210 61.300 -0.012 0.000 1.188 33 I CB 1.397 39.385 38.000 -0.020 0.000 1.342 33 I HN 0.286 8.374 8.210 -0.203 0.000 0.457 34 Y N 5.231 125.676 120.300 0.243 0.000 2.587 34 Y HA 0.784 5.575 4.550 0.181 -0.132 0.337 34 Y C -1.131 174.903 175.900 0.223 0.000 1.065 34 Y CA -2.059 56.182 58.100 0.235 0.000 1.126 34 Y CB 4.196 42.831 38.460 0.291 0.000 1.279 34 Y HN 0.737 9.349 8.280 0.552 0.000 0.489 35 R N -0.542 120.117 120.500 0.264 0.000 2.686 35 R HA 0.797 5.243 4.340 -0.113 -0.173 0.286 35 R C -1.357 174.961 176.300 0.029 0.000 0.969 35 R CA -1.976 54.123 56.100 -0.002 0.000 0.898 35 R CB 4.520 34.743 30.300 -0.129 0.000 1.183 35 R HN 0.893 9.342 8.270 0.298 0.000 0.456 36 R N 4.299 124.773 120.500 -0.043 0.000 2.428 36 R HA 0.276 4.634 4.340 0.030 0.000 0.294 36 R C -0.330 175.951 176.300 -0.032 0.000 1.000 36 R CA -0.728 55.367 56.100 -0.008 0.000 0.960 36 R CB 1.152 31.446 30.300 -0.010 0.000 1.076 36 R HN 0.716 8.910 8.270 -0.128 0.000 0.475 37 S N 2.259 117.968 115.700 0.016 0.000 3.309 37 S HA -0.387 4.098 4.470 0.024 0.000 0.475 37 S C -0.992 173.634 174.600 0.042 0.000 1.207 37 S CA 1.039 59.256 58.200 0.028 0.000 0.905 37 S CB 0.328 63.548 63.200 0.033 0.000 0.735 37 S HN 0.267 8.586 8.310 0.014 0.000 0.396 38 V N -2.994 116.959 119.914 0.065 0.000 2.638 38 V HA 0.658 5.036 4.120 0.097 -0.200 0.306 38 V C -1.038 175.167 176.094 0.185 0.000 1.052 38 V CA -1.471 60.895 62.300 0.111 0.000 0.885 38 V CB 2.736 34.612 31.823 0.089 0.000 0.999 38 V HN -0.211 8.015 8.190 0.060 0.000 0.424 39 T N 1.970 116.663 114.554 0.232 0.000 2.942 39 T HA 0.227 4.755 4.350 0.295 0.000 0.289 39 T C -1.594 173.344 174.700 0.398 0.000 1.044 39 T CA -2.276 59.993 62.100 0.282 0.000 1.023 39 T CB 2.103 71.076 68.868 0.175 0.000 1.123 39 T HN 0.357 8.713 8.240 0.193 0.000 0.512 40 Y N 1.742 122.177 120.300 0.225 0.000 2.304 40 Y HA -0.031 4.460 4.550 -0.270 -0.102 0.327 40 Y C -1.175 174.761 175.900 0.060 0.000 1.209 40 Y CA 1.589 59.685 58.100 -0.005 0.000 1.299 40 Y CB 1.329 39.774 38.460 -0.026 0.000 1.249 40 Y HN -0.014 8.541 8.280 0.459 0.000 0.519 41 V N 4.862 124.417 119.914 -0.599 0.000 3.050 41 V HA 0.027 4.042 4.120 -0.175 0.000 0.223 41 V C -1.109 174.567 176.094 -0.696 0.000 1.162 41 V CA 0.827 62.873 62.300 -0.423 0.000 1.247 41 V CB 2.762 34.453 31.823 -0.220 0.000 1.125 41 V HN 0.590 8.140 8.190 -1.067 0.000 0.508 42 c N -5.188 112.859 118.600 -0.923 0.000 3.316 42 c HA 0.164 4.439 4.570 -0.492 0.000 0.360 42 c C -1.759 172.038 174.090 -0.489 0.000 1.560 42 c CA -0.663 55.286 56.329 -0.634 0.000 1.229 42 c CB 3.891 46.105 42.510 -0.494 0.000 1.823 42 c HN -0.717 6.970 8.230 -0.905 0.000 0.440 43 G N -1.432 107.294 108.800 -0.123 0.000 2.613 43 G HA2 0.797 4.797 3.960 -0.139 0.000 0.303 43 G HA3 0.797 4.841 3.960 0.141 0.000 0.303 43 G C -2.411 172.371 174.900 -0.197 0.000 1.312 43 G CA -1.460 43.589 45.100 -0.085 0.000 1.036 43 G HN 0.386 8.625 8.290 -0.084 0.000 0.513 44 G N -3.784 104.810 108.800 -0.343 0.000 2.548 44 G HA2 0.593 4.784 3.960 -0.061 0.000 0.301 44 G HA3 0.593 4.481 3.960 -0.120 0.000 0.301 44 G C -2.757 172.057 174.900 -0.143 0.000 1.349 44 G CA 0.295 45.302 45.100 -0.155 0.000 0.792 44 G HN -0.490 7.339 8.290 -0.769 0.000 0.481 45 S N -0.962 114.732 115.700 -0.009 0.000 2.549 45 S HA 0.918 5.705 4.470 0.147 -0.229 0.280 45 S C -1.614 173.034 174.600 0.080 0.000 1.109 45 S CA -0.857 57.399 58.200 0.094 0.000 0.905 45 S CB 4.382 67.653 63.200 0.118 0.000 1.081 45 S HN 0.305 8.615 8.310 0.000 0.000 0.477 46 L N 4.370 125.672 121.223 0.132 0.000 2.260 46 L HA 0.311 4.812 4.340 0.053 -0.130 0.289 46 L C -0.977 175.950 176.870 0.094 0.000 1.057 46 L CA -0.287 54.609 54.840 0.094 0.000 0.811 46 L CB 0.978 43.099 42.059 0.103 0.000 1.184 46 L HN 0.324 8.692 8.230 0.229 0.000 0.429 47 M N 5.890 125.538 119.600 0.080 0.000 2.357 47 M HA 0.062 4.555 4.480 0.021 0.000 0.266 47 M C 0.184 176.524 176.300 0.066 0.000 1.095 47 M CA 2.540 57.873 55.300 0.055 0.000 1.156 47 M CB 1.365 33.994 32.600 0.049 0.000 1.365 47 M HN 0.461 8.808 8.290 0.096 0.000 0.447 48 S N -4.531 111.235 115.700 0.109 0.000 2.625 48 S HA 0.428 4.946 4.470 0.080 0.000 0.271 48 S C -1.781 172.875 174.600 0.092 0.000 1.161 48 S CA -1.649 56.617 58.200 0.111 0.000 0.820 48 S CB 0.876 64.169 63.200 0.154 0.000 1.137 48 S HN -0.760 7.632 8.310 0.136 0.000 0.470 49 P HA -0.208 4.217 4.420 0.009 0.000 0.218 49 P C -0.040 177.216 177.300 -0.074 0.000 1.154 49 P CA 2.575 65.682 63.100 0.013 0.000 0.872 49 P CB 0.048 31.766 31.700 0.030 0.000 0.790 50 c N -8.023 110.535 118.600 -0.069 0.000 3.038 50 c HA 0.303 4.676 4.570 -0.327 0.000 0.279 50 c C -1.096 172.708 174.090 -0.476 0.000 1.276 50 c CA -1.137 55.011 56.329 -0.303 0.000 1.697 50 c CB -0.766 41.521 42.510 -0.372 0.000 2.032 50 c HN -0.094 8.145 8.230 0.048 0.019 0.636 51 W N -1.392 119.838 121.300 -0.116 0.000 2.739 51 W HA 0.477 5.227 4.660 -0.127 -0.167 0.331 51 W C -1.691 174.764 176.519 -0.107 0.000 1.049 51 W CA -1.081 56.198 57.345 -0.111 0.000 1.234 51 W CB 3.084 32.495 29.460 -0.082 0.000 1.404 51 W HN -0.248 7.893 8.180 0.134 0.119 0.477 52 V N 2.464 122.459 119.914 0.136 0.000 2.628 52 V HA 0.819 5.159 4.120 0.055 -0.187 0.306 52 V C -1.909 174.237 176.094 0.088 0.000 1.045 52 V CA -1.618 60.712 62.300 0.051 0.000 0.905 52 V CB 3.883 35.678 31.823 -0.045 0.000 0.997 52 V HN 0.768 9.033 8.190 0.126 0.000 0.436 53 I N 5.735 126.344 120.570 0.064 0.000 2.530 53 I HA 0.870 5.268 4.170 0.083 -0.178 0.297 53 I C -2.147 173.994 176.117 0.040 0.000 1.011 53 I CA -2.543 58.797 61.300 0.067 0.000 1.107 53 I CB 2.856 40.897 38.000 0.068 0.000 1.285 53 I HN 0.590 8.830 8.210 0.050 0.000 0.436 54 S N 6.606 122.334 115.700 0.046 0.000 3.341 54 S HA 0.522 5.174 4.470 0.007 -0.177 0.326 54 S C -2.133 172.470 174.600 0.005 0.000 1.178 54 S CA -1.885 56.337 58.200 0.036 0.000 1.002 54 S CB 2.332 65.605 63.200 0.122 0.000 1.385 54 S HN 0.404 8.750 8.310 0.059 0.000 0.710 55 A N -0.355 122.437 122.820 -0.048 0.000 2.303 55 A HA 0.537 4.919 4.320 -0.118 -0.134 0.320 55 A C 0.369 177.854 177.584 -0.165 0.000 1.192 55 A CA -1.341 50.605 52.037 -0.152 0.000 0.821 55 A CB 1.862 20.691 19.000 -0.285 0.000 1.188 55 A HN 0.397 8.506 8.150 -0.068 0.000 0.492 56 T N 7.423 121.886 114.554 -0.152 0.000 2.737 56 T HA -0.458 3.921 4.350 0.048 0.000 0.269 56 T C 1.364 175.800 174.700 -0.440 0.000 1.040 56 T CA 4.640 66.620 62.100 -0.200 0.000 1.142 56 T CB -0.279 68.415 68.868 -0.290 0.000 0.861 56 T HN 0.739 8.982 8.240 -0.147 -0.091 0.456 57 H N -0.432 118.257 119.070 -0.634 0.000 2.518 57 H HA -0.231 3.899 4.556 -0.709 0.000 0.292 57 H C 1.068 176.142 175.328 -0.424 0.000 1.068 57 H CA 2.607 58.291 56.048 -0.608 0.000 1.275 57 H CB -1.020 28.324 29.762 -0.696 0.000 1.375 57 H HN -0.058 8.296 8.280 -0.439 -0.338 0.563 58 c N -1.509 116.592 118.600 -0.832 0.000 2.467 58 c HA -0.159 3.993 4.570 -0.697 0.000 0.279 58 c C -0.143 173.377 174.090 -0.949 0.000 1.347 58 c CA 2.296 58.038 56.329 -0.979 0.000 1.748 58 c CB -1.464 40.218 42.510 -1.379 0.000 1.977 58 c HN -0.492 7.082 8.230 -0.823 0.161 0.501 59 F N -1.674 118.121 119.950 -0.258 0.000 2.457 59 F HA 0.417 4.895 4.527 -0.081 0.000 0.330 59 F C -0.861 174.892 175.800 -0.078 0.000 1.069 59 F CA -2.473 55.424 58.000 -0.171 0.000 1.009 