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 2e3b_1_A DATA FIRST_RESID 9 DATA SEQUENCE SVTcPGGQST SNSQccVWFD VLDDLQTNFY QGSKcESPVR KILRIVFHDA DATA SEQUENCE IGFSPALTAA GQFGGGGADG SIIAHSNIEL AFPANGGLTD TIEALRAVGI DATA SEQUENCE NHGVSFGDLI QFATAVGMSN cPGSPRLEFL TGRSNSSQPS PPSLIPGPGN DATA SEQUENCE TVTAILDRMG DAGFSPDEVV DLLAAHSLAS QEGLNSAIFR SPLDSTPQVF DATA SEQUENCE DTQFYIETLL KGTTQPGPSL GFAEELSPFP GEFRMRSDAL LARDSRTAcR DATA SEQUENCE WQSMTSSNEV MGQRYRAAMA KMSVLGFDRN ALTDcSDVIP SAVSNNAAPV DATA SEQUENCE IPGGLTVDDI EVScPSEPFP EIATASGPLP SLAPAP 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 9 S HA 0.000 nan 4.470 nan 0.000 0.327 9 S C 0.000 174.621 174.600 0.035 0.000 1.055 9 S CA 0.000 58.220 58.200 0.033 0.000 1.107 9 S CB 0.000 63.219 63.200 0.031 0.000 0.593 10 V N 3.956 123.899 119.914 0.049 0.000 2.713 10 V HA 0.618 4.740 4.120 0.003 0.000 0.307 10 V C -1.139 174.983 176.094 0.047 0.000 1.052 10 V CA -0.174 62.154 62.300 0.048 0.000 0.967 10 V CB 1.831 33.690 31.823 0.060 0.000 1.019 10 V HN -0.109 nan 8.190 nan 0.000 0.459 11 T N 4.821 119.394 114.554 0.031 0.000 2.791 11 T HA 0.491 4.843 4.350 0.003 0.000 0.288 11 T C 0.140 174.847 174.700 0.013 0.000 0.999 11 T CA -0.495 61.611 62.100 0.009 0.000 0.952 11 T CB -0.080 68.785 68.868 -0.004 0.000 0.938 11 T HN 0.333 nan 8.240 nan 0.000 0.444 12 c N 4.787 123.388 118.600 0.001 0.000 2.595 12 c HA 0.250 4.822 4.570 0.003 0.000 0.384 12 c C -0.392 173.685 174.090 -0.021 0.000 1.289 12 c CA -1.318 55.021 56.329 0.016 0.000 2.372 12 c CB 0.403 42.943 42.510 0.049 0.000 2.593 12 c HN 0.650 nan 8.230 nan 0.000 0.639 13 P HA -0.170 nan 4.420 nan 0.000 0.222 13 P C 1.279 178.559 177.300 -0.033 0.000 1.159 13 P CA 2.288 65.382 63.100 -0.011 0.000 0.920 13 P CB -0.128 31.575 31.700 0.005 0.000 0.793 14 G N -2.120 106.645 108.800 -0.058 0.000 3.155 14 G HA2 0.236 4.198 3.960 0.003 0.000 0.213 14 G HA3 0.236 4.198 3.960 0.003 0.000 0.213 14 G C 1.073 175.905 174.900 -0.113 0.000 1.196 14 G CA 0.392 45.444 45.100 -0.081 0.000 0.846 14 G HN 0.505 nan 8.290 nan 0.000 0.516 15 G N -0.441 108.298 108.800 -0.100 0.000 2.180 15 G HA2 -0.312 3.650 3.960 0.003 0.000 0.263 15 G HA3 -0.312 3.650 3.960 0.003 0.000 0.263 15 G C 0.396 175.214 174.900 -0.137 0.000 0.989 15 G CA 0.393 45.438 45.100 -0.091 0.000 0.692 15 G HN 0.687 nan 8.290 nan 0.000 0.526 16 Q N 1.601 121.252 119.800 -0.248 0.000 2.271 16 Q HA 0.024 4.366 4.340 0.003 0.000 0.273 16 Q C -0.021 175.832 176.000 -0.245 0.000 1.051 16 Q CA 0.012 55.552 55.803 -0.438 0.000 0.901 16 Q CB 0.725 28.826 28.738 -1.062 0.000 1.174 16 Q HN -0.021 nan 8.270 nan 0.000 0.385 17 S N 4.427 120.053 115.700 -0.122 0.000 2.525 17 S HA 0.477 4.949 4.470 0.003 0.000 0.290 17 S C -1.146 173.517 174.600 0.104 0.000 1.152 17 S CA -0.723 57.476 58.200 -0.003 0.000 1.072 17 S CB 1.061 64.264 63.200 0.005 0.000 1.027 17 S HN 0.038 nan 8.310 nan 0.000 0.500 18 T N 1.250 115.890 114.554 0.143 0.000 2.739 18 T HA 0.369 4.846 4.350 0.212 0.000 0.303 18 T C -0.701 174.078 174.700 0.132 0.000 1.389 18 T CA -0.810 61.416 62.100 0.211 0.000 1.001 18 T CB 2.892 71.984 68.868 0.375 0.000 1.436 18 T HN -0.072 8.230 8.240 0.104 0.000 0.500 19 S N 2.127 117.898 115.700 0.118 0.000 2.446 19 S HA 0.028 4.537 4.470 0.065 0.000 0.225 19 S C -0.136 174.503 174.600 0.066 0.000 1.016 19 S CA 0.719 58.964 58.200 0.075 0.000 0.943 19 S CB 0.808 64.041 63.200 0.056 0.000 0.786 19 S HN 0.329 8.858 8.310 0.136 -0.137 0.508 20 N N -0.677 118.074 118.700 0.085 0.000 2.431 20 N HA 0.103 4.877 4.740 0.057 0.000 0.275 20 N C -0.310 175.256 175.510 0.094 0.000 1.091 20 N CA -0.204 52.888 53.050 0.069 0.000 0.922 20 N CB 1.879 40.394 38.487 0.046 0.000 1.666 20 N HN -0.821 7.585 8.380 0.112 0.041 0.484 21 S N 3.178 118.924 115.700 0.077 0.000 2.474 21 S HA -0.122 4.413 4.470 0.108 0.000 0.235 21 S C 2.050 176.706 174.600 0.094 0.000 0.997 21 S CA 2.038 60.290 58.200 0.087 0.000 0.949 21 S CB -0.240 62.995 63.200 0.058 0.000 0.766 21 S HN 0.573 8.920 8.310 0.060 0.000 0.517 22 Q N 1.055 120.908 119.800 0.088 0.000 2.437 22 Q HA -0.168 4.223 4.340 0.086 0.000 0.210 22 Q C 0.730 176.852 176.000 0.202 0.000 0.972 22 Q CA 2.168 58.037 55.803 0.109 0.000 0.903 22 Q CB -0.029 28.762 28.738 0.088 0.000 0.967 22 Q HN 0.198 8.881 8.270 0.074 -0.369 0.486 23 c N -3.488 115.226 118.600 0.191 0.000 2.514 23 c HA -0.016 4.787 4.570 0.388 0.000 0.271 23 c C 2.191 176.400 174.090 0.198 0.000 1.399 23 c CA 0.426 56.897 56.329 0.237 0.000 1.765 23 c CB -1.656 40.935 42.510 0.135 0.000 1.893 23 c HN -0.309 7.844 8.230 0.152 0.168 0.531 24 c N 0.613 119.347 118.600 0.223 0.000 2.425 24 c HA -0.195 4.750 4.570 0.626 0.000 0.277 24 c C 2.309 176.505 174.090 0.176 0.000 1.280 24 c CA 4.489 61.009 56.329 0.320 0.000 1.744 24 c CB -1.953 40.679 42.510 0.204 0.000 1.989 24 c HN -0.335 7.852 8.230 0.190 0.156 0.491 25 V N 0.185 120.070 119.914 -0.048 0.000 2.594 25 V HA -0.256 3.777 4.120 -0.144 0.000 0.253 25 V C 1.008 176.830 176.094 -0.453 0.000 1.069 25 V CA 2.770 64.906 62.300 -0.275 0.000 1.082 25 V CB -0.271 31.278 31.823 -0.456 0.000 0.680 25 V HN -0.020 8.149 8.190 -0.035 0.000 0.469 26 W N -2.053 119.069 121.300 -0.298 0.000 2.519 26 W HA -0.265 3.957 4.660 -0.730 0.000 0.266 26 W C 1.839 178.105 176.519 -0.422 0.000 1.253 26 W CA 2.514 59.492 57.345 -0.611 0.000 1.274 26 W CB -0.311 28.673 29.460 -0.794 0.000 1.114 26 W HN -0.456 7.485 8.180 -0.159 0.144 0.596 27 F N -1.577 118.433 119.950 0.101 0.000 2.171 27 F HA -0.404 4.230 4.527 0.178 0.000 0.300 27 F C 1.580 177.409 175.800 0.049 0.000 1.090 27 F CA 4.097 62.163 58.000 0.110 0.000 1.293 27 F CB -0.718 38.333 39.000 0.086 0.000 1.013 27 F HN -0.537 7.721 8.300 -0.032 0.022 0.486 28 D N -0.406 120.072 120.400 0.130 0.000 2.149 28 D HA -0.194 4.522 4.640 0.126 0.000 0.201 28 D C 2.318 178.524 176.300 -0.156 0.000 0.972 28 D CA 3.158 57.193 54.000 0.058 0.000 0.835 28 D CB -0.549 40.316 40.800 0.108 0.000 0.966 28 D HN -0.657 7.764 8.370 0.103 0.010 0.476 29 V N 1.169 120.834 119.914 -0.415 0.000 2.343 29 V HA -0.323 3.201 4.120 -0.993 0.000 0.247 29 V C 2.178 178.301 176.094 0.049 0.000 1.051 29 V CA 3.909 65.897 62.300 -0.519 0.000 1.036 29 V CB -0.873 30.628 31.823 -0.537 0.000 0.654 29 V HN -0.735 7.226 8.190 -0.381 0.000 0.451 30 L N -0.460 120.936 121.223 0.289 0.000 1.990 30 L HA -0.477 4.086 4.340 0.372 0.000 0.213 30 L C 1.342 178.328 176.870 0.194 0.000 1.072 30 L CA 3.857 58.896 54.840 0.332 0.000 0.755 30 L CB -0.540 41.727 42.059 0.345 0.000 0.889 30 L HN 0.108 8.480 8.230 0.236 0.000 0.432 31 D N -2.040 118.458 120.400 0.163 0.000 2.117 31 D HA -0.302 4.421 4.640 0.138 0.000 0.197 31 D C 2.341 178.716 176.300 0.126 0.000 0.987 31 D CA 3.502 57.585 54.000 0.138 0.000 0.829 31 D CB -0.743 40.135 40.800 0.130 0.000 0.961 31 D HN -0.462 8.008 8.370 0.168 0.000 0.460 32 D N 1.023 121.490 120.400 0.112 0.000 2.084 32 D HA -0.199 4.524 4.640 0.138 0.000 0.194 32 D C 2.198 178.574 176.300 0.126 0.000 0.990 32 D CA 2.721 56.799 54.000 0.131 0.000 0.826 32 D CB 0.084 40.997 40.800 0.188 0.000 0.971 32 D HN -0.567 7.852 8.370 0.082 0.000 0.453 33 L N -0.712 120.580 121.223 0.116 0.000 2.042 33 L HA -0.466 3.928 4.340 0.090 0.000 0.210 33 L C 2.513 179.523 176.870 0.234 0.000 1.076 33 L CA 3.027 57.945 54.840 0.131 0.000 0.749 33 L CB -0.265 41.874 42.059 0.134 0.000 0.893 33 L HN 0.087 8.376 8.230 0.097 0.000 0.432 34 Q N -2.684 117.259 119.800 0.238 0.000 2.123 34 Q HA -0.200 4.364 4.340 0.373 0.000 0.199 34 Q C 3.156 179.265 176.000 0.182 0.000 0.966 34 Q CA 2.978 58.930 55.803 0.249 0.000 0.845 34 Q CB -0.575 28.261 28.738 0.163 0.000 0.907 34 Q HN 0.156 8.529 8.270 0.197 0.015 0.439 35 T N 3.187 117.824 114.554 0.138 0.000 2.812 35 T HA -0.257 4.148 4.350 0.093 0.000 0.264 35 T C 1.599 176.355 174.700 0.093 0.000 1.042 35 T CA 5.094 67.256 62.100 0.103 0.000 1.140 35 T CB -0.225 68.697 68.868 0.089 0.000 0.870 35 T HN -0.146 8.178 8.240 0.139 0.000 0.445 36 N N 0.576 119.338 118.700 0.104 0.000 2.652 36 N HA 0.110 4.888 4.740 0.062 0.000 0.226 36 N C 2.153 177.705 175.510 0.071 0.000 1.023 36 N CA 1.549 54.649 53.050 0.083 0.000 1.126 36 N CB 0.741 39.284 38.487 0.094 0.000 1.476 36 N HN -0.222 8.231 8.380 0.122 0.000 0.537 37 F N 1.727 121.609 119.950 -0.114 0.000 2.154 37 F HA -0.329 4.081 4.527 -0.194 0.000 0.301 37 F C 0.949 176.565 175.800 -0.306 0.000 1.087 37 F CA 3.097 60.935 58.000 -0.271 0.000 1.274 37 F CB 0.365 39.083 39.000 -0.469 0.000 1.009 37 F HN -0.490 7.922 8.300 0.187 0.000 0.485 38 Y N -6.335 114.011 120.300 0.076 0.000 2.457 38 Y HA 0.099 4.556 4.550 -0.155 0.000 0.263 38 Y C -0.725 175.152 175.900 -0.038 0.000 1.164 38 Y CA -0.065 58.016 58.100 -0.032 0.000 1.274 38 Y CB -0.299 38.189 38.460 0.047 0.000 1.097 38 Y HN 0.127 8.442 8.280 0.086 0.017 0.523 39 Q N -1.660 118.190 119.800 0.085 0.000 2.463 39 Q HA -0.403 4.089 4.340 0.040 -0.129 0.299 39 Q C 0.258 176.295 176.000 0.061 0.000 1.353 39 Q CA 0.989 56.821 55.803 0.047 0.000 0.828 39 Q CB -2.569 26.174 28.738 0.008 0.000 1.157 39 Q HN -0.376 7.762 8.270 0.071 0.175 0.436 40 G N -3.299 105.552 108.800 0.085 0.000 2.325 40 G HA2 -0.409 3.611 3.960 0.070 0.000 0.248 40 G HA3 -0.409 3.581 3.960 0.049 0.000 0.248 40 G C -0.848 174.089 174.900 0.063 0.000 1.108 40 G CA -0.041 45.100 45.100 0.068 0.000 0.881 40 G HN -0.128 8.226 8.290 0.106 0.000 0.494 41 S N -4.444 111.315 115.700 0.098 0.000 3.587 41 S HA -0.534 4.078 4.470 0.053 -0.111 0.337 41 S C -0.373 174.216 174.600 -0.019 0.000 1.119 41 S CA 1.334 59.559 58.200 0.040 0.000 0.976 41 S CB -1.964 61.244 63.200 0.015 0.000 0.922 41 S HN 0.132 8.532 8.310 0.150 0.000 0.503 42 K N -1.858 118.548 120.400 0.010 0.000 2.090 42 K HA 0.167 4.467 4.320 -0.034 0.000 0.249 42 K C -0.181 176.370 176.600 -0.081 0.000 0.995 42 K CA -1.085 55.188 56.287 -0.022 0.000 0.914 42 K CB 1.673 34.178 32.500 0.008 0.000 1.057 42 K HN -0.463 7.814 8.250 0.074 0.017 0.462 43 c N 4.003 122.559 118.600 -0.074 0.000 2.376 43 c HA 0.210 4.703 4.570 -0.129 0.000 0.341 43 c C -1.202 172.862 174.090 -0.045 0.000 1.106 43 c CA -1.447 54.831 56.329 -0.086 0.000 1.631 43 c CB -2.832 39.630 42.510 -0.081 0.000 1.649 43 c HN 0.452 8.651 8.230 -0.052 0.000 0.456 44 E N 3.632 123.815 120.200 -0.027 0.000 2.489 44 E HA 0.167 4.500 4.350 -0.029 0.000 0.201 44 E C 0.021 176.604 176.600 -0.029 0.000 0.752 44 E CA -1.110 55.275 56.400 -0.025 0.000 0.948 44 E CB 1.883 31.572 29.700 -0.020 0.000 1.871 44 E HN -0.476 7.874 8.360 -0.016 0.000 0.383 45 S N 0.904 116.577 115.700 -0.046 0.000 2.374 45 S HA -0.118 4.312 4.470 -0.066 0.000 0.227 45 S C 0.239 174.799 174.600 -0.066 0.000 1.037 45 S CA 5.653 63.816 58.200 -0.062 0.000 1.024 45 S CB -1.917 61.244 63.200 -0.064 0.000 0.861 45 S HN 0.207 8.491 8.310 -0.042 0.000 0.456 46 P HA -0.231 4.014 4.420 -0.293 0.000 0.215 46 P C 2.245 179.605 177.300 0.099 0.000 1.153 46 P CA 2.109 65.052 63.100 -0.261 0.000 0.853 46 P CB -0.683 30.558 31.700 -0.765 0.000 0.788 47 V N 0.811 120.867 119.914 0.235 0.000 2.343 47 V HA -0.218 3.904 4.120 0.003 0.000 0.247 47 V C 1.811 177.978 176.094 0.122 0.000 1.051 47 V CA 1.413 63.861 62.300 0.246 0.000 