59 F CB 0.570 39.405 39.000 -0.276 0.000 1.276 59 F HN -0.698 7.159 8.300 -0.514 0.135 0.492 60 P HA 0.351 4.921 4.420 0.251 0.000 0.439 60 P C -1.565 175.845 177.300 0.183 0.000 1.315 60 P CA -0.201 63.018 63.100 0.198 0.000 1.657 60 P CB 0.310 32.078 31.700 0.113 0.000 2.142 61 K N 0.654 121.198 120.400 0.240 0.000 2.210 61 K HA 0.267 4.651 4.320 0.106 0.000 0.236 61 K C 1.008 177.751 176.600 0.238 0.000 1.016 61 K CA -1.185 55.192 56.287 0.149 0.000 0.913 61 K CB 0.795 33.332 32.500 0.061 0.000 1.141 61 K HN -0.361 8.082 8.250 0.321 0.000 0.462 62 E N -1.781 118.476 120.200 0.094 0.000 3.729 62 E HA -0.370 4.007 4.350 0.045 0.000 0.234 62 E C 1.402 178.018 176.600 0.027 0.000 0.708 62 E CA 2.662 59.092 56.400 0.049 0.000 0.924 62 E CB -0.283 29.429 29.700 0.021 0.000 1.497 62 E HN 0.905 9.313 8.360 0.080 0.000 0.422 63 D N -1.588 118.803 120.400 -0.014 0.000 2.342 63 D HA 0.200 4.801 4.640 -0.066 0.000 0.221 63 D C -1.636 174.553 176.300 -0.185 0.000 1.101 63 D CA -0.640 53.282 54.000 -0.130 0.000 0.837 63 D CB 0.321 40.983 40.800 -0.229 0.000 0.938 63 D HN -0.044 8.229 8.370 0.017 0.107 0.508 64 Y N -1.833 118.507 120.300 0.067 0.000 2.457 64 Y HA 0.472 5.274 4.550 0.132 -0.172 0.333 64 Y C -0.700 175.250 175.900 0.084 0.000 1.119 64 Y CA -0.406 57.755 58.100 0.103 0.000 1.143 64 Y CB 3.042 41.575 38.460 0.121 0.000 1.230 64 Y HN -0.680 7.662 8.280 0.206 0.061 0.469 65 I N -0.586 120.162 120.570 0.296 0.000 2.582 65 I HA 0.399 4.753 4.170 0.086 -0.132 0.292 65 I C -1.608 174.653 176.117 0.239 0.000 1.066 65 I CA -2.524 58.872 61.300 0.160 0.000 1.053 65 I CB 3.111 41.159 38.000 0.080 0.000 1.241 65 I HN 0.455 8.903 8.210 0.396 0.000 0.421 66 V N 5.933 125.924 119.914 0.129 0.000 2.604 66 V HA 0.492 4.979 4.120 0.330 -0.169 0.305 66 V C -1.662 174.545 176.094 0.189 0.000 1.043 66 V CA -1.595 60.838 62.300 0.222 0.000 0.888 66 V CB 2.806 34.714 31.823 0.143 0.000 0.995 66 V HN 0.507 8.727 8.190 0.050 0.000 0.429 67 Y N 4.507 125.038 120.300 0.385 0.000 2.446 67 Y HA 0.796 5.775 4.550 0.352 -0.219 0.345 67 Y C -0.935 175.159 175.900 0.324 0.000 0.984 67 Y CA -1.781 56.532 58.100 0.354 0.000 1.058 67 Y CB 4.037 42.691 38.460 0.324 0.000 1.220 67 Y HN 0.561 9.177 8.280 0.559 0.000 0.455 68 L N -0.623 120.899 121.223 0.497 0.000 2.323 68 L HA 0.458 4.976 4.340 0.297 0.000 0.265 68 L C 0.670 177.730 176.870 0.317 0.000 1.012 68 L CA -1.652 53.399 54.840 0.352 0.000 0.820 68 L CB 3.682 45.939 42.059 0.331 0.000 1.334 68 L HN 0.497 9.050 8.230 0.538 0.000 0.427 69 G N -1.096 107.848 108.800 0.239 0.000 2.273 69 G HA2 -0.483 3.705 3.960 0.134 0.000 0.280 69 G HA3 -0.483 3.572 3.960 0.158 0.000 0.280 69 G C -1.489 173.518 174.900 0.179 0.000 1.047 69 G CA 0.459 45.664 45.100 0.176 0.000 0.869 69 G HN 0.628 9.051 8.290 0.221 0.000 0.502 70 R N -1.764 118.882 120.500 0.243 0.000 2.265 70 R HA 0.040 4.471 4.340 0.152 0.000 0.328 70 R C -1.493 174.966 176.300 0.266 0.000 0.969 70 R CA -0.688 55.554 56.100 0.237 0.000 0.832 70 R CB 0.982 31.465 30.300 0.305 0.000 1.139 70 R HN -0.209 8.241 8.270 0.299 0.000 0.457 71 S N 3.802 119.609 115.700 0.178 0.000 2.486 71 S HA -0.049 4.488 4.470 0.110 0.000 0.220 71 S C -0.363 174.401 174.600 0.274 0.000 1.011 71 S CA 2.059 60.351 58.200 0.153 0.000 0.921 71 S CB 1.261 64.499 63.200 0.064 0.000 0.785 71 S HN 0.695 9.078 8.310 0.123 0.000 0.517 72 R N -1.126 119.512 120.500 0.229 0.000 2.832 72 R HA 0.552 5.233 4.340 0.277 -0.175 0.271 72 R C -0.420 175.835 176.300 -0.075 0.000 0.996 72 R CA -1.157 55.032 56.100 0.147 0.000 0.977 72 R CB 2.552 32.864 30.300 0.020 0.000 1.168 72 R HN -1.024 7.339 8.270 0.156 0.000 0.482 73 L N -0.151 120.834 121.223 -0.397 0.000 2.068 73 L HA -0.075 3.599 4.340 -1.110 0.000 0.204 73 L C 1.007 177.728 176.870 -0.247 0.000 1.076 73 L CA 2.016 56.429 54.840 -0.711 0.000 0.753 73 L CB 1.088 42.655 42.059 -0.818 0.000 0.910 73 L HN 0.577 8.570 8.230 -0.218 0.107 0.439 74 N N -3.148 115.448 118.700 -0.174 0.000 2.171 74 N HA 0.084 4.736 4.740 -0.146 0.000 0.212 74 N C -0.499 174.930 175.510 -0.135 0.000 1.184 74 N CA 0.386 53.359 53.050 -0.128 0.000 0.888 74 N CB 1.573 40.018 38.487 -0.070 0.000 1.038 74 N HN -0.158 8.395 8.380 -0.169 -0.275 0.517 75 S N 0.588 116.211 115.700 -0.128 0.000 2.648 75 S HA 0.291 4.698 4.470 -0.105 0.000 0.305 75 S C -1.592 172.932 174.600 -0.126 0.000 1.094 75 S CA -1.070 57.067 58.200 -0.106 0.000 0.983 75 S CB 1.939 65.096 63.200 -0.072 0.000 1.101 75 S HN -0.362 7.871 8.310 -0.128 0.000 0.514 76 N N 0.623 119.257 118.700 -0.110 0.000 2.513 76 N HA -0.021 4.755 4.740 -0.168 -0.138 0.274 76 N C -0.822 174.654 175.510 -0.057 0.000 1.189 76 N CA 0.323 53.307 53.050 -0.110 0.000 0.975 76 N CB 1.277 39.712 38.487 -0.087 0.000 1.157 76 N HN 0.105 8.431 8.380 -0.090 0.000 0.465 77 T N 2.149 116.681 114.554 -0.036 0.000 2.856 77 T HA 0.184 4.532 4.350 -0.003 0.000 0.283 77 T C -1.244 173.462 174.700 0.010 0.000 1.008 77 T CA -0.560 61.540 62.100 0.001 0.000 0.997 77 T CB 1.921 70.809 68.868 0.034 0.000 0.992 77 T HN 0.021 8.555 8.240 -0.051 -0.324 0.454 78 Q N 5.171 124.978 119.800 0.011 0.000 2.313 78 Q HA -0.101 4.246 4.340 0.012 0.000 0.266 78 Q C 0.941 176.959 176.000 0.029 0.000 0.989 78 Q CA 1.022 56.834 55.803 0.015 0.000 0.890 78 Q CB 0.295 29.037 28.738 0.008 0.000 1.200 78 Q HN 0.328 8.603 8.270 0.007 0.000 0.396 79 G N 4.938 113.759 108.800 0.035 0.000 2.194 79 G HA2 -0.311 3.675 3.960 0.043 0.000 0.236 79 G HA3 -0.311 3.678 3.960 0.048 0.000 0.236 79 G C -1.017 173.930 174.900 0.078 0.000 0.987 79 G CA -0.390 44.739 45.100 0.049 0.000 0.635 79 G HN 0.338 8.646 8.290 0.030 0.000 0.520 80 E N 0.081 120.335 120.200 0.089 0.000 2.404 80 E HA 0.041 4.633 4.350 0.177 -0.136 0.261 80 E C -0.657 176.037 176.600 0.157 0.000 1.074 80 E CA -0.222 56.270 56.400 0.154 0.000 0.917 80 E CB 0.675 30.469 29.700 0.158 0.000 0.965 80 E HN -0.651 7.690 8.360 0.066 0.059 0.433 81 M N 1.536 121.261 119.600 0.209 0.000 2.464 81 M HA 0.291 4.735 4.480 -0.060 0.000 0.308 81 M C -1.683 174.585 176.300 -0.054 0.000 1.127 81 M CA -0.661 54.653 55.300 0.023 0.000 0.913 81 M CB 4.765 37.410 32.600 0.075 0.000 1.689 81 M HN 0.254 8.723 8.290 0.298 0.000 0.445 82 K N 3.365 123.486 120.400 -0.464 0.000 2.259 82 K HA 0.720 4.749 4.320 -0.746 -0.157 0.252 82 K C -1.482 174.584 176.600 -0.889 0.000 0.936 82 K CA -1.108 54.772 56.287 -0.677 0.000 0.810 82 K CB 2.650 34.806 32.500 -0.572 0.000 1.143 82 K HN 0.226 8.173 8.250 -0.506 0.000 0.427 83 F N 1.828 121.623 119.950 -0.260 0.000 2.643 83 F HA 0.295 4.830 4.527 -0.126 -0.083 0.314 83 F C -1.374 174.344 175.800 -0.137 0.000 1.096 83 F CA -1.034 56.876 58.000 -0.151 0.000 0.953 83 F CB 4.224 43.157 39.000 -0.111 0.000 1.345 83 F HN 0.770 8.951 8.300 -0.200 0.000 0.468 84 E N -1.398 118.861 120.200 0.099 0.000 2.232 84 E HA 0.467 4.839 4.350 0.038 0.000 0.264 84 E C -0.758 175.864 176.600 0.037 0.000 0.973 84 E CA -2.641 53.783 56.400 0.040 0.000 0.849 84 E CB 2.809 32.513 29.700 0.006 0.000 1.198 84 E HN 0.543 8.982 8.360 0.131 0.000 0.407 85 V N 1.703 121.625 119.914 0.013 0.000 2.348 85 V HA 0.078 4.276 4.120 -0.096 -0.135 0.270 85 V C -0.554 175.496 176.094 -0.073 0.000 1.037 85 V CA -0.139 62.129 62.300 -0.054 0.000 0.872 85 V CB -0.574 31.220 31.823 -0.048 0.000 1.002 85 V HN 