1.036 47 V CB -0.076 31.757 31.823 0.016 0.000 0.654 47 V HN 0.136 nan 8.190 nan 0.000 0.451 48 R N -0.350 120.177 120.500 0.045 0.000 2.075 48 R HA -0.304 4.041 4.340 0.009 0.000 0.232 48 R C 2.510 178.820 176.300 0.017 0.000 1.126 48 R CA 2.807 58.911 56.100 0.006 0.000 0.963 48 R CB -0.057 30.217 30.300 -0.044 0.000 0.858 48 R HN -0.492 7.794 8.270 0.027 0.000 0.435 49 K N -1.079 119.338 120.400 0.028 0.000 2.057 49 K HA -0.246 4.077 4.320 0.005 0.000 0.207 49 K C 2.045 178.697 176.600 0.087 0.000 1.049 49 K CA 2.350 58.661 56.287 0.040 0.000 0.931 49 K CB -0.527 32.001 32.500 0.046 0.000 0.714 49 K HN 0.059 8.320 8.250 0.020 0.000 0.440 50 I N 0.554 121.229 120.570 0.175 0.000 2.361 50 I HA -0.341 3.923 4.170 0.157 0.000 0.251 50 I C 1.776 177.959 176.117 0.110 0.000 1.133 50 I CA 2.474 63.884 61.300 0.184 0.000 1.413 50 I CB -0.554 37.629 38.000 0.305 0.000 1.073 50 I HN -0.159 8.100 8.210 0.207 0.076 0.424 51 L N -0.825 120.454 121.223 0.093 0.000 2.093 51 L HA -0.411 3.983 4.340 0.090 0.000 0.208 51 L C 2.474 179.381 176.870 0.063 0.000 1.085 51 L CA 3.315 58.204 54.840 0.080 0.000 0.755 51 L CB -0.690 41.414 42.059 0.075 0.000 0.904 51 L HN -0.007 8.186 8.230 0.097 0.096 0.435 52 R N -1.267 119.231 120.500 -0.005 0.000 2.091 52 R HA -0.338 3.915 4.340 -0.144 0.000 0.238 52 R C 2.696 178.837 176.300 -0.266 0.000 1.136 52 R CA 3.638 59.630 56.100 -0.181 0.000 0.959 52 R CB -0.142 30.030 30.300 -0.213 0.000 0.856 52 R HN -0.642 7.630 8.270 0.004 0.000 0.437 53 I N -0.429 120.095 120.570 -0.076 0.000 2.315 53 I HA -0.396 3.766 4.170 -0.013 0.000 0.248 53 I C 1.779 177.940 176.117 0.074 0.000 1.117 53 I CA 4.341 65.640 61.300 -0.001 0.000 1.404 53 I CB -0.198 37.821 38.000 0.033 0.000 1.071 53 I HN -0.129 7.992 8.210 -0.028 0.071 0.419 54 V N 0.823 120.797 119.914 0.099 0.000 2.427 54 V HA -0.392 3.804 4.120 0.126 0.000 0.248 54 V C 1.293 177.523 176.094 0.227 0.000 1.051 54 V CA 3.889 66.272 62.300 0.138 0.000 1.048 54 V CB -0.775 31.113 31.823 0.107 0.000 0.666 54 V HN -0.057 8.184 8.190 0.085 0.000 0.456 55 F N 1.033 121.023 119.950 0.068 0.000 2.102 55 F HA -0.297 4.302 4.527 0.120 0.000 0.298 55 F C 1.420 177.396 175.800 0.294 0.000 1.105 55 F CA 1.332 59.419 58.000 0.145 0.000 1.239 55 F CB -0.158 38.919 39.000 0.128 0.000 0.991 55 F HN -0.711 7.771 8.300 0.302 0.000 0.474 56 H N -2.765 116.273 119.070 -0.053 0.000 2.524 56 H HA -0.285 4.051 4.556 -0.366 0.000 0.282 56 H C 1.024 176.356 175.328 0.006 0.000 1.016 56 H CA 1.620 57.579 56.048 -0.149 0.000 1.270 56 H CB 0.058 29.791 29.762 -0.048 0.000 1.394 56 H HN -0.122 8.242 8.280 0.141 0.000 0.568 57 D N -1.038 119.478 120.400 0.193 0.000 2.091 57 D HA -0.153 4.598 4.640 0.185 0.000 0.199 57 D C 1.735 178.151 176.300 0.194 0.000 0.980 57 D CA 2.416 56.526 54.000 0.183 0.000 0.831 57 D CB 0.555 41.454 40.800 0.165 0.000 0.987 57 D HN -0.306 8.157 8.370 0.190 0.021 0.460 58 A N -0.316 122.626 122.820 0.204 0.000 1.930 58 A HA -0.211 4.333 4.320 0.209 -0.098 0.217 58 A C 1.827 179.554 177.584 0.239 0.000 1.175 58 A CA 2.787 54.957 52.037 0.222 0.000 0.627 58 A CB -0.170 18.978 19.000 0.248 0.000 0.815 58 A HN -0.433 7.843 8.150 0.209 0.000 0.443 59 I N -3.014 117.674 120.570 0.197 0.000 3.291 59 I HA -0.156 4.209 4.170 0.325 0.000 0.279 59 I C -0.295 175.908 176.117 0.144 0.000 1.294 59 I CA -1.076 60.337 61.300 0.188 0.000 1.428 59 I CB 0.057 38.041 38.000 -0.026 0.000 1.070 59 I HN -0.141 8.153 8.210 0.141 0.000 0.478 60 G N 0.639 109.525 108.800 0.143 0.000 3.008 60 G HA2 -0.066 3.930 3.960 0.060 0.000 0.272 60 G HA3 -0.066 3.981 3.960 0.145 0.000 0.272 60 G C -2.449 172.555 174.900 0.173 0.000 0.764 60 G CA -0.007 45.167 45.100 0.123 0.000 2.029 60 G HN -0.651 7.676 8.290 0.152 0.054 0.587 61 F N 4.396 124.318 119.950 -0.047 0.000 2.651 61 F HA 0.263 4.782 4.527 -0.155 -0.085 0.329 61 F C -2.839 172.909 175.800 -0.087 0.000 1.186 61 F CA -0.024 57.925 58.000 -0.084 0.000 1.046 61 F CB 3.004 41.993 39.000 -0.018 0.000 1.296 61 F HN -0.417 7.924 8.300 0.144 0.045 0.497 62 S N 8.009 123.297 115.700 -0.687 0.000 2.461 62 S HA 0.549 4.924 4.470 -0.330 -0.103 0.216 62 S C -1.996 172.278 174.600 -0.543 0.000 1.201 62 S CA -3.046 54.878 58.200 -0.460 0.000 1.171 62 S CB 0.405 63.440 63.200 -0.275 0.000 1.169 62 S HN 0.440 8.212 8.310 -0.896 0.000 0.456 63 P HA -0.205 3.970 4.420 -0.408 0.000 0.217 63 P C 0.156 177.325 177.300 -0.218 0.000 1.148 63 P CA 2.447 65.331 63.100 -0.361 0.000 0.828 63 P CB 0.180 31.741 31.700 -0.232 0.000 0.783 64 A N -3.967 118.748 122.820 -0.175 0.000 1.933 64 A HA -0.185 4.077 4.320 -0.097 0.000 0.218 64 A C 2.071 179.582 177.584 -0.121 0.000 1.175 64 A CA 2.826 54.793 52.037 -0.117 0.000 0.628 64 A CB -0.645 18.304 19.000 -0.086 0.000 0.814 64 A HN -0.104 8.196 8.150 -0.181 -0.259 0.444 65 L N -3.086 118.042 121.223 -0.159 0.000 2.027 65 L HA -0.423 3.856 4.340 -0.102 0.000 0.206 65 L C 2.373 179.166 176.870 -0.128 0.000 1.074 65 L CA 2.941 57.699 54.840 -0.138 0.000 0.745 65 L CB -0.212 41.746 42.059 -0.168 0.000 0.898 65 L HN -0.652 7.370 8.230 -0.196 0.090 0.433 66 T N 1.360 115.807 114.554 -0.177 0.000 2.759 66 T HA -0.216 4.295 4.350 -0.096 -0.219 0.269 66 T C 2.622 177.273 174.700 -0.082 0.000 1.042 66 T CA 4.240 66.262 62.100 -0.130 0.000 1.140 66 T CB -0.487 68.274 68.868 -0.179 0.000 0.864 66 T HN -0.447 7.650 8.240 -0.240 0.000 0.455 67 A N 0.580 123.347 122.820 -0.088 0.000 2.067 67 A HA -0.058 4.232 4.320 -0.050 0.000 0.219 67 A C 0.218 177.776 177.584 -0.044 0.000 1.158 67 A CA 2.248 54.250 52.037 -0.059 0.000 0.661 67 A CB -0.559 