0.642 8.855 8.190 0.038 0.000 0.464 86 E N 7.931 128.057 120.200 -0.124 0.000 2.112 86 E HA -0.258 4.045 4.350 -0.077 0.000 0.190 86 E C -1.069 175.455 176.600 -0.127 0.000 0.979 86 E CA 2.318 58.645 56.400 -0.121 0.000 0.814 86 E CB 1.266 30.870 29.700 -0.160 0.000 0.762 86 E HN 0.616 8.877 8.360 -0.164 0.000 0.460 87 N N -3.409 115.186 118.700 -0.176 0.000 2.264 87 N HA 0.221 4.914 4.740 -0.079 0.000 0.288 87 N C -2.556 172.873 175.510 -0.134 0.000 1.094 87 N CA -0.461 52.516 53.050 -0.121 0.000 0.817 87 N CB 3.655 42.092 38.487 -0.083 0.000 1.604 87 N HN -0.653 7.586 8.380 -0.236 0.000 0.473 88 L N 3.283 124.437 121.223 -0.115 0.000 2.377 88 L HA 0.598 4.928 4.340 -0.254 -0.142 0.270 88 L C -1.237 175.562 176.870 -0.118 0.000 0.991 88 L CA -0.503 54.216 54.840 -0.201 0.000 0.851 88 L CB 1.926 43.823 42.059 -0.269 0.000 1.218 88 L HN 0.373 8.558 8.230 -0.076 0.000 0.420 89 I N 8.279 128.799 120.570 -0.084 0.000 2.330 89 I HA 0.241 4.391 4.170 -0.033 0.000 0.286 89 I C -1.393 174.754 176.117 0.050 0.000 1.025 89 I CA -0.855 60.418 61.300 -0.045 0.000 1.197 89 I CB 0.683 38.584 38.000 -0.165 0.000 1.358 89 I HN 1.008 9.167 8.210 -0.084 0.000 0.467 90 L N 5.803 127.063 121.223 0.062 0.000 2.375 90 L HA 0.401 4.794 4.340 0.089 0.000 0.268 90 L C -0.571 176.417 176.870 0.197 0.000 1.058 90 L CA -1.692 53.205 54.840 0.095 0.000 0.803 90 L CB 1.765 43.843 42.059 0.031 0.000 1.212 90 L HN 0.469 8.718 8.230 0.032 0.000 0.451 91 H N 2.999 122.088 119.070 0.032 0.000 2.800 91 H HA -0.028 4.594 4.556 0.110 0.000 0.291 91 H C -0.750 174.629 175.328 0.086 0.000 1.076 91 H CA 0.373 56.394 56.048 -0.046 0.000 1.452 91 H CB 1.006 30.539 29.762 -0.381 0.000 1.461 91 H HN 0.386 8.734 8.280 0.112 0.000 0.488 92 K N 8.143 128.522 120.400 -0.035 0.000 2.368 92 K HA -0.079 4.321 4.320 0.133 0.000 0.282 92 K C -1.195 175.511 176.600 0.177 0.000 1.035 92 K CA 0.472 56.813 56.287 0.090 0.000 0.973 92 K CB -0.669 31.875 32.500 0.072 0.000 0.957 92 K HN 0.375 8.533 8.250 -0.153 0.000 0.474 93 D N -4.337 116.188 120.400 0.208 0.000 2.983 93 D HA -0.283 4.433 4.640 0.127 0.000 0.202 93 D C -1.331 175.093 176.300 0.207 0.000 0.979 93 D CA 0.922 55.042 54.000 0.199 0.000 0.987 93 D CB -1.828 39.113 40.800 0.235 0.000 1.045 93 D HN 0.378 8.859 8.370 0.184 0.000 0.451 94 Y N 1.098 121.485 120.300 0.146 0.000 2.411 94 Y HA 0.017 4.832 4.550 0.088 -0.213 0.333 94 Y C -1.188 174.777 175.900 0.108 0.000 1.186 94 Y CA 0.991 59.156 58.100 0.107 0.000 1.381 94 Y CB 0.684 39.197 38.460 0.089 0.000 1.273 94 Y HN -0.608 7.834 8.280 0.345 0.045 0.546 95 S N 5.600 120.817 115.700 -0.806 0.000 2.541 95 S HA 0.249 4.448 4.470 -0.451 0.000 0.271 95 S C -2.304 171.904 174.600 -0.652 0.000 1.133 95 S CA -0.832 57.042 58.200 -0.544 0.000 0.876 95 S CB 2.241 65.325 63.200 -0.193 0.000 1.105 95 S HN -0.044 7.775 8.310 -0.820 0.000 0.470 96 A N 2.668 125.247 122.820 -0.403 0.000 2.435 96 A HA 0.790 5.061 4.320 -0.423 -0.205 0.296 96 A C 0.929 178.371 177.584 -0.237 0.000 1.147 96 A CA -1.170 50.679 52.037 -0.314 0.000 0.775 96 A CB 1.724 20.662 19.000 -0.102 0.000 1.340 96 A HN 0.486 8.471 8.150 -0.274 0.000 0.427 97 L N 0.402 121.350 121.223 -0.458 0.000 2.403 97 L HA -0.483 3.590 4.340 -0.444 0.000 0.237 97 L C 0.571 176.584 176.870 -1.429 0.000 1.138 97 L CA 2.261 56.685 54.840 -0.694 0.000 0.841 97 L CB -0.386 41.281 42.059 -0.653 0.000 0.979 97 L HN 0.480 8.446 8.230 -0.441 0.000 0.435 98 A N -4.236 117.547 122.820 -1.728 0.000 2.340 98 A HA 0.047 2.009 4.320 -3.931 0.000 0.268 98 A C -1.561 175.187 177.584 -1.394 0.000 1.100 98 A CA -0.672 50.033 52.037 -2.221 0.000 0.803 98 A CB 1.355 19.423 19.000 -1.554 0.000 1.043 98 A HN -0.260 7.167 8.150 -1.205 0.000 0.488 99 H N 0.773 119.250 119.070 -0.987 0.000 2.489 99 H HA 0.751 5.200 4.556 -0.502 -0.195 0.343 99 H C -0.414 174.645 175.328 -0.447 0.000 1.086 99 H CA -1.412 54.360 56.048 -0.460 0.000 1.198 99 H CB 2.271 32.020 29.762 -0.022 0.000 1.490 99 H HN 0.162 7.688 8.280 -1.258 0.000 0.504 100 H N 2.736 121.735 119.070 -0.119 0.000 2.499 100 H HA 0.268 4.850 4.556 0.043 0.000 0.340 100 H C 0.005 175.333 175.328 -0.001 0.000 1.148 100 H CA -0.936 55.087 56.048 -0.043 0.000 1.215 100 H CB 3.230 32.928 29.762 -0.107 0.000 1.529 100 H HN 0.740 8.752 8.280 -0.270 0.107 0.510 101 N N -1.313 117.456 118.700 0.115 0.000 2.705 101 N HA -0.375 4.263 4.740 -0.169 0.000 0.255 101 N C -1.408 173.958 175.510 -0.241 0.000 1.008 101 N CA 1.132 54.080 53.050 -0.170 0.000 0.742 101 N CB -0.682 37.676 38.487 -0.214 0.000 0.906 101 N HN 0.549 9.055 8.380 0.210 0.000 0.541 102 D N -1.236 119.079 120.400 -0.142 0.000 2.563 102 D HA 0.078 4.755 4.640 0.062 0.000 0.222 102 D C -1.941 174.201 176.300 -0.264 0.000 1.145 102 D CA -0.396 53.573 54.000 -0.052 0.000 1.001 102 D CB -0.570 40.324 40.800 0.157 0.000 1.049 102 D HN 0.046 8.357 8.370 -0.098 0.000 0.515 103 I N 1.722 122.052 120.570 -0.401 0.000 2.722 103 I HA 0.763 4.970 4.170 -0.229 -0.173 0.295 103 I C -2.889 173.127 176.117 -0.168 0.000 1.161 103 I CA -2.002 59.075 61.300 -0.371 0.000 1.032 103 I CB 4.108 41.654 38.000 -0.757 0.000 1.244 103 I HN -0.515 7.407 8.210 -0.405 0.044 0.421 104 A N 6.367 129.206 122.820 0.033 0.000 2.556 104 A HA 0.979 5.608 4.320 0.287 -0.136 0.294 104 A C -2.412 175.263 177.584 0.152 0.000 1.091 104 A CA -1.705 50.415 52.037 0.138 0.000 0.704 104 A CB 4.134 23.153 19.000 0.032 0.000 1.300 104 A HN 0.619 8.706 8.150 0.026 0.079 0.406 105 L N -0.782 120.509 121.223 0.114 0.000 2.386 105 L HA 0.820 5.402 4.340 0.129 -0.164 0.271 105 L C -1.656 175.257 176.870 0.071 0.000 0.993 105 L CA -1.320 53.592 54.840 0.121 0.000 0.819 105 L CB 4.215 46.309 42.059 0.060 0.000 1.294 105 L HN 0.542 8.723 8.230 0.098 0.108 0.414 106 L N 1.823 123.084 121.223 0.063 0.000 2.356 106 L HA 0.677 5.091 4.340 -0.180 -0.182 0.277 106 L C -1.674 175.071 176.870 -0.209 0.000 0.996 106 L CA -0.880 53.880 54.840 -0.134 0.000 0.822 106 L CB 2.866 44.787 42.059 -0.231 0.000 1.256 106 L HN 0.971 9.283 8.230 0.137 0.000 0.413 107 K N 4.567 124.687 120.400 -0.467 0.000 2.183 107 K HA 0.833 4.655 4.320 -1.176 -0.208 0.274 107 K C -0.895 175.406 176.600 -0.498 0.000 1.009 107 K CA -1.462 54.270 56.287 -0.924 0.000 0.888 107 K CB 2.376 34.174 32.500 -1.170 0.000 1.078 107 K HN 0.744 8.672 8.250 -0.354 0.110 0.459 108 I N 0.649 120.940 120.570 -0.466 0.000 2.648 108 I HA 1.025 5.269 4.170 -0.177 -0.180 0.304 108 I C -1.296 174.730 176.117 -0.151 0.000 1.009 108 I CA -2.626 58.503 61.300 -0.284 0.000 1.114 108 I CB 3.079 40.791 38.000 -0.481 0.000 1.293 108 I HN 0.235 8.100 8.210 -0.575 0.000 0.449 109 R N 2.880 123.420 120.500 0.067 0.000 2.740 109 R HA 0.466 4.877 4.340 0.118 0.000 0.273 109 R C -0.495 175.936 176.300 0.218 0.000 0.998 109 R CA -1.630 54.540 56.100 0.117 0.000 0.900 109 R CB 4.168 34.467 30.300 -0.003 0.000 1.223 109 R HN -0.036 8.302 8.270 0.114 0.000 0.466 110 R N 0.264 120.785 120.500 0.035 0.000 2.211 110 R HA -0.331 4.030 4.340 0.035 0.000 0.329 110 R C -0.884 175.494 176.300 0.130 0.000 0.985 110 R CA 1.359 57.495 56.100 0.059 0.000 1.039 110 R CB -0.372 29.960 30.300 0.053 0.000 0.784 110 R HN 0.355 8.643 8.270 0.029 0.000 0.425 111 c N -1.255 117.409 118.600 0.108 0.000 2.589 111 c HA 0.133 4.757 4.570 0.090 0.000 0.409 111 c C 0.439 174.653 174.090 0.206 0.000 1.851 111 c CA -1.414 54.968 56.329 0.090 0.000 1.823 111 c CB 1.388 43.882 42.510 -0.027 0.000 1.985 111 c HN 0.103 8.376 8.230 0.071 0.000 0.472 112 A N 0.099 122.950 122.820 0.052 0.000 2.425 112 A HA -0.050 4.545 4.320 0.457 0.000 0.242 112 A C -0.936 176.730 177.584 0.137 0.000 1.077 112 A CA 0.513 52.649 52.037 0.164 0.000 0.781 112 A CB 0.874 19.871 19.000 -0.006 0.000 1.020 112 A HN 0.236 8.308 8.150 -0.130 0.000 0.494 113 Q N -0.009 119.885 119.800 0.156 0.000 2.377 113 Q HA 0.392 4.783 4.340 0.086 0.000 0.271 113 Q C -2.574 173.484 176.000 0.097 0.000 1.077 113 Q CA -3.165 52.701 55.803 0.104 0.000 0.820 113 Q CB 1.050 29.843 28.738 0.091 0.000 1.347 113 Q HN 0.113 8.507 8.270 0.206 0.000 0.444 114 P HA 0.083 4.710 4.420 0.088 -0.154 0.275 114 P C -1.224 176.117 177.300 0.069 0.000 1.227 114 P CA -0.472 62.674 63.100 0.078 0.000 0.781 114 P CB 0.889 32.631 31.700 0.069 0.000 0.906 115 S N 4.098 119.838 115.700 0.067 0.000 2.790 115 S HA 0.397 4.896 4.470 0.048 0.000 0.292 115 S C 0.213 174.840 174.600 0.045 0.000 1.197 115 S CA -1.466 56.767 58.200 0.054 0.000 0.851 115 S CB 1.739 64.975 63.200 0.059 0.000 1.217 115 S HN 0.011 8.365 8.310 0.073 0.000 0.526 116 R N -3.033 117.487 120.500 0.033 0.000 2.307 116 R HA 0.024 4.377 4.340 0.021 0.000 0.199 116 R C 0.108 176.411 176.300 0.006 0.000 1.000 116 R CA 1.785 57.896 56.100 0.019 0.000 1.023 116 R CB -0.258 30.050 30.300 0.012 0.000 0.908 116 R HN 0.488 8.777 8.270 0.033 0.000 0.473 117 T N -4.548 110.018 114.554 0.020 0.000 3.040 117 T HA 0.223 4.557 4.350 -0.026 0.000 0.266 117 T C -1.055 173.662 174.700 0.029 0.000 1.005 117 T CA -0.069 62.038 62.100 0.010 0.000 0.906 117 T CB 1.359 70.246 68.868 0.031 0.000 1.082 117 T HN -0.473 7.743 8.240 0.036 0.046 0.531 118 I N 1.855 122.458 120.570 0.054 0.000 2.468 118 I HA 0.531 4.966 4.170 0.089 -0.211 0.285 118 I C -2.553 173.625 176.117 0.102 0.000 1.039 118 I CA -0.871 60.483 61.300 0.089 0.000 1.074 118 I CB 2.324 40.396 38.000 0.120 0.000 1.228 118 I HN -0.713 7.416 8.210 0.052 0.112 0.436 119 Q N 7.384 127.271 119.800 0.145 0.000 2.462 119 Q HA 0.377 4.821 4.340 0.173 0.000 0.285 119 Q C -2.377 173.824 176.000 0.336 0.000 1.035 119 Q CA -1.593 54.345 55.803 0.225 0.000 0.799 119 Q CB 4.779 33.680 28.738 0.272 0.000 1.452 119 Q HN 0.232 8.488 8.270 0.146 0.102 0.404 120 T N -1.270 113.449 114.554 0.274 0.000 2.881 120 T HA 0.491 5.122 4.350 0.240 -0.137 0.278 120 T C -0.576 174.220 174.700 0.160 0.000 0.982 120 T CA -1.423 60.805 62.100 0.213 0.000 0.989 120 T CB 1.647 70.577 68.868 0.103 0.000 1.058 120 T HN 0.068 8.437 8.240 0.214 0.000 0.529 121 I N 0.170 120.700 120.570 -0.068 0.000 2.797 121 I HA 0.211 3.962 4.170 -0.699 0.000 0.307 121 I C -1.468 174.491 176.117 -0.264 0.000 1.033 121 I CA -2.378 58.621 61.300 -0.502 0.000 1.071 121 I CB 3.698 41.159 38.000 -0.899 0.000 1.255 121 I HN -0.013 8.191 8.210 -0.010 0.000 0.445 122 C N 6.124 125.255 119.300 -0.282 0.000 2.459 122 C HA 0.233 4.629 4.460 -0.106 0.000 0.374 122 C C -0.832 174.079 174.990 -0.132 0.000 1.241 122 C CA 0.010 58.935 59.018 -0.155 0.000 2.352 122 C CB 0.577 28.239 27.740 -0.129 0.000 2.490 122 C HN -0.089 7.904 8.230 -0.395 0.000 0.583 123 L N 1.441 122.616 121.223 -0.081 0.000 2.375 123 L HA 0.333 4.638 4.340 -0.059 0.000 0.268 123 L C -0.624 176.218 176.870 -0.045 0.000 1.058 123 L CA -2.383 52.424 54.840 -0.055 0.000 0.803 123 L CB -0.049 41.989 42.059 -0.035 0.000 1.212 123 L HN 0.230 8.419 8.230 -0.067 0.000 0.451 124 P HA 0.131 4.536 4.420 -0.025 0.000 0.277 124 P C -1.302 175.987 177.300 -0.019 0.000 1.271 124 P CA -0.973 62.116 63.100 -0.020 0.000 0.795 124 P CB 0.933 32.632 31.700 -0.002 0.000 1.101 125 S N -1.747 113.947 115.700 -0.011 0.000 2.672 125 S HA 0.159 4.620 4.470 -0.016 0.000 0.276 125 S C 0.654 175.243 174.600 -0.018 0.000 1.207 125 S CA -1.317 56.877 58.200 -0.009 0.000 1.002 125 S CB 1.279 64.481 63.200 0.004 0.000 0.998 125 S HN 0.062 8.370 8.310 -0.003 0.000 0.542 126 M N 1.367 120.953 119.600 -0.023 0.000 2.243 126 M HA -0.517 3.821 4.480 -0.238 0.000 0.365 126 M C -0.564 175.754 176.300 0.030 0.000 1.327 126 M CA 2.126 57.386 55.300 -0.067 0.000 0.918 126 M CB -0.429 32.211 32.600 0.068 0.000 1.894 126 M HN 0.199 8.484 8.290 -0.008 0.000 0.473 127 Y N -3.243 117.013 120.300 -0.073 0.000 3.769 127 Y HA -0.465 4.029 4.550 -0.095 0.000 0.214 127 Y C -0.980 174.941 175.900 0.035 0.000 1.142 127 Y CA 1.460 59.506 58.100 -0.089 0.000 1.543 127 Y CB -2.779 35.555 38.460 -0.210 0.000 1.467 127 Y HN 0.051 7.866 8.280 -0.775 0.000 0.620 128 N N 0.190 118.958 118.700 0.114 0.000 2.437 128 N HA 0.051 4.855 4.740 0.106 0.000 0.259 128 N C -1.367 174.195 175.510 0.086 0.000 0.983 128 N CA -0.313 52.792 53.050 0.092 0.000 0.937 128 N CB 1.003 39.521 38.487 0.051 0.000 1.122 128 N HN -0.636 7.721 8.380 0.052 0.054 0.499 129 D N 5.926 126.384 120.400 0.096 0.000 2.450 129 D HA 0.356 5.031 4.640 0.057 0.000 0.238 129 D C -2.139 174.186 176.300 0.041 0.000 1.020 129 D CA -1.823 52.222 54.000 0.076 0.000 1.010 129 D CB 1.645 42.514 40.800 0.115 0.000 1.342 129 D HN -0.121 8.312 8.370 0.105 0.000 0.530 130 P HA 0.047 4.455 4.420 -0.019 0.000 0.275 130 P C -1.917 175.379 177.300 -0.007 0.000 1.266 130 P CA -0.093 62.999 63.100 -0.013 0.000 0.793 130 P CB 1.099 32.778 31.700 -0.035 0.000 1.074 131 Q N -0.357 119.405 119.800 -0.062 0.000 2.227 131 Q HA 0.201 4.539 4.340 -0.004 0.000 0.245 131 Q C 0.338 176.246 176.000 -0.153 0.000 0.926 131 Q CA -1.141 54.591 55.803 -0.119 0.000 0.895 131 Q CB 2.227 30.810 28.738 -0.257 0.000 1.230 131 Q HN 0.222 8.441 8.270 -0.085 0.000 0.450 132 F N 0.489 120.426 119.950 -0.022 0.000 2.595 132 F HA -0.516 3.977 4.527 -0.058 0.000 0.359 132 F C 0.490 176.264 175.800 -0.043 0.000 1.147 132 F CA 0.205 58.178 58.000 -0.043 0.000 1.341 132 F CB -0.192 38.782 39.000 -0.044 0.000 1.104 132 F HN 0.190 8.587 8.300 0.162 0.000 0.603 133 G N 2.969 111.791 108.800 0.037 0.000 2.349 133 G HA2 -0.382 3.588 3.960 0.016 0.000 0.213 133 G HA3 -0.382 3.505 3.960 -0.123 0.000 0.213 133 G C -0.641 174.213 174.900 -0.075 0.000 1.044 133 G CA -0.008 45.067 45.100 -0.042 0.000 0.633 133 G HN 0.881 9.109 8.290 0.093 0.118 0.506 134 T N 5.048 119.545 114.554 -0.095 0.000 2.946 134 T HA -0.289 4.010 4.350 -0.085 0.000 0.312 134 T C -0.876 173.779 174.700 -0.074 0.000 1.066 134 T CA 2.388 64.438 62.100 -0.083 0.000 1.138 134 T CB 0.457 69.278 68.868 -0.079 0.000 1.014 134 T HN -0.442 7.645 8.240 -0.116 0.083 0.544 135 S N 3.946 119.605 115.700 -0.069 0.000 2.480 135 S HA 0.700 5.310 4.470 -0.080 -0.188 0.286 135 S C -0.329 174.230 174.600 -0.069 0.000 1.180 135 S CA -0.276 57.881 58.200 -0.070 0.000 1.075 135 S CB 1.287 64.451 63.200 -0.060 0.000 0.996 135 S HN 0.043 8.315 8.310 -0.064 0.000 0.487 136 c N 3.859 122.410 118.600 -0.082 0.000 2.913 136 c HA 0.564 5.159 4.570 -0.057 -0.059 0.322 136 c C -1.574 172.476 174.090 -0.067 0.000 1.292 136 c CA -1.595 54.686 56.329 -0.079 0.000 1.649 136 c CB 4.552 46.989 42.510 -0.121 0.000 2.139 136 c HN 1.074 9.248 8.230 -0.094 0.000 0.475 137 E N -1.126 119.052 120.200 -0.037 0.000 2.277 137 E HA 1.095 5.582 4.350 -0.039 -0.161 0.266 137 E C -1.096 175.504 176.600 -0.000 0.000 0.901 137 E CA -2.352 54.036 56.400 -0.019 0.000 0.782 137 E CB 3.033 32.737 29.700 0.007 0.000 1.228 137 E HN 0.767 9.113 8.360 -0.023 0.000 0.424 138 I N -5.465 115.105 120.570 -0.000 0.000 2.785 138 I HA 1.122 5.575 4.170 0.080 -0.234 0.302 138 I C -1.374 174.734 176.117 -0.015 0.000 1.069 138 I CA -2.512 58.812 61.300 0.041 0.000 1.045 138 I CB 3.761 41.812 38.000 0.086 0.000 1.236 138 I HN 0.448 8.646 8.210 -0.021 0.000 0.429 139 T N 1.205 115.742 114.554 -0.028 0.000 2.896 139 T HA 0.739 5.089 4.350 -0.240 -0.144 0.297 139 T C -1.286 173.218 174.700 -0.326 0.000 1.108 139 T CA -2.215 59.744 62.100 -0.236 0.000 1.004 139 T CB 2.400 71.092 68.868 -0.293 0.000 1.159 139 T HN -0.223 8.055 8.240 0.063 0.000 0.499 140 G N 2.191 110.650 108.800 -0.568 0.000 2.320 140 G HA2 0.217 3.750 3.960 -0.712 0.000 0.297 140 G HA3 0.217 4.247 3.960 -0.140 -0.154 0.297 140 G C -2.507 172.086 174.900 -0.511 0.000 1.344 140 G CA 0.632 45.444 45.100 -0.480 0.000 0.851 140 G HN 0.148 8.070 8.290 -0.613 0.000 0.567 141 F N -0.027 119.818 119.950 -0.176 0.000 2.708 141 F HA 0.388 4.799 4.527 -0.193 0.000 0.300 141 F C 0.475 176.084 175.800 -0.318 0.000 1.118 141 F CA -1.598 56.238 58.000 -0.273 0.000 1.307 141 F CB 0.587 39.258 39.000 -0.549 0.000 0.986 141 F HN 0.508 8.825 8.300 0.028 0.000 0.522 142 G N -0.073 108.684 108.800 -0.073 0.000 2.616 142 G HA2 0.095 3.817 3.960 -0.398 0.000 0.268 142 G HA3 0.095 4.292 3.960 -0.019 -0.248 0.268 142 G C -1.116 173.844 174.900 0.099 0.000 1.213 142 G CA -0.566 44.481 45.100 -0.089 0.000 0.926 142 G HN -0.370 8.030 8.290 -0.052 -0.142 0.523 143 K N -0.850 119.693 120.400 0.239 0.000 2.494 143 K HA -0.316 4.172 4.320 0.279 0.000 0.273 143 K C -0.232 176.437 176.600 0.115 0.000 0.970 143 K CA 1.696 58.120 56.287 0.229 0.000 0.963 143 K CB 0.326 32.954 32.500 0.213 0.000 0.913 143 K HN -0.078 8.340 8.250 0.280 0.000 0.502 144 E N -1.398 118.858 120.200 0.093 0.000 2.415 144 E HA 0.139 4.793 4.350 0.017 -0.295 0.197 144 E C -0.557 176.068 176.600 0.041 0.000 1.007 144 E CA 0.794 57.220 56.400 0.044 0.000 0.890 144 E CB 1.455 31.181 29.700 0.043 0.000 0.891 144 E HN -0.157 8.415 8.360 0.108 -0.147 0.496 145 A N -1.998 120.857 122.820 0.058 0.000 2.517 145 A HA 0.341 4.691 4.320 0.049 0.000 0.297 145 A C 0.004 177.630 177.584 0.069 0.000 1.050 145 A CA -0.766 51.303 52.037 0.054 0.000 0.694 145 A CB 1.663 20.690 19.000 0.045 0.000 1.277 145 A HN -0.609 7.647 8.150 0.073 -0.062 0.400 146 S N 2.357 118.098 115.700 0.068 0.000 2.420 146 S HA -0.371 4.152 4.470 0.089 0.000 0.237 146 S C 1.274 175.923 174.600 0.081 0.000 1.023 146 S CA 3.399 61.645 58.200 0.077 0.000 0.991 146 S CB 0.035 63.274 63.200 0.065 0.000 0.792 146 S HN 0.679 9.025 8.310 0.060 0.000 0.488 147 T N -4.122 110.477 114.554 0.076 0.000 3.100 147 T HA -0.007 4.398 4.350 0.092 0.000 0.253 147 T C 0.270 175.043 174.700 0.122 0.000 1.118 147 T CA -0.152 62.003 62.100 0.092 0.000 1.058 147 T CB -0.125 68.790 68.868 0.078 0.000 0.953 147 T HN -0.415 7.835 8.240 0.067 0.031 0.515 148 D N 3.190 123.642 120.400 0.086 0.000 2.382 148 D HA -0.055 4.588 4.640 0.005 0.000 0.240 148 D C -0.395 175.951 176.300 0.077 0.000 1.146 148 D CA 0.275 54.294 54.000 0.032 0.000 0.897 148 D CB 1.031 41.825 40.800 -0.011 0.000 1.197 148 D HN -0.172 8.068 8.370 0.077 0.176 0.432 149 Y N -3.817 116.479 120.300 -0.007 0.000 2.641 149 Y HA 0.217 4.735 4.550 -0.053 0.000 0.248 149 Y C -1.750 174.083 175.900 -0.112 0.000 1.170 149 Y CA -1.004 57.066 58.100 -0.049 0.000 1.201 149 Y CB 0.374 38.814 38.460 -0.033 0.000 1.232 149 Y HN 0.045 7.998 8.280 -0.545 0.000 0.537 150 L N -1.047 119.973 121.223 -0.338 0.000 2.327 150 L HA 0.222 4.390 4.340 -0.286 0.000 0.258 150 L C -1.029 175.757 176.870 -0.139 0.000 1.024 150 L CA -1.384 53.281 54.840 -0.291 0.000 0.825 150 L CB 3.349 45.239 42.059 -0.281 0.000 1.386 150 L HN -0.835 7.123 8.230 -0.335 0.071 0.417 151 Y N -0.163 120.132 120.300 -0.008 0.000 2.420 151 Y HA 0.372 4.950 4.550 0.045 0.000 0.334 151 Y C -1.674 174.237 175.900 0.019 0.000 1.094 151 Y CA -3.243 54.874 58.100 0.027 0.000 1.126 151 Y CB 0.324 38.806 38.460 0.036 0.000 1.217 151 Y HN 0.122 8.364 8.280 -0.063 0.000 0.462 152 P HA 0.005 4.512 4.420 0.144 0.000 0.271 152 P C -1.177 176.223 177.300 0.166 0.000 1.233 152 P CA -0.567 62.655 63.100 0.203 0.000 0.789 152 P CB 0.880 32.758 31.700 0.297 0.000 0.951 153 E N -2.489 117.777 120.200 0.109 0.000 2.340 153 E HA -0.018 4.306 4.350 -0.044 0.000 0.194 153 E C -0.340 176.342 176.600 0.137 0.000 0.996 153 E CA 1.097 57.518 56.400 0.035 0.000 0.869 153 E CB 0.599 30.285 29.700 -0.023 0.000 0.835 153 E HN 0.384 8.801 8.360 0.095 0.000 0.493 154 Q N -0.808 119.113 119.800 0.203 0.000 2.245 154 Q HA 0.198 4.678 4.340 0.232 0.000 0.256 154 Q C -0.211 176.001 176.000 0.353 0.000 0.942 154 Q CA -1.181 54.769 55.803 0.244 0.000 0.896 154 Q CB 1.503 30.245 28.738 0.007 0.000 1.272 154 Q HN -0.525 7.828 8.270 0.191 0.031 0.442 155 L N 7.075 128.394 121.223 0.160 0.000 2.485 155 L HA -0.022 3.809 4.340 -0.847 0.000 0.275 155 L C -1.352 175.405 176.870 -0.187 0.000 1.207 155 L CA 0.918 55.524 54.840 -0.391 0.000 0.855 155 L CB 0.862 42.597 42.059 -0.541 0.000 1.114 155 L HN 0.181 8.528 8.230 0.195 0.000 0.485 156 K N 3.948 124.153 120.400 -0.324 0.000 2.395 156 K HA 0.897 5.227 4.320 -0.220 -0.141 0.245 156 K C -1.620 174.803 176.600 -0.295 0.000 1.017 156 K CA -1.804 54.318 56.287 -0.275 0.000 0.852 156 K CB 4.108 36.419 32.500 -0.316 0.000 1.311 156 K HN 0.279 8.234 8.250 -0.493 0.000 0.452 157 M N -0.804 118.657 119.600 -0.233 0.000 2.644 157 M HA 0.886 5.434 4.480 -0.177 -0.175 0.273 157 M C -2.417 173.800 176.300 -0.137 0.000 1.253 157 M CA -0.432 54.762 55.300 -0.176 0.000 0.852 157 M CB 4.812 37.317 32.600 -0.158 0.000 1.708 157 M HN 0.339 8.486 8.290 -0.238 0.000 0.471 158 T N 0.054 114.550 114.554 -0.096 0.000 2.769 158 T HA 0.363 4.660 4.350 -0.087 0.000 0.306 158 T C -2.492 172.172 174.700 -0.060 0.000 1.400 158 T CA -1.081 60.971 62.100 -0.081 0.000 1.007 158 T CB 2.910 71.731 68.868 -0.078 0.000 1.392 158 T HN 0.269 8.460 8.240 -0.081 0.000 0.500 159 V N 3.490 123.368 119.914 -0.060 0.000 2.513 159 V HA 0.809 5.088 4.120 -0.056 -0.193 0.299 159 V C -1.285 174.766 176.094 -0.071 0.000 1.035 159 V CA -0.922 61.342 62.300 -0.060 0.000 0.889 159 V CB 2.253 34.043 31.823 -0.055 0.000 0.988 159 V HN 0.344 8.496 8.190 -0.064 0.000 0.440 160 V N 6.422 126.287 119.914 -0.082 0.000 3.130 160 V HA 0.324 4.382 4.120 -0.103 0.000 0.310 160 V C -2.355 173.673 176.094 -0.111 0.000 1.158 160 V CA -2.304 59.937 62.300 -0.098 0.000 1.029 160 V CB 5.500 37.276 31.823 -0.079 0.000 1.057 160 V HN 1.048 9.188 8.190 -0.084 0.000 0.436 161 K N 2.303 122.632 120.400 -0.119 0.000 2.156 161 K HA 0.746 5.206 4.320 -0.093 -0.196 0.254 161 K C -0.792 175.753 176.600 -0.092 0.000 0.950 161 K CA -2.175 54.052 56.287 -0.100 0.000 0.849 161 K CB 2.961 35.406 32.500 -0.092 0.000 1.100 161 K HN 0.546 8.606 8.250 -0.137 0.108 0.434 162 L N 1.093 122.274 121.223 -0.070 0.000 2.371 162 L HA 0.238 4.665 4.340 -0.083 -0.137 0.272 162 L C 0.250 177.130 176.870 0.017 0.000 1.124 162 L CA -0.165 54.646 54.840 -0.049 0.000 0.816 162 L CB 0.347 42.386 42.059 -0.034 0.000 1.129 162 L HN 0.309 8.499 8.230 -0.066 0.000 0.448 163 I N -3.308 117.261 120.570 -0.001 