18.405 19.000 -0.060 0.000 0.801 67 A HN 0.054 8.123 8.150 -0.111 0.014 0.452 68 A N -2.962 119.829 122.820 -0.048 0.000 2.532 68 A HA 0.140 4.443 4.320 -0.029 0.000 0.273 68 A C -0.291 177.278 177.584 -0.025 0.000 1.342 68 A CA -0.773 51.243 52.037 -0.035 0.000 0.929 68 A CB -0.396 18.580 19.000 -0.039 0.000 1.051 68 A HN -0.475 7.468 8.150 -0.062 0.170 0.521 69 G N -1.348 107.438 108.800 -0.022 0.000 2.160 69 G HA2 -0.432 3.525 3.960 -0.005 0.000 0.251 69 G HA3 -0.432 3.524 3.960 -0.006 0.000 0.251 69 G C -0.862 174.041 174.900 0.006 0.000 1.008 69 G CA 0.301 45.397 45.100 -0.007 0.000 0.724 69 G HN -0.312 7.862 8.290 -0.028 0.099 0.514 70 Q N -2.046 117.756 119.800 0.003 0.000 2.413 70 Q HA 0.273 4.645 4.340 0.053 0.000 0.276 70 Q C -1.365 174.675 176.000 0.066 0.000 1.099 70 Q CA -2.239 53.584 55.803 0.033 0.000 0.814 70 Q CB 3.819 32.560 28.738 0.004 0.000 1.379 70 Q HN -0.569 7.668 8.270 -0.018 0.022 0.436 71 F N 1.478 121.401 119.950 -0.045 0.000 2.578 71 F HA -0.006 4.490 4.527 -0.051 0.000 0.381 71 F C 0.299 176.061 175.800 -0.063 0.000 1.069 71 F CA 1.225 59.197 58.000 -0.047 0.000 1.231 71 F CB 0.716 39.699 39.000 -0.030 0.000 1.086 71 F HN 0.377 8.823 8.300 0.242 0.000 0.564 72 G N 4.814 113.159 108.800 -0.759 0.000 3.126 72 G HA2 -0.055 3.636 3.960 -0.448 0.000 0.224 72 G HA3 -0.055 3.718 3.960 -0.569 -0.155 0.224 72 G C -1.415 172.990 174.900 -0.825 0.000 1.142 72 G CA -0.515 44.189 45.100 -0.660 0.000 0.759 72 G HN 0.260 8.093 8.290 -0.762 0.000 0.550 73 G N -1.288 106.537 108.800 -1.626 0.000 2.697 73 G HA2 -0.221 3.285 3.960 -0.758 0.000 0.686 73 G HA3 -0.221 3.669 3.960 -0.377 -0.156 0.686 73 G C -0.171 174.554 174.900 -0.292 0.000 1.179 73 G CA -0.632 43.973 45.100 -0.826 0.000 0.765 73 G HN -0.804 5.587 8.290 -3.074 0.054 0.649 74 G N -0.633 108.247 108.800 0.134 0.000 3.284 74 G HA2 0.271 4.351 3.960 0.200 0.000 0.236 74 G HA3 0.271 4.507 3.960 0.276 -0.110 0.236 74 G C -0.281 174.741 174.900 0.202 0.000 1.158 74 G CA -1.216 44.022 45.100 0.230 0.000 0.774 74 G HN 0.266 8.752 8.290 0.218 -0.065 0.545 75 G N 1.533 110.501 108.800 0.280 0.000 2.531 75 G HA2 -0.453 3.842 3.960 0.219 0.000 0.274 75 G HA3 -0.453 3.610 3.960 0.003 -0.101 0.274 75 G C -0.308 174.755 174.900 0.271 0.000 1.159 75 G CA 0.211 45.424 45.100 0.188 0.000 0.969 75 G HN -0.305 8.103 8.290 0.304 0.064 0.554 76 A N 3.474 126.496 122.820 0.337 0.000 2.810 76 A HA -0.012 4.553 4.320 0.236 -0.103 0.247 76 A C -0.960 176.850 177.584 0.376 0.000 1.576 76 A CA -0.661 51.559 52.037 0.304 0.000 1.294 76 A CB -1.023 18.086 19.000 0.183 0.000 0.976 76 A HN -0.072 8.271 8.150 0.323 0.000 0.631 77 D N -2.230 118.426 120.400 0.427 0.000 2.363 77 D HA -0.005 4.986 4.640 0.586 0.000 0.214 77 D C 0.835 177.338 176.300 0.337 0.000 1.093 77 D CA -1.878 52.404 54.000 0.469 0.000 0.837 77 D CB 0.343 41.410 40.800 0.445 0.000 0.948 77 D HN -0.323 8.189 8.370 0.366 0.077 0.507 78 G N -0.619 108.349 108.800 0.280 0.000 2.155 78 G HA2 -0.414 3.729 3.960 0.215 0.000 0.257 78 G HA3 -0.414 3.817 3.960 0.355 -0.058 0.257 78 G C 0.975 176.026 174.900 0.252 0.000 0.983 78 G CA 1.062 46.328 45.100 0.275 0.000 0.676 78 G HN 0.057 8.827 8.290 0.256 -0.327 0.528 79 S N 0.242 116.108 115.700 0.275 0.000 2.419 79 S HA -0.224 4.468 4.470 0.370 0.000 0.233 79 S C 1.863 176.581 174.600 0.197 0.000 1.016 79 S CA 2.727 61.117 58.200 0.317 0.000 0.974 79 S CB -0.192 63.231 63.200 0.371 0.000 0.786 79 S HN -0.175 8.628 8.310 0.287 -0.321 0.492 80 I N 1.256 121.904 120.570 0.131 0.000 2.454 80 I HA -0.359 3.940 4.170 0.039 -0.106 0.254 80 I C 0.676 176.764 176.117 -0.049 0.000 1.156 80 I CA 2.796 64.124 61.300 0.048 0.000 1.433 80 I CB -0.063 37.979 38.000 0.069 0.000 1.082 80 I HN -0.916 7.544 8.210 0.154 -0.158 0.432 81 I N -1.479 119.018 120.570 -0.122 0.000 2.385 81 I HA -0.349 3.642 4.170 -0.299 0.000 0.244 81 I C 1.837 177.760 176.117 -0.323 0.000 1.089 81 I CA 3.224 64.308 61.300 -0.360 0.000 1.410 81 I CB 0.027 37.545 38.000 -0.803 0.000 1.117 81 I HN -0.564 7.485 8.210 -0.063 0.123 0.429 82 A N -0.402 122.325 122.820 -0.156 0.000 1.972 82 A HA -0.245 4.109 4.320 0.056 0.000 0.219 82 A C 0.896 178.208 177.584 -0.454 0.000 1.169 82 A CA 2.573 54.533 52.037 -0.128 0.000 0.635 82 A CB -0.076 18.903 19.000 -0.036 0.000 0.810 82 A HN -0.255 7.873 8.150 -0.037 0.000 0.446 83 H N -4.055 115.044 119.070 0.049 0.000 2.528 83 H HA 0.416 5.081 4.556 0.018 -0.099 0.256 83 H C 0.174 175.469 175.328 -0.054 0.000 1.204 83 H CA -1.754 54.303 56.048 0.014 0.000 0.955 83 H CB -0.976 28.812 29.762 0.044 0.000 1.817 83 H HN -0.210 7.913 8.280 -0.045 0.130 0.579 84 S N 0.601 116.286 115.700 -0.026 0.000 2.399 84 S HA -0.255 4.258 4.470 -0.090 -0.097 0.231 84 S C 1.350 175.904 174.600 -0.076 0.000 1.022 84 S CA 3.732 61.888 58.200 -0.073 0.000 0.983 84 S CB 0.111 63.254 63.200 -0.094 0.000 0.803 84 S HN -0.611 7.592 8.310 -0.064 0.068 0.480 85 N N 2.037 120.717 118.700 -0.033 0.000 2.061 85 N HA -0.336 4.383 4.740 -0.034 0.000 0.193 85 N C 1.131 176.606 175.510 -0.059 0.000 1.030 85 N CA 2.369 55.402 53.050 -0.028 0.000 0.856 85 N CB -1.160 37.333 38.487 0.010 0.000 1.023 85 N HN 0.204 8.557 8.380 -0.013 0.020 0.424 86 I N -0.392 120.140 120.570 -0.064 0.000 2.235 86 I HA -0.231 3.895 4.170 -0.073 0.000 0.241 86 I C 2.168 178.013 176.117 -0.454 0.000 1.085 86 I CA 2.985 64.209 61.300 -0.126 0.000 1.378 86 I CB 0.343 38.327 38.000 -0.027 0.000 1.076 86 I HN -0.723 7.479 8.210 -0.014 0.000 0.415 87 E N -0.646 119.229 120.200 -0.542 0.000 2.208 87 E HA -0.221 2.617 4.350 -2.520 0.000 0.193 87 E C 2.380 178.508 176.600 -0.787 0.000 0.988 87 E CA 2.725 58.435 56.400 -1.150 0.000 0.828 87 E CB 0.229 29.616 29.700 -0.521 0.000 0.763 87 E HN -0.136 8.050 8.360 -0.291 0.000 0.478 88 L N -3.018 117.995 121.223 -0.349 0.000 2.610 88 L HA -0.048 4.213 4.340 -0.132 0.000 0.232 88 L C 0.140 176.942 176.870 -0.113 0.000 1.149 88 L CA 0.435 55.175 54.840 -0.167 0.000 0.872 88 L CB -0.633 41.375 42.059 -0.085 0.000 0.992 88 L HN 0.042 7.997 8.230 -0.282 0.105 0.447 89 A N -2.026 120.696 122.820 -0.164 0.000 2.218 89 A HA -0.021 4.300 4.320 0.002 0.000 0.209 89 A C 0.264 177.923 177.584 0.125 0.000 1.168 89 A CA 0.174 52.199 52.037 -0.020 0.000 0.804 89 A CB 0.230 19.231 19.000 0.003 0.000 0.834 89 A HN -0.788 7.124 8.150 -0.287 0.066 0.482 90 F N -1.092 118.864 119.950 0.011 0.000 2.459 90 F HA 0.153 4.675 4.527 -0.009 0.000 0.346 90 F C -0.560 175.236 175.800 -0.008 0.000 1.128 90 F CA -3.266 54.731 58.000 -0.006 0.000 1.268 90 F CB -1.656 37.331 39.000 -0.022 0.000 1.161 90 F HN -0.667 7.392 8.300 -0.132 0.162 0.583 91 P HA -0.252 4.199 4.420 0.052 0.000 0.217 91 P C 0.342 177.700 177.300 0.097 0.000 1.151 91 P CA 2.579 65.726 63.100 0.077 0.000 0.849 91 P CB 0.124 31.839 31.700 0.025 0.000 0.787 92 A N -6.344 116.539 122.820 0.106 0.000 2.251 92 A HA 0.079 4.493 4.320 0.156 0.000 0.209 92 A C -0.286 177.427 177.584 0.215 0.000 1.187 92 A CA 0.875 52.982 52.037 0.116 0.000 0.823 92 A CB -0.618 18.334 19.000 -0.078 0.000 0.846 92 A HN -0.074 8.112 8.150 0.104 0.026 0.486 93 N N -2.636 116.179 118.700 0.192 0.000 2.275 93 N HA 0.157 5.084 4.740 0.311 0.000 0.236 93 N C -0.497 175.083 175.510 0.117 0.000 1.154 93 N CA -1.318 51.854 53.050 0.203 0.000 0.866 93 N CB 1.002 39.572 38.487 0.139 0.000 1.093 93 N HN -0.489 7.810 8.380 0.168 0.182 0.515 94 G N -0.349 108.516 108.800 0.108 0.000 2.527 94 G HA2 0.016 4.010 3.960 0.056 0.000 0.248 94 G HA3 0.016 4.017 3.960 0.068 0.000 0.248 94 G C -0.077 174.864 174.900 0.068 0.000 1.231 94 G CA 0.259 45.403 45.100 0.072 0.000 0.838 94 G HN -0.950 7.344 8.290 0.125 0.071 0.570 95 G N 0.373 109.206 108.800 0.054 0.000 2.153 95 G HA2 -0.186 3.809 3.960 0.058 0.000 0.252 95 G HA3 -0.186 3.804 3.960 0.049 0.000 0.252 95 G C -0.572 174.353 174.900 0.042 0.000 0.994 95 G CA 0.758 45.888 45.100 0.051 0.000 0.698 95 G HN 0.239 8.559 8.290 0.049 0.000 0.521 96 L N -3.908 117.339 121.223 0.041 0.000 2.717 96 L HA 0.066 4.427 4.340 0.037 0.000 0.239 96 L C 1.057 177.942 176.870 0.026 0.000 1.086 96 L CA 0.367 55.229 54.840 0.036 0.000 0.897 96 L CB 0.041 42.125 42.059 0.042 0.000 1.214 96 L HN -0.343 7.877 8.230 0.041 0.035 0.508 97 T N 2.576 117.140 114.554 0.016 0.000 2.685 97 T HA -0.426 3.917 4.350 -0.011 0.000 0.268 97 T C 1.204 175.909 174.700 0.009 0.000 1.034 97 T CA 5.028 67.129 62.100 0.002 0.000 1.149 97 T CB -0.992 67.875 68.868 -0.003 0.000 0.860 97 T HN 0.491 8.742 8.240 0.019 0.000 0.449 98 D N -1.796 118.617 120.400 0.023 0.000 2.178 98 D HA -0.126 4.526 4.640 0.021 0.000 0.202 98 D C 2.549 178.880 176.300 0.051 0.000 0.974 98 D CA 3.706 57.723 54.000 0.028 0.000 0.841 98 D CB -0.709 40.108 40.800 0.028 0.000 0.953 98 D HN 0.439 8.810 8.370 0.026 0.014 0.478 99 T N 3.196 117.791 114.554 0.068 0.000 2.812 99 T HA -0.134 4.343 4.350 0.213 0.000 0.264 99 T C 2.091 176.852 174.700 0.101 0.000 1.042 99 T CA 3.958 66.146 62.100 0.147 0.000 1.140 99 T CB -0.289 68.671 68.868 0.154 0.000 0.870 99 T HN -0.581 7.677 8.240 0.054 0.014 0.445 100 I N 1.468 122.053 120.570 0.024 0.000 2.208 100 I HA -0.502 3.625 4.170 -0.072 0.000 0.245 100 I C 1.666 177.736 176.117 -0.078 0.000 1.097 100 I CA 3.225 64.494 61.300 -0.051 0.000 1.363 100 I CB -1.176 36.784 38.000 -0.067 0.000 1.051 100 I HN 0.330 8.555 8.210 0.026 0.000 0.413 101 E N -1.390 118.789 120.200 -0.036 0.000 2.106 101 E HA -0.309 4.001 4.350 -0.066 0.000 0.192 101 E C 2.399 178.992 176.600 -0.011 0.000 0.984 101 E CA 2.928 59.307 56.400 -0.035 0.000 0.806 101 E CB -0.733 28.959 29.700 -0.013 0.000 0.750 101 E HN -0.033 8.318 8.360 -0.015 0.000 0.458 102 A N -0.067 122.775 122.820 0.037 0.000 1.902 102 A HA -0.235 4.124 4.320 0.064 0.000 0.217 102 A C 2.315 179.888 177.584 -0.019 0.000 1.181 102 A CA 3.036 55.117 52.037 0.073 0.000 0.623 102 A CB -0.748 18.398 19.000 0.243 0.000 0.818 102 A HN -0.590 7.595 8.150 0.058 0.000 0.443 103 L N -2.281 118.881 121.223 -0.101 0.000 2.056 103 L HA -0.440 3.750 4.340 -0.250 0.000 0.207 103 L C 2.035 178.844 176.870 -0.101 0.000 1.078 103 L CA 2.854 57.582 54.840 -0.185 0.000 0.749 103 L CB -0.552 41.373 42.059 -0.224 0.000 0.901 103 L HN -0.277 7.916 8.230 -0.062 0.000 0.433 104 R N -0.584 119.826 120.500 -0.150 0.000 2.096 104 R HA -0.480 3.710 4.340 -0.250 0.000 0.240 104 R C 1.902 178.248 176.300 0.077 0.000 1.139 104 R CA 3.722 59.746 56.100 -0.127 0.000 0.952 104 R CB -0.150 30.044 30.300 -0.176 0.000 0.854 104 R HN 0.251 8.425 8.270 -0.160 0.000 0.436 105 A N -1.811 121.029 122.820 0.033 0.000 1.933 105 A HA -0.198 4.156 4.320 0.056 0.000 0.218 105 A C 2.408 180.032 177.584 0.067 0.000 1.175 105 A CA 3.070 55.137 52.037 0.049 0.000 0.628 105 A CB -0.649 18.368 19.000 0.029 0.000 0.814 105 A HN -0.463 7.688 8.150 0.002 0.000 0.444 106 V N -0.561 119.396 119.914 0.072 0.000 2.343 106 V HA -0.390 3.838 4.120 0.180 0.000 0.247 106 V C 2.582 178.788 176.094 0.186 0.000 1.051 106 V CA 4.141 66.526 62.300 0.141 0.000 1.036 106 V CB -0.787 31.073 31.823 0.062 0.000 0.654 106 V HN -0.383 7.830 8.190 0.038 0.000 0.451 107 G N -0.866 108.039 108.800 0.176 0.000 2.421 107 G HA2 -0.345 3.700 3.960 0.143 0.000 0.216 