0.000 3.023 163 I HA 0.458 4.672 4.170 0.074 0.000 0.312 163 I C -1.156 174.915 176.117 -0.077 0.000 1.056 163 I CA -1.945 59.357 61.300 0.003 0.000 1.033 163 I CB 2.784 40.779 38.000 -0.007 0.000 1.233 163 I HN -0.071 8.118 8.210 -0.036 0.000 0.462 164 S N -0.549 115.030 115.700 -0.201 0.000 2.624 164 S HA -0.010 4.349 4.470 -0.184 0.000 0.263 164 S C 0.969 175.410 174.600 -0.265 0.000 1.287 164 S CA -0.141 57.888 58.200 -0.286 0.000 0.990 164 S CB 1.357 64.234 63.200 -0.537 0.000 0.950 164 S HN 0.404 8.562 8.310 -0.253 0.000 0.561 165 H N 2.507 121.530 119.070 -0.079 0.000 2.403 165 H HA -0.140 4.411 4.556 -0.009 0.000 0.298 165 H C 2.322 177.603 175.328 -0.078 0.000 1.059 165 H CA 4.559 60.584 56.048 -0.038 0.000 1.363 165 H CB -0.061 29.697 29.762 -0.006 0.000 1.410 165 H HN 0.709 8.998 8.280 0.015 0.000 0.528 166 R N -0.284 120.211 120.500 -0.009 0.000 2.096 166 R HA -0.346 3.978 4.340 -0.027 0.000 0.240 166 R C 2.258 178.462 176.300 -0.161 0.000 1.139 166 R CA 3.202 59.258 56.100 -0.074 0.000 0.952 166 R CB -0.747 29.486 30.300 -0.111 0.000 0.854 166 R HN 0.346 8.615 8.270 -0.000 0.000 0.436 167 E N -1.396 118.659 120.200 -0.241 0.000 2.051 167 E HA -0.300 3.806 4.350 -0.407 0.000 0.192 167 E C 2.029 178.274 176.600 -0.592 0.000 0.991 167 E CA 2.784 58.944 56.400 -0.400 0.000 0.799 167 E CB -0.052 29.448 29.700 -0.335 0.000 0.748 167 E HN -0.613 7.603 8.360 -0.238 0.000 0.449 168 c N -1.492 116.929 118.600 -0.297 0.000 2.446 168 c HA -0.251 4.279 4.570 -0.067 0.000 0.279 168 c C 0.075 174.167 174.090 0.002 0.000 1.366 168 c CA 1.594 57.866 56.329 -0.095 0.000 1.763 168 c CB -1.140 41.403 42.510 0.054 0.000 1.929 168 c HN -0.437 7.669 8.230 -0.208 0.000 0.509 169 Q N -0.270 119.519 119.800 -0.018 0.000 2.681 169 Q HA 0.236 4.841 4.340 0.146 -0.178 0.222 169 Q C 0.468 176.472 176.000 0.006 0.000 1.258 169 Q CA -1.060 54.781 55.803 0.063 0.000 1.014 169 Q CB -1.630 27.159 28.738 0.084 0.000 1.384 169 Q HN 0.039 8.149 8.270 -0.062 0.123 0.570 170 H N -0.279 118.853 119.070 0.104 0.000 2.812 170 H HA -0.455 4.116 4.556 0.025 0.000 0.337 170 H C -0.510 174.853 175.328 0.059 0.000 0.895 170 H CA 1.912 58.005 56.048 0.075 0.000 1.192 170 H CB -1.244 28.553 29.762 0.059 0.000 1.416 170 H HN 0.263 8.898 8.280 0.592 0.000 0.362 171 Y N -1.574 118.522 120.300 -0.340 0.000 2.710 171 Y HA 0.425 4.852 4.550 -0.581 -0.225 0.117 171 Y C 0.927 176.599 175.900 -0.380 0.000 0.875 171 Y CA -0.937 56.865 58.100 -0.497 0.000 1.795 171 Y CB 1.565 39.756 38.460 -0.447 0.000 1.154 171 Y HN -0.511 7.822 8.280 0.088 0.000 0.308 172 Y N -4.271 116.152 120.300 0.205 0.000 2.500 172 Y HA 0.041 4.688 4.550 0.160 0.000 0.246 172 Y C 0.199 176.188 175.900 0.149 0.000 1.146 172 Y CA -0.579 57.628 58.100 0.179 0.000 1.230 172 Y CB 1.682 40.286 38.460 0.239 0.000 1.214 172 Y HN -0.298 8.097 8.280 0.192 0.000 0.526 173 G N 0.109 109.053 108.800 0.241 0.000 2.564 173 G HA2 -0.472 3.716 3.960 0.129 0.000 0.273 173 G HA3 -0.472 3.582 3.960 0.156 0.000 0.273 173 G C 0.071 175.078 174.900 0.179 0.000 1.242 173 G CA 0.956 46.158 45.100 0.171 0.000 0.951 173 G HN -0.577 7.831 8.290 0.196 0.000 0.564 174 S N 0.685 116.469 115.700 0.139 0.000 2.701 174 S HA -0.073 4.476 4.470 0.131 0.000 0.220 174 S C 0.113 174.802 174.600 0.149 0.000 0.954 174 S CA 0.571 58.847 58.200 0.127 0.000 0.936 174 S CB -0.564 62.686 63.200 0.083 0.000 0.777 174 S HN 0.288 8.668 8.310 0.116 0.000 0.518 175 E N 0.296 120.607 120.200 0.185 0.000 2.274 175 E HA -0.161 4.250 4.350 0.102 0.000 0.194 175 E C -0.648 176.095 176.600 0.239 0.000 0.996 175 E CA 0.956 57.449 56.400 0.154 0.000 0.840 175 E CB 0.351 30.122 29.700 0.120 0.000 0.772 175 E HN -0.411 7.979 8.360 0.220 0.102 0.491 176 V N -0.242 119.848 119.914 0.292 0.000 2.439 176 V HA 0.028 4.356 4.120 0.347 0.000 0.282 176 V C -0.483 175.755 176.094 0.240 0.000 1.039 176 V CA -0.065 62.416 62.300 0.301 0.000 0.913 176 V CB 0.518 32.519 31.823 0.297 0.000 0.983 176 V HN -0.908 7.412 8.190 0.283 0.040 0.460 177 T N 2.883 117.571 114.554 0.224 0.000 2.870 177 T HA 0.383 4.801 4.350 0.113 0.000 0.277 177 T C 0.810 175.552 174.700 0.070 0.000 1.000 177 T CA -1.974 60.213 62.100 0.145 0.000 0.982 177 T CB 1.987 70.957 68.868 0.170 0.000 1.249 177 T HN -0.277 8.110 8.240 0.245 0.000 0.589 178 T N -5.688 108.837 114.554 -0.048 0.000 3.118 178 T HA -0.113 3.916 4.350 -0.536 0.000 0.260 178 T C 0.760 175.363 174.700 -0.160 0.000 1.139 178 T CA 1.619 63.587 62.100 -0.221 0.000 1.085 178 T CB -0.333 68.448 68.868 -0.146 0.000 0.934 178 T HN 0.186 8.418 8.240 -0.014 0.000 0.518 179 K N 0.233 120.628 120.400 -0.008 0.000 2.387 179 K HA 0.187 4.418 4.320 -0.150 0.000 0.198 179 K C -1.560 175.129 176.600 0.149 0.000 1.022 179 K CA -0.451 55.854 56.287 0.031 0.000 1.128 179 K CB 0.266 32.846 32.500 0.134 0.000 0.853 179 K HN -0.567 7.646 8.250 0.058 0.072 0.523 180 M N -1.685 118.008 119.600 0.155 0.000 2.716 180 M HA 0.745 5.491 4.480 0.180 -0.158 0.307 180 M C -1.830 174.602 176.300 0.220 0.000 1.223 180 M CA -0.741 54.673 55.300 0.189 0.000 0.871 180 M CB 5.285 38.002 32.600 0.194 0.000 1.739 180 M HN -0.540 7.649 8.290 0.143 0.187 0.475 181 L N -3.089 118.221 121.223 0.145 0.000 2.371 181 L HA 0.489 4.803 4.340 -0.044 0.000 0.262 181 L C -1.890 175.021 176.870 0.068 0.000 1.006 181 L CA -1.347 53.527 54.840 0.057 0.000 0.818 181 L CB 4.938 47.024 42.059 0.045 0.000 1.354 181 L HN 0.348 8.667 8.230 0.147 0.000 0.415 182 c N -0.285 118.306 118.600 -0.014 0.000 2.561 182 c HA 0.990 5.831 4.570 0.149 -0.182 0.319 182 c C -1.317 172.798 174.090 0.041 0.000 1.198 182 c CA -1.245 55.125 56.329 0.068 0.000 1.665 182 c CB 2.744 45.286 42.510 0.053 0.000 2.258 182 c HN 0.824 8.977 8.230 -0.128 0.000 0.493 183 A N 1.845 124.731 122.820 0.109 0.000 2.488 183 A HA 1.059 5.494 4.320 -0.050 -0.145 0.298 183 A C -2.650 174.955 177.584 0.036 0.000 1.044 183 A CA -0.908 51.121 52.037 -0.012 0.000 0.693 183 A CB 3.474 22.340 19.000 -0.224 0.000 1.272 183 A HN 0.433 8.725 8.150 0.237 0.000 0.402 184 A N 1.145 123.921 122.820 -0.072 0.000 4.208 184 A HA 0.515 4.798 4.320 -0.063 0.000 0.243 184 A C -0.391 177.020 177.584 -0.289 0.000 0.946 184 A CA -0.660 51.273 52.037 -0.174 0.000 0.652 184 A CB 2.347 21.133 19.000 -0.356 0.000 1.617 184 A HN 0.753 8.840 8.150 -0.105 0.000 0.824 185 Q N -0.971 118.629 119.800 -0.334 0.000 2.068 185 Q HA -0.477 3.839 4.340 -0.040 0.000 0.257 185 Q C -0.785 175.194 176.000 -0.036 0.000 0.955 185 Q CA 0.940 56.660 55.803 -0.138 0.000 0.982 185 Q CB -1.498 27.216 28.738 -0.040 0.000 1.450 185 Q HN 0.551 8.652 8.270 -0.282 0.000 0.605 186 W N -8.488 112.801 121.300 -0.018 0.000 6.554 186 W HA -0.351 4.292 4.660 -0.028 0.000 0.398 186 W C -1.217 175.290 176.519 -0.021 0.000 1.492 186 W CA 0.027 57.355 57.345 -0.028 0.000 1.078 186 W CB -2.667 26.766 29.460 -0.044 0.000 2.653 186 W HN 0.103 7.714 8.180 -0.948 0.000 1.591 187 K N -3.566 116.871 120.400 0.062 0.000 2.313 187 K HA 0.083 4.446 4.320 0.071 0.000 0.197 187 K C 0.129 176.742 176.600 0.021 0.000 1.061 187 K CA 0.042 56.355 56.287 0.043 0.000 0.980 187 K CB 1.921 34.425 32.500 0.007 0.000 0.888 187 K HN -0.211 8.273 8.250 -0.033 -0.253 0.502 188 T N -2.264 112.289 114.554 -0.001 0.000 2.916 188 T HA 0.387 4.885 4.350 -0.002 -0.149 0.292 188 T C -2.341 172.367 174.700 0.014 0.000 1.055 188 T CA -1.490 60.605 62.100 -0.008 0.000 1.009 188 T CB 2.463 71.307 68.868 -0.040 0.000 1.118 188 T HN -0.734 7.627 8.240 -0.022 -0.135 0.497 189 D N 1.732 122.147 120.400 0.025 0.000 2.804 189 D HA 0.226 4.906 4.640 0.067 0.000 0.309 189 D C -1.991 174.344 176.300 0.057 0.000 1.311 189 D CA -0.843 53.192 54.000 0.060 0.000 0.765 189 D CB 2.432 43.284 40.800 0.087 0.000 1.293 189 D HN -0.332 8.043 8.370 0.009 0.000 0.434 190 S N -1.590 114.159 115.700 0.081 0.000 2.672 190 S HA 0.205 4.787 4.470 0.051 -0.082 0.276 190 S C -1.582 173.048 174.600 0.051 0.000 1.207 190 S CA -0.214 58.024 58.200 0.062 0.000 1.002 190 S CB 1.398 64.637 63.200 0.064 0.000 0.998 190 S HN 0.305 8.678 8.310 0.104 0.000 0.542 191 c N -1.343 117.292 118.600 0.057 0.000 3.316 191 c HA 0.263 4.879 4.570 0.076 0.000 0.360 191 c C -1.415 172.739 174.090 0.105 0.000 1.560 191 c CA -0.762 55.615 56.329 0.080 0.000 1.229 191 c CB 3.316 45.879 42.510 0.089 0.000 1.823 191 c HN 0.443 9.011 8.230 0.055 -0.305 0.440 192 Q N 1.869 121.754 119.800 0.143 0.000 2.283 192 Q HA -0.345 4.100 4.340 0.175 0.000 0.301 192 Q C 0.755 176.891 176.000 0.227 0.000 1.063 192 Q CA 2.352 58.272 55.803 0.196 0.000 0.952 192 Q CB 0.522 29.393 28.738 0.221 0.000 1.166 192 Q HN 0.597 8.949 8.270 0.136 0.000 0.381 193 G N 5.949 114.849 108.800 0.168 0.000 2.232 193 G HA2 -0.370 3.576 3.960 -0.024 0.000 0.226 193 G HA3 -0.370 3.346 3.960 -0.406 0.000 0.226 193 G C 0.218 175.119 174.900 0.001 0.000 0.996 193 G CA 0.644 45.704 45.100 -0.066 0.000 0.626 193 G HN 0.935 9.329 8.290 0.174 0.000 0.509 194 D N 0.788 121.223 120.400 0.058 0.000 2.360 194 D HA 0.112 4.832 4.640 0.134 0.000 0.210 194 D C 0.009 176.364 176.300 0.093 0.000 1.047 194 D CA 0.523 54.578 54.000 0.092 0.000 0.854 194 D CB 0.689 41.531 40.800 0.069 0.000 0.936 194 D HN 0.223 8.557 8.370 0.076 0.082 0.514 195 S N -0.626 115.112 115.700 0.063 0.000 2.599 195 S HA -0.547 4.114 4.470 0.069 -0.150 0.303 195 S C 0.983 175.548 174.600 -0.059 0.000 1.267 195 S CA 2.713 60.928 58.200 0.025 0.000 1.055 195 S CB 0.099 63.298 63.200 -0.001 0.000 0.790 195 S HN -0.305 8.002 8.310 0.077 0.049 0.500 196 G N 4.368 113.137 108.800 -0.052 0.000 2.284 196 G HA2 -0.463 3.459 3.960 -0.065 0.000 0.247 196 G HA3 -0.463 3.554 3.960 -0.122 -0.130 0.247 196 G C -0.118 174.805 174.900 0.038 0.000 1.012 196 G CA 0.182 45.248 45.100 -0.056 0.000 0.618 196 G HN 0.925 9.099 8.290 -0.015 0.107 0.521 197 G N 0.977 109.854 108.800 0.128 0.000 2.616 197 G HA2 0.324 4.411 3.960 0.213 0.000 0.268 197 G HA3 0.324 4.525 3.960 0.402 0.000 0.268 197 G C -2.714 172.328 174.900 0.237 0.000 1.213 197 G CA -1.778 43.478 45.100 0.261 0.000 0.926 197 G HN -0.447 7.825 8.290 0.123 0.091 0.523 198 P HA 0.443 5.107 4.420 0.171 -0.141 0.287 198 P C -1.940 175.468 177.300 0.179 0.000 1.270 198 P CA -1.432 61.799 63.100 0.218 0.000 0.844 198 P CB 2.049 33.896 31.700 0.246 0.000 1.068 199 L N 3.162 124.440 121.223 0.092 0.000 2.345 199 L HA 0.532 5.005 4.340 -0.043 -0.158 0.274 199 L C -2.040 174.804 176.870 -0.043 0.000 0.999 199 L CA -0.967 53.843 54.840 -0.049 0.000 0.849 199 L CB 1.862 43.764 42.059 -0.262 0.000 1.220 199 L HN -0.002 8.278 8.230 0.083 0.000 0.422 200 V N 8.034 127.935 119.914 -0.021 0.000 2.459 200 V HA 0.853 5.159 4.120 -0.077 -0.232 0.295 200 V C -0.980 175.086 176.094 -0.047 0.000 1.029 200 V CA -1.538 60.739 62.300 -0.038 0.000 0.874 200 V CB 2.211 34.048 31.823 0.025 0.000 0.985 200 V HN 0.750 8.940 8.190 -0.000 0.000 0.438 201 c N 5.175 123.736 118.600 -0.066 0.000 3.044 201 c HA 0.456 4.997 4.570 -0.048 0.000 0.315 201 c C -1.352 172.706 174.090 -0.054 0.000 1.320 201 c CA -1.766 54.528 56.329 -0.057 0.000 1.582 201 c CB 4.195 46.666 42.510 -0.065 0.000 2.039 201 c HN 0.784 8.965 8.230 -0.082 0.000 0.466 202 S N 0.918 116.592 115.700 -0.043 0.000 2.457 202 S HA 0.872 5.533 4.470 -0.045 -0.218 0.289 202 S C -0.986 173.590 174.600 -0.039 0.000 1.163 202 S CA -0.410 57.767 58.200 -0.038 0.000 1.078 202 S CB 0.701 63.886 63.200 -0.026 0.000 0.987 202 S HN 0.356 8.641 8.310 -0.041 0.000 0.482 203 L N 4.665 125.865 121.223 -0.039 0.000 2.410 203 L HA 0.363 4.686 4.340 -0.028 0.000 0.270 203 L C -0.640 176.215 176.870 -0.026 0.000 0.983 203 L CA -0.819 54.003 54.840 -0.031 0.000 0.822 203 L CB 3.251 45.293 42.059 -0.029 0.000 1.285 203 L HN 0.849 8.946 8.230 -0.045 0.105 0.409 204 Q N 4.010 123.797 119.800 -0.020 0.000 2.408 204 Q HA -0.425 3.907 4.340 -0.014 0.000 0.290 204 Q C -0.381 175.609 176.000 -0.016 0.000 1.221 204 Q CA 0.953 56.746 55.803 -0.016 0.000 0.895 204 Q CB -1.538 27.193 28.738 -0.013 0.000 1.241 204 Q HN 0.916 9.174 8.270 -0.020 0.000 0.494 205 G N -6.076 102.714 108.800 -0.018 0.000 2.195 205 G HA2 -0.388 3.565 3.960 -0.012 0.000 0.246 205 G HA3 -0.388 3.566 3.960 -0.010 0.000 0.246 205 G C -0.954 173.936 174.900 -0.016 0.000 0.984 205 G CA -0.274 44.818 45.100 -0.014 0.000 0.633 205 G HN 0.021 8.273 8.290 -0.020 0.026 0.525 206 R N -0.215 120.268 120.500 -0.028 0.000 2.787 206 R HA 0.328 4.650 4.340 -0.029 0.000 0.271 206 R C -1.402 174.861 176.300 -0.063 0.000 0.993 206 R CA -1.980 54.095 56.100 -0.041 0.000 0.993 206 R CB 2.141 32.409 30.300 -0.053 0.000 1.155 206 R HN 0.144 8.218 8.270 -0.030 0.178 0.486 207 M N 1.555 121.099 119.600 -0.093 0.000 2.105 207 M HA 0.392 4.973 4.480 -0.086 -0.153 0.350 207 M C -0.413 175.752 176.300 -0.224 0.000 1.308 207 M CA -1.820 53.400 55.300 -0.134 0.000 1.108 207 M CB -0.818 31.692 32.600 -0.151 0.000 1.622 207 M HN 0.726 8.962 8.290 -0.089 0.000 0.468 208 T N 5.036 119.487 114.554 -0.172 0.000 2.888 208 T HA 0.454 4.859 4.350 -0.198 -0.173 0.284 208 T C -1.206 173.395 174.700 -0.166 0.000 1.017 208 T CA -0.907 61.094 62.100 -0.166 0.000 1.022 208 T CB 2.190 71.002 68.868 -0.094 0.000 1.013 208 T HN 1.038 9.203 8.240 -0.125 0.000 0.465 209 L N 5.842 126.967 121.223 -0.163 0.000 2.363 209 L HA 0.055 4.324 4.340 -0.119 0.000 0.286 209 L C -0.556 176.283 176.870 -0.051 0.000 1.106 209 L CA 0.113 54.885 54.840 -0.113 0.000 0.859 209 L CB -0.171 41.832 42.059 -0.093 0.000 1.223 209 L HN 0.471 8.601 8.230 -0.166 0.000 0.446 210 T N 6.737 121.264 114.554 -0.046 0.000 3.031 210 T HA 0.134 4.483 4.350 -0.003 0.000 0.254 210 T C 0.012 174.718 174.700 0.009 0.000 1.060 210 T CA 3.097 65.184 62.100 -0.021 0.000 1.135 210 T CB 1.123 69.960 68.868 -0.051 0.000 0.896 210 T HN 0.441 8.644 8.240 -0.062 0.000 0.472 211 G N -1.919 106.886 108.800 0.009 0.000 2.695 211 G HA2 0.649 4.892 3.960 0.108 0.000 0.290 211 G HA3 0.649 4.662 3.960 0.087 0.000 0.290 211 G C -3.322 171.675 174.900 0.160 0.000 1.410 211 G CA -0.539 44.616 45.100 0.092 0.000 0.844 211 G HN -0.517 7.764 8.290 -0.015 0.000 0.478 212 I N -1.219 119.480 120.570 0.215 0.000 2.465 212 I HA 0.553 5.008 4.170 0.172 -0.182 0.291 212 I C -0.275 175.963 176.117 0.202 0.000 1.014 212 I CA -1.436 59.966 61.300 0.169 0.000 1.093 212 I CB 3.850 41.881 38.000 0.052 0.000 1.267 212 I HN -0.393 8.033 8.210 0.220 -0.083 0.431 213 V N 7.087 127.101 119.914 0.166 0.000 2.493 213 V HA -0.233 3.597 4.120 -0.485 0.000 0.292 213 V C -1.152 174.900 176.094 -0.071 0.000 1.016 213 V CA 2.116 64.368 62.300 -0.081 0.000 1.097 213 V CB -0.979 30.863 31.823 0.032 0.000 0.947 213 V HN 0.610 8.912 