107 G HA3 -0.345 3.835 3.960 0.368 0.000 0.216 107 G C 1.193 176.157 174.900 0.107 0.000 1.171 107 G CA 2.224 47.449 45.100 0.208 0.000 0.775 107 G HN -0.046 8.342 8.290 0.163 0.000 0.543 108 I N 0.396 121.045 120.570 0.131 0.000 2.315 108 I HA -0.432 3.722 4.170 -0.026 0.000 0.248 108 I C 1.283 177.377 176.117 -0.037 0.000 1.117 108 I CA 3.351 64.668 61.300 0.027 0.000 1.404 108 I CB 0.041 38.080 38.000 0.065 0.000 1.071 108 I HN -0.309 8.024 8.210 0.204 0.000 0.419 109 N N -1.742 116.927 118.700 -0.052 0.000 2.142 109 N HA -0.228 4.416 4.740 -0.159 0.000 0.186 109 N C 1.506 176.830 175.510 -0.310 0.000 1.023 109 N CA 2.455 55.391 53.050 -0.191 0.000 0.852 109 N CB 0.298 38.636 38.487 -0.249 0.000 0.998 109 N HN -0.432 7.948 8.380 0.000 0.000 0.424 110 H N -3.875 115.128 119.070 -0.111 0.000 2.575 110 H HA 0.122 4.585 4.556 -0.155 0.000 0.267 110 H C 0.572 175.767 175.328 -0.222 0.000 0.966 110 H CA 0.645 56.585 56.048 -0.180 0.000 1.165 110 H CB 1.234 30.844 29.762 -0.254 0.000 1.433 110 H HN -0.375 7.909 8.280 0.007 0.000 0.544 111 G N 0.325 109.070 108.800 -0.091 0.000 2.272 111 G HA2 -0.427 3.458 3.960 -0.125 0.000 0.280 111 G HA3 -0.427 3.456 3.960 -0.128 0.000 0.280 111 G C -0.779 174.016 174.900 -0.176 0.000 1.067 111 G CA 0.432 45.454 45.100 -0.130 0.000 0.902 111 G HN -0.314 7.780 8.290 -0.070 0.154 0.500 112 V N -7.582 112.220 119.914 -0.187 0.000 2.919 112 V HA 0.483 4.496 4.120 -0.178 0.000 0.316 112 V C -1.006 175.050 176.094 -0.063 0.000 1.077 112 V CA -3.198 58.989 62.300 -0.188 0.000 0.977 112 V CB 3.160 34.711 31.823 -0.452 0.000 1.039 112 V HN -0.777 7.327 8.190 -0.142 0.000 0.441 113 S N -0.629 115.091 115.700 0.033 0.000 2.585 113 S HA 0.017 4.543 4.470 -0.163 -0.154 0.273 113 S C 1.268 175.960 174.600 0.152 0.000 1.339 113 S CA -0.057 58.142 58.200 -0.002 0.000 1.028 113 S CB 1.308 64.532 63.200 0.040 0.000 0.906 113 S HN -0.032 8.336 8.310 0.096 0.000 0.528 114 F N 2.467 122.464 119.950 0.077 0.000 2.171 114 F HA -0.159 4.409 4.527 0.068 0.000 0.300 114 F C 2.164 178.019 175.800 0.092 0.000 1.090 114 F CA 1.866 59.910 58.000 0.073 0.000 1.293 114 F CB -0.859 38.169 39.000 0.048 0.000 1.013 114 F HN 0.218 8.764 8.300 -0.099 -0.305 0.486 115 G N -1.609 107.355 108.800 0.273 0.000 2.402 115 G HA2 -0.361 3.738 3.960 0.181 0.000 0.216 115 G HA3 -0.361 3.787 3.960 0.114 -0.120 0.216 115 G C 0.972 175.939 174.900 0.112 0.000 1.162 115 G CA 1.696 46.893 45.100 0.162 0.000 0.777 115 G HN 0.218 8.649 8.290 0.253 0.011 0.539 116 D N 2.920 123.400 120.400 0.134 0.000 2.117 116 D HA -0.221 4.464 4.640 0.075 0.000 0.197 116 D C 2.065 178.547 176.300 0.304 0.000 0.987 116 D CA 3.105 57.218 54.000 0.188 0.000 0.829 116 D CB -0.245 40.756 40.800 0.335 0.000 0.961 116 D HN -0.575 7.876 8.370 0.136 0.000 0.460 117 L N 0.330 121.790 121.223 0.395 0.000 2.046 117 L HA -0.265 4.394 4.340 0.531 0.000 0.208 117 L C 1.466 178.464 176.870 0.213 0.000 1.077 117 L CA 3.306 58.376 54.840 0.383 0.000 0.747 117 L CB -0.181 42.068 42.059 0.318 0.000 0.896 117 L HN -0.113 8.268 8.230 0.379 0.077 0.432 118 I N -1.188 119.476 120.570 0.157 0.000 2.163 118 I HA -0.650 3.546 4.170 0.044 0.000 0.243 118 I C 2.054 178.223 176.117 0.087 0.000 1.085 118 I CA 4.151 65.504 61.300 0.089 0.000 1.347 118 I CB -0.462 37.591 38.000 0.089 0.000 1.044 118 I HN -0.339 7.982 8.210 0.185 0.000 0.408 119 Q N -1.454 118.417 119.800 0.117 0.000 2.084 119 Q HA -0.334 4.050 4.340 0.074 0.000 0.202 119 Q C 2.673 178.721 176.000 0.081 0.000 0.978 119 Q CA 2.700 58.571 55.803 0.115 0.000 0.844 119 Q CB -0.415 28.406 28.738 0.139 0.000 0.898 119 Q HN -0.662 7.688 8.270 0.134 0.000 0.426 120 F N 1.418 121.246 119.950 -0.203 0.000 2.102 120 F HA -0.438 3.446 4.527 -1.072 0.000 0.298 120 F C 0.977 176.585 175.800 -0.319 0.000 1.105 120 F CA 3.154 60.734 58.000 -0.701 0.000 1.239 120 F CB -0.139 38.254 39.000 -1.012 0.000 0.991 120 F HN 0.224 8.630 8.300 0.176 0.000 0.474 121 A N -2.009 120.772 122.820 -0.064 0.000 1.972 121 A HA -0.369 3.907 4.320 -0.074 0.000 0.219 121 A C 2.131 179.717 177.584 0.003 0.000 1.169 121 A CA 3.326 55.335 52.037 -0.047 0.000 0.635 121 A CB -1.045 17.907 19.000 -0.080 0.000 0.810 121 A HN 0.467 8.662 8.150 0.075 0.000 0.446 122 T N 2.268 116.805 114.554 -0.028 0.000 2.708 122 T HA -0.349 4.024 4.350 0.037 0.000 0.266 122 T C 1.911 176.540 174.700 -0.119 0.000 1.037 122 T CA 5.377 67.464 62.100 -0.022 0.000 1.146 122 T CB -0.487 68.378 68.868 -0.004 0.000 0.865 122 T HN -0.300 7.829 8.240 -0.024 0.096 0.435 123 A N 1.393 124.088 122.820 -0.207 0.000 1.902 123 A HA -0.369 3.839 4.320 -0.187 0.000 0.217 123 A C 1.602 178.985 177.584 -0.334 0.000 1.181 123 A CA 3.419 55.303 52.037 -0.255 0.000 0.623 123 A CB -0.544 18.299 19.000 -0.262 0.000 0.818 123 A HN -0.258 7.691 8.150 -0.212 0.074 0.443 124 V N -1.503 118.128 119.914 -0.473 0.000 2.343 124 V HA -0.387 3.482 4.120 -0.417 0.000 0.247 124 V C 2.515 178.379 176.094 -0.384 0.000 1.051 124 V CA 3.904 65.947 62.300 -0.429 0.000 1.036 124 V CB -0.754 30.791 31.823 -0.464 0.000 0.654 124 V HN 0.224 8.070 8.190 -0.574 0.000 0.451 125 G N -2.063 106.519 108.800 -0.363 0.000 2.402 125 G HA2 -0.287 2.914 3.960 -1.265 0.000 0.216 125 G HA3 -0.287 3.412 3.960 -0.435 0.000 0.216 125 G C 1.948 176.619 174.900 -0.382 0.000 1.162 125 G CA 1.838 46.551 45.100 -0.644 0.000 0.777 125 G HN -0.034 8.043 8.290 -0.180 0.105 0.539 126 M N 1.909 121.359 119.600 -0.250 0.000 2.149 126 M HA -0.288 4.054 4.480 -0.229 0.000 0.261 126 M C 2.486 178.648 176.300 -0.231 0.000 1.064 126 M CA 1.670 56.829 55.300 -0.234 0.000 