8.190 0.187 0.000 0.479 214 S N 7.457 123.046 115.700 -0.185 0.000 3.142 214 S HA 0.405 5.017 4.470 0.236 0.000 0.223 214 S C -1.391 173.342 174.600 0.222 0.000 0.939 214 S CA 1.204 59.466 58.200 0.105 0.000 0.826 214 S CB 2.147 65.440 63.200 0.154 0.000 0.823 214 S HN 0.004 7.999 8.310 -0.525 0.000 0.612 215 W N -3.659 117.566 121.300 -0.125 0.000 2.962 215 W HA 0.288 4.899 4.660 -0.082 0.000 0.405 215 W C -2.468 173.956 176.519 -0.159 0.000 1.121 215 W CA -1.005 56.264 57.345 -0.127 0.000 1.164 215 W CB 1.195 30.545 29.460 -0.182 0.000 1.489 215 W HN -0.473 7.441 8.180 -0.442 0.000 0.599 216 G N -3.537 105.374 108.800 0.184 0.000 2.358 216 G HA2 -0.020 3.822 3.960 -0.196 0.000 0.301 216 G HA3 -0.020 3.928 3.960 -0.019 0.000 0.301 216 G C -2.472 172.568 174.900 0.234 0.000 1.539 216 G CA 0.247 45.375 45.100 0.047 0.000 0.893 216 G HN -0.160 8.404 8.290 0.457 0.000 0.636 220 c N 0.703 119.345 118.600 0.069 0.000 2.608 220 c HA 0.107 4.725 4.570 0.081 0.000 0.325 220 c C -0.586 173.549 174.090 0.075 0.000 1.147 220 c CA -0.433 55.941 56.329 0.075 0.000 1.359 220 c CB 1.469 44.023 42.510 0.073 0.000 1.912 220 c HN 0.242 8.507 8.230 0.057 0.000 0.466 221 A N 3.124 126.004 122.820 0.100 0.000 2.610 221 A HA -0.362 4.114 4.320 0.186 -0.044 0.299 221 A C -1.619 176.042 177.584 0.128 0.000 1.487 221 A CA 1.020 53.139 52.037 0.136 0.000 0.743 221 A CB -1.405 17.653 19.000 0.097 0.000 1.070 221 A HN 0.657 9.203 8.150 0.105 -0.332 0.439 222 L N -2.596 118.677 121.223 0.084 0.000 2.665 222 L HA 0.016 4.327 4.340 -0.047 0.000 0.201 222 L C 1.100 177.806 176.870 -0.275 0.000 1.805 222 L CA -0.875 53.927 54.840 -0.063 0.000 3.015 222 L CB 0.733 42.731 42.059 -0.101 0.000 2.866 222 L HN -0.681 7.609 8.230 0.101 0.000 0.765 223 D N -4.264 114.775 120.400 -2.269 0.000 3.171 223 D HA -0.351 2.899 4.640 -2.317 0.000 0.198 223 D C -1.056 174.427 176.300 -1.362 0.000 1.181 223 D CA 2.032 54.913 54.000 -1.866 0.000 0.695 223 D CB -1.278 38.751 40.800 -1.285 0.000 1.020 223 D HN 0.219 6.159 8.370 -4.050 0.000 0.396 224 K N -3.471 116.408 120.400 -0.870 0.000 2.687 224 K HA 0.536 4.319 4.320 -0.895 0.000 0.197 224 K C -2.450 174.125 176.600 -0.040 0.000 1.049 224 K CA -3.826 52.162 56.287 -0.498 0.000 1.030 224 K CB 0.265 32.616 32.500 -0.248 0.000 1.261 224 K HN -0.731 6.955 8.250 -0.939 0.000 0.565 225 P HA -0.069 4.566 4.420 0.358 0.000 0.275 225 P C -1.173 176.252 177.300 0.209 0.000 1.270 225 P CA -0.365 62.902 63.100 0.278 0.000 0.791 225 P CB 1.061 32.931 31.700 0.283 0.000 1.089 226 G N -2.989 105.901 108.800 0.150 0.000 2.410 226 G HA2 0.611 4.574 3.960 -0.134 0.000 0.330 226 G HA3 0.611 4.552 3.960 -0.031 0.000 0.330 226 G C -2.212 172.582 174.900 -0.175 0.000 1.142 226 G CA -1.220 43.846 45.100 -0.058 0.000 0.902 226 G HN -0.159 8.259 8.290 0.213 0.000 0.491 227 V N 1.935 121.453 119.914 -0.659 0.000 2.581 227 V HA 0.797 4.975 4.120 -0.190 -0.172 0.303 227 V C -1.100 174.578 176.094 -0.694 0.000 1.041 227 V CA -1.347 60.563 62.300 -0.650 0.000 0.907 227 V CB 2.449 33.407 31.823 -1.442 0.000 0.994 227 V HN 0.395 8.095 8.190 -0.818 0.000 0.442 228 Y N 3.457 123.652 120.300 -0.175 0.000 2.536 228 Y HA 0.656 5.330 4.550 -0.042 -0.149 0.347 228 Y C 0.320 176.220 175.900 -0.001 0.000 1.000 228 Y CA -2.312 55.752 58.100 -0.059 0.000 1.051 228 Y CB 3.647 42.087 38.460 -0.033 0.000 1.259 228 Y HN 1.053 9.443 8.280 0.182 0.000 0.468 229 T N 4.176 118.819 114.554 0.148 0.000 2.851 229 T HA -0.011 4.424 4.350 0.143 0.000 0.298 229 T C -0.659 174.137 174.700 0.160 0.000 0.977 229 T CA 1.723 63.887 62.100 0.106 0.000 1.126 229 T CB 0.445 69.273 68.868 -0.067 0.000 0.916 229 T HN 0.353 8.673 8.240 0.133 0.000 0.529 230 R N 8.600 129.233 120.500 0.222 0.000 2.612 230 R HA 0.035 4.458 4.340 0.138 0.000 0.273 230 R C 0.985 177.469 176.300 0.307 0.000 1.376 230 R CA -0.417 55.793 56.100 0.183 0.000 1.171 230 R CB -0.587 29.735 30.300 0.037 0.000 1.151 230 R HN 0.242 8.578 8.270 0.266 0.094 0.560 231 V N 7.430 127.482 119.914 0.229 0.000 2.370 231 V HA -0.594 3.723 4.120 0.330 0.000 0.252 231 V C 1.391 177.624 176.094 0.231 0.000 1.068 231 V CA 4.043 66.491 62.300 0.247 0.000 1.061 231 V CB -0.267 31.625 31.823 0.115 0.000 0.656 231 V HN 0.121 8.404 8.190 0.156 0.000 0.455 232 S N 0.278 116.077 115.700 0.165 0.000 2.420 232 S HA -0.379 4.085 4.470 -0.010 0.000 0.237 232 S C 1.421 175.926 174.600 -0.157 0.000 1.023 232 S CA 3.479 61.716 58.200 0.061 0.000 0.991 232 S CB -0.217 63.073 63.200 0.151 0.000 0.792 232 S HN 0.250 8.636 8.310 0.165 0.023 0.488 233 H N 0.982 119.903 119.070 -0.248 0.000 2.539 233 H HA 0.087 4.056 4.556 -0.978 0.000 0.269 233 H C 0.591 175.527 175.328 -0.653 0.000 0.980 233 H CA 1.718 57.446 56.048 -0.533 0.000 1.152 233 H CB -0.247 29.332 29.762 -0.305 0.000 1.407 233 H HN -0.277 8.151 8.280 0.319 0.044 0.564 234 F N -2.073 117.872 119.950 -0.008 0.000 2.682 234 F HA 0.140 4.741 4.527 0.124 0.000 0.308 234 F C 0.340 176.217 175.800 0.128 0.000 1.093 234 F CA 0.687 58.743 58.000 0.092 0.000 1.244 234 F CB 0.191 39.251 39.000 0.101 0.000 1.052 234 F HN 0.170 8.384 8.300 0.173 0.191 0.573 235 L N 1.341 122.620 121.223 0.094 0.000 2.051 235 L HA -0.377 4.021 4.340 0.097 0.000 0.214 235 L C -1.214 175.704 176.870 0.080 0.000 1.076 235 L CA 6.020 60.893 54.840 0.055 0.000 0.758 235 L CB -2.847 39.172 42.059 -0.067 0.000 0.890 235 L HN -0.283 7.866 8.230 -0.045 0.054 0.433 236 P HA -0.200 4.240 4.420 0.033 0.000 0.214 236 P C 0.990 178.383 177.300 0.155 0.000 1.162 236 P CA 3.062 66.215 63.100 0.088 0.000 0.879 236 P CB -0.535 31.220 31.700 0.092 0.000 0.786 237 W N -1.681 119.692 121.300 0.122 0.000 2.302 237 W HA -0.319 4.466 4.660 0.207 0.000 0.320 237 W C 2.034 178.680 176.519 0.212 0.000 1.241 237 W CA 3.367 60.851 57.345 0.231 0.000 1.264 237 W CB -0.291 29.422 29.460 0.421 0.000 1.154 237 W HN -0.400 8.031 8.180 0.419 0.000 0.483 238 I N -1.248 119.497 120.570 0.292 0.000 2.151 238 I HA -0.705 3.359 4.170 -0.177 0.000 0.243 238 I C 2.323 178.330 176.117 -0.184 0.000 1.080 238 I CA 4.402 65.698 61.300 -0.007 0.000 1.339 238 I CB -0.402 37.650 38.000 0.086 0.000 1.039 238 I HN 0.276 8.785 8.210 0.497 0.000 0.409 239 R N -1.084 119.349 120.500 -0.113 0.000 2.081 239 R HA -0.185 4.233 4.340 -0.198 -0.197 0.235 239 R C 2.853 179.003 176.300 -0.249 0.000 1.131 239 R CA 2.882 58.881 56.100 -0.168 0.000 0.960 239 R CB -0.023 30.218 30.300 -0.099 0.000 0.856 239 R HN 0.110 8.304 8.270 -0.023 0.062 0.436 240 S N -1.396 114.135 115.700 -0.281 0.000 2.407 240 S HA -0.214 4.063 4.470 -0.321 0.000 0.235 240 S C 0.908 175.112 174.600 -0.660 0.000 1.036 240 S CA 2.847 60.773 58.200 -0.457 0.000 1.013 240 S CB -0.104 62.750 63.200 -0.576 0.000 0.820 240 S HN 0.344 8.431 8.310 -0.193 0.108 0.476 241 H N -3.702 115.076 119.070 -0.487 0.000 2.740 241 H HA 0.256 4.588 4.556 -0.374 0.000 0.265 241 H C -0.334 174.565 175.328 -0.715 0.000 0.978 241 H CA 0.416 56.131 56.048 -0.554 0.000 1.198 241 H CB 1.047 30.364 29.762 -0.741 0.000 1.467 241 H HN -0.578 7.293 8.280 -0.472 0.126 0.511 242 T N 0.000 114.191 114.554 -0.604 0.000 3.816 242 T HA 0.000 3.834 4.350 -0.859 0.000 0.228 242 T CA 0.000 61.651 62.100 -0.748 0.000 1.349 242 T CB 0.000 68.285 68.868 -0.971 0.000 0.612 242 T HN 0.000 7.845 8.240 -0.467 0.115 0.658