1.102 126 M CB -1.361 31.110 32.600 -0.215 0.000 1.369 126 M HN 0.207 8.370 8.290 -0.213 0.000 0.408 127 S N -0.694 114.867 115.700 -0.233 0.000 2.500 127 S HA -0.237 4.141 4.470 -0.154 0.000 0.239 127 S C 1.275 175.771 174.600 -0.173 0.000 0.989 127 S CA 2.750 60.840 58.200 -0.185 0.000 0.951 127 S CB -0.931 62.162 63.200 -0.179 0.000 0.759 127 S HN -0.076 7.970 8.310 -0.256 0.110 0.523 128 N N -0.815 117.748 118.700 -0.229 0.000 2.412 128 N HA 0.062 4.712 4.740 -0.149 0.000 0.184 128 N C -1.089 174.339 175.510 -0.138 0.000 1.101 128 N CA 0.258 53.191 53.050 -0.195 0.000 0.881 128 N CB 0.978 39.292 38.487 -0.288 0.000 0.969 128 N HN -0.533 7.496 8.380 -0.290 0.177 0.459 129 c N 0.241 118.763 118.600 -0.129 0.000 2.255 129 c HA 0.348 4.881 4.570 -0.061 0.000 0.326 129 c C -2.347 171.726 174.090 -0.028 0.000 1.258 129 c CA -2.500 53.786 56.329 -0.072 0.000 1.676 129 c CB -1.504 40.963 42.510 -0.072 0.000 2.314 129 c HN -0.555 7.402 8.230 -0.155 0.181 0.509 130 P HA -0.217 4.405 4.420 0.001 -0.201 0.263 130 P C 0.309 177.643 177.300 0.058 0.000 1.175 130 P CA 0.827 63.935 63.100 0.013 0.000 0.761 130 P CB 0.530 32.235 31.700 0.009 0.000 0.794 131 G N 2.440 111.275 108.800 0.058 0.000 2.199 131 G HA2 -0.472 3.535 3.960 0.079 0.000 0.254 131 G HA3 -0.472 3.678 3.960 0.122 -0.117 0.254 131 G C 0.218 175.233 174.900 0.191 0.000 0.982 131 G CA 0.442 45.608 45.100 0.110 0.000 0.632 131 G HN 0.036 8.346 8.290 0.034 0.000 0.529 132 S N 2.799 118.552 115.700 0.089 0.000 2.572 132 S HA 0.384 4.856 4.470 0.003 0.000 0.279 132 S C -1.428 173.152 174.600 -0.033 0.000 1.341 132 S CA -1.913 56.239 58.200 -0.079 0.000 1.043 132 S CB 0.051 63.104 63.200 -0.245 0.000 0.887 132 S HN -0.176 nan 8.310 nan 0.000 0.516 133 P HA 0.075 4.508 4.420 0.022 0.000 0.275 133 P C -1.101 176.168 177.300 -0.052 0.000 1.266 133 P CA -0.576 62.523 63.100 -0.002 0.000 0.793 133 P CB 0.910 32.642 31.700 0.054 0.000 1.074 134 R N -1.345 119.135 120.500 -0.033 0.000 2.205 134 R HA -0.026 4.273 4.340 -0.068 0.000 0.342 134 R C -0.509 175.761 176.300 -0.050 0.000 1.058 134 R CA -0.576 55.495 56.100 -0.047 0.000 0.904 134 R CB -0.015 30.269 30.300 -0.027 0.000 1.089 134 R HN 0.223 8.484 8.270 -0.014 0.000 0.471 135 L N 4.813 125.990 121.223 -0.076 0.000 2.426 135 L HA -0.050 4.244 4.340 -0.077 0.000 0.271 135 L C 0.163 177.007 176.870 -0.044 0.000 1.169 135 L CA -0.523 54.271 54.840 -0.077 0.000 0.836 135 L CB 0.854 42.849 42.059 -0.107 0.000 1.112 135 L HN 0.257 8.430 8.230 -0.096 0.000 0.465 136 E N 1.408 121.585 120.200 -0.039 0.000 2.437 136 E HA -0.303 4.040 4.350 -0.011 0.000 0.263 136 E C -0.974 175.649 176.600 0.038 0.000 1.030 136 E CA 1.048 57.436 56.400 -0.020 0.000 0.934 136 E CB 0.725 30.393 29.700 -0.052 0.000 0.943 136 E HN 0.064 8.392 8.360 -0.054 0.000 0.444 137 F N 7.271 127.141 119.950 -0.132 0.000 2.562 137 F HA 0.316 4.738 4.527 -0.175 0.000 0.319 137 F C -2.684 172.997 175.800 -0.198 0.000 1.154 137 F CA -1.170 56.728 58.000 -0.171 0.000 0.931 137 F CB 2.917 41.823 39.000 -0.158 0.000 1.198 137 F HN 0.103 8.430 8.300 0.045 0.000 0.444 138 L N 7.024 127.597 121.223 -1.083 0.000 2.334 138 L HA 0.754 4.798 4.340 -0.787 -0.176 0.276 138 L C -1.399 174.683 176.870 -1.314 0.000 1.014 138 L CA -1.673 52.601 54.840 -0.944 0.000 0.815 138 L CB 3.174 44.946 42.059 -0.479 0.000 1.268 138 L HN -0.020 7.700 8.230 -0.850 0.000 0.428 139 T N 0.348 114.367 114.554 -0.892 0.000 2.908 139 T HA 0.272 4.354 4.350 -0.589 -0.086 0.290 139 T C -0.628 173.929 174.700 -0.238 0.000 1.034 139 T CA -0.865 60.906 62.100 -0.550 0.000 1.010 139 T CB 2.313 71.012 68.868 -0.282 0.000 1.068 139 T HN 0.410 8.244 8.240 -0.675 0.000 0.481 140 G N 5.971 114.702 108.800 -0.114 0.000 2.234 140 G HA2 -0.179 3.782 3.960 0.001 0.000 0.153 140 G HA3 -0.179 3.742 3.960 -0.065 0.000 0.153 140 G C -0.857 173.997 174.900 -0.076 0.000 1.013 140 G CA -0.003 45.063 45.100 -0.057 0.000 0.712 140 G HN 0.425 9.190 8.290 -0.076 -0.520 0.491 141 R N 0.772 121.156 120.500 -0.194 0.000 2.537 141 R HA -0.033 4.158 4.340 -0.247 0.000 0.280 141 R C -0.280 176.021 176.300 0.003 0.000 1.058 141 R CA 0.226 56.154 56.100 -0.286 0.000 1.057 141 R CB 0.325 30.174 30.300 -0.753 0.000 0.973 141 R HN -0.429 8.113 8.270 -0.223 -0.406 0.438 142 S N 2.024 117.839 115.700 0.191 0.000 2.563 142 S HA -0.107 4.424 4.470 0.101 0.000 0.284 142 S C 0.644 175.327 174.600 0.137 0.000 1.331 142 S CA 0.607 58.904 58.200 0.163 0.000 1.047 142 S CB 1.031 64.358 63.200 0.212 0.000 0.859 142 S HN 0.209 8.725 8.310 0.344 0.000 0.514 143 N N 3.177 121.911 118.700 0.056 0.000 2.515 143 N HA -0.121 4.632 4.740 0.021 0.000 0.185 143 N C -0.185 175.352 175.510 0.045 0.000 1.109 143 N CA 0.872 53.922 53.050 0.000 0.000 0.903 143 N CB 0.458 38.864 38.487 -0.136 0.000 0.969 143 N HN 0.204 8.603 8.380 0.032 0.000 0.450 144 S N 0.056 115.810 115.700 0.091 0.000 2.528 144 S HA 0.088 4.611 4.470 0.090 0.000 0.277 144 S C -0.895 173.818 174.600 0.187 0.000 1.297 144 S CA 0.601 58.868 58.200 0.112 0.000 1.052 144 S CB 0.303 63.556 63.200 0.088 0.000 0.917 144 S HN -0.646 7.654 8.310 0.095 0.068 0.492 145 S N 4.601 120.441 115.700 0.233 0.000 2.579 145 S HA 0.171 4.801 4.470 0.267 0.000 0.272 145 S C -1.765 173.040 174.600 0.342 0.000 1.141 145 S CA -0.714 57.672 58.200 0.310 0.000 0.843 145 S CB 2.505 65.932 63.200 0.378 0.000 1.122 145 S HN 0.152 8.598 8.310 0.228 0.000 0.468 146 Q N 0.336 120.242 119.800 0.177 0.000 2.248 146 Q HA 0.396 4.567 4.340 -0.281 0.000 0.263 146 Q C -2.334 173.621 176.000 -0.076 0.000 1.007 146 Q CA -2.844 52.877 55.803 -0.136 0.000 0.877 146 Q CB 1.141 29.600 28.738 -0.465 0.000 1.315 146 Q HN 0.267 8.679 8.270 0.236 0.000 0.454 147 P HA -0.144 4.288 4.420 0.020 0.000 0.268 147 P C -0.582 176.876 177.300 0.263 0.000 1.204 147 P CA -0.372 62.689 63.100 -0.066 0.000 0.768 147 P CB 0.444 32.074 31.700 -0.115 0.000 0.842 148 S N 4.816 120.703 115.700 0.312 0.000 2.558 148 S HA -0.040 4.586 4.470 0.259 0.000 0.291 148 S C -1.067 173.722 174.600 0.314 0.000 1.306 148 S CA -0.971 57.420 58.200 0.318 0.000 1.056 148 S CB -0.372 63.049 63.200 0.368 0.000 0.836 148 S HN 0.043 8.896 8.310 0.290 -0.369 0.504 149 P HA 0.122 4.606 4.420 0.106 0.000 0.269 149 P C -1.960 175.266 177.300 -0.125 0.000 1.217 149 P CA -1.113 62.016 63.100 0.050 0.000 0.783 149 P CB -0.669 30.997 31.700 -0.057 0.000 0.898 150 P HA 0.017 3.426 4.420 -1.685 0.000 0.276 150 P C -0.885 176.105 177.300 -0.516 0.000 1.261 150 P CA -0.146 62.498 63.100 -0.760 0.000 0.800 150 P CB 1.072 32.530 31.700 -0.404 0.000 1.066 151 S N -3.162 112.199 115.700 -0.566 0.000 3.586 151 S HA -0.194 4.113 4.470 -0.272 0.000 0.309 151 S C 0.537 175.002 174.600 -0.226 0.000 1.195 151 S CA 1.302 59.322 58.200 -0.300 0.000 0.895 151 S CB -1.163 61.925 63.200 -0.188 0.000 0.983 151 S HN 0.155 7.979 8.310 -0.810 0.000 0.563 152 L N -1.655 119.410 121.223 -0.264 0.000 2.664 152 L HA 0.233 4.504 4.340 -0.116 0.000 0.233 152 L C -1.187 175.596 176.870 -0.145 0.000 1.113 152 L CA -0.381 54.365 54.840 -0.157 0.000 0.896 152 L CB 0.868 42.852 42.059 -0.126 0.000 1.163 152 L HN -0.016 7.956 8.230 -0.376 0.033 0.497 153 I N -1.276 119.167 120.570 -0.211 0.000 2.315 153 I HA 0.110 4.090 4.170 -0.317 0.000 0.291 153 I C -2.217 173.825 176.117 -0.125 0.000 1.006 153 I CA -3.171 57.962 61.300 -0.278 0.000 1.265 153 I CB -0.010 37.696 38.000 -0.489 0.000 1.387 153 I HN -0.608 7.457 8.210 -0.242 0.000 0.475 154 P HA -0.078 4.527 4.420 0.086 -0.133 0.264 154 P C -0.876 176.502 177.300 0.129 0.000 1.183 154 P CA -0.230 62.937 63.100 0.112 0.000 0.763 154 P CB 0.374 32.217 31.700 0.239 0.000 0.807 155 G N 1.415 110.296 108.800 0.135 0.000 2.473 155 G HA2 0.358 4.439 3.960 0.201 0.000 0.321 155 G HA3 0.358 4.431 3.960 0.189 0.000 0.321 155 G C -0.984 174.023 174.900 0.179 0.000 1.200 155 G CA -2.339 42.870 45.100 0.182 0.000 0.963 155 G HN -0.127 8.593 8.290 0.117 -0.359 0.483 156 P HA 0.064 4.572 4.420 0.146 0.000 0.233 156 P C 0.109 177.397 177.300 -0.020 0.000 1.167 156 P CA 0.875 64.041 63.100 0.110 0.000 0.770 156 P CB 0.849 32.619 31.700 0.116 0.000 0.837 157 G N -3.591 105.183 108.800 -0.043 0.000 3.042 157 G HA2 -0.014 3.854 3.960 -0.154 0.000 0.212 157 G HA3 -0.014 3.890 3.960 -0.094 0.000 0.212 157 G C -0.635 174.278 174.900 0.022 0.000 1.166 157 G CA -0.978 44.072 45.100 -0.084 0.000 0.767 157 G HN -0.031 8.246 8.290 0.060 0.049 0.546 158 N N 1.556 120.292 118.700 0.059 0.000 2.525 158 N HA 0.028 4.802 4.740 0.057 0.000 0.271 158 N C -0.721 174.811 175.510 0.036 0.000 1.194 158 N CA 0.012 53.097 53.050 0.058 0.000 0.964 158 N CB 1.390 39.923 38.487 0.075 0.000 1.126 158 N HN -0.536 7.715 8.380 0.077 0.176 0.452 159 T N -4.281 110.290 114.554 0.028 0.000 2.802 159 T HA 0.003 4.355 4.350 0.004 0.000 0.305 159 T C 1.010 175.725 174.700 0.025 0.000 1.053 159 T CA -0.452 61.657 62.100 0.016 0.000 1.058 159 T CB 1.806 70.681 68.868 0.012 0.000 0.988 159 T HN -0.126 8.132 8.240 0.031 0.000 0.539 160 V N 1.074 120.996 119.914 0.013 0.000 2.332 160 V HA -0.375 3.765 4.120 0.035 0.000 0.248 160 V C 1.772 177.887 176.094 0.035 0.000 1.055 160 V CA 4.447 66.760 62.300 0.022 0.000 1.038 160 V CB -0.419 31.404 31.823 -0.000 0.000 0.651 160 V HN 0.640 8.829 8.190 -0.001 0.000 0.450 161 T N 0.152 114.721 114.554 0.025 0.000 2.665 161 T HA -0.354 4.016 4.350 0.032 0.000 0.268 161 T C 1.426 176.149 174.700 0.039 0.000 1.035 161 T CA 3.984 66.102 62.100 0.029 0.000 1.151 161 T CB -0.797 68.082 68.868 0.019 0.000 0.862 161 T HN 0.084 8.334 8.240 0.017 0.000 0.438 162 A N -0.337 122.506 122.820 0.038 0.000 1.902 162 A HA -0.267 4.076 4.320 0.038 0.000 0.217 162 A C 1.453 179.075 177.584 0.063 0.000 1.181 162 A CA 2.606 54.669 52.037 0.044 0.000 0.623 162 A CB 0.095 19.119 19.000 0.040 0.000 0.818 162 A HN -0.499 7.671 8.150 0.034 0.000 0.443 163 I N -1.215 119.400 120.570 0.075 0.000 2.179 163 I HA -0.539 3.701 4.170 0.116 0.000 0.242 163 I C 2.031 178.217 176.117 0.115 0.000 1.088 163 I CA 4.564 65.927 61.300 0.105 0.000 1.357 163 I CB -0.043 38.024 38.000 0.111 0.000 1.051 163 I HN -0.240 8.009 8.210 0.066 0.000 0.409 164 L N 0.145 121.426 121.223 0.096 0.000 2.141 164 L HA -0.441 3.975 4.340 0.126 0.000 0.209 164 L C 2.556 179.486 176.870 0.100 0.000 1.094 164 L CA 2.810 57.712 54.840 0.104 0.000 0.763 164 L CB -1.134 40.975 42.059 0.084 0.000 0.908 164 L HN 0.185 8.463 8.230 0.081 0.000 0.437 165 D N 0.843 121.289 120.400 0.076 0.000 2.117 165 D HA -0.181 4.461 4.640 0.003 0.000 0.198 165 D C 2.033 178.377 176.300 0.074 0.000 0.982 165 D CA 2.057 56.095 54.000 0.063 0.000 0.828 165 D CB 0.092 40.917 40.800 0.041 0.000 0.967 165 D HN 0.085 nan 8.370 nan 0.000 0.464 166 R N -0.199 120.351 120.500 0.085 0.000 2.062 166 R HA -0.241 4.137 4.340 0.063 0.000 0.231 166 R C 2.085 178.479 176.300 0.156 0.000 1.136 166 R CA 1.884 58.039 56.100 0.093 0.000 0.948 166 R CB -0.110 30.242 30.300 0.087 0.000 0.845 166 R HN -0.327 7.994 8.270 0.084 0.000 0.430 167 M N -2.096 117.629 119.600 0.208 0.000 2.159 167 M HA -0.228 4.500 4.480 0.413 0.000 0.263 167 M C 2.333 178.822 176.300 0.316 0.000 1.063 167 M CA 2.244 57.743 55.300 0.331 0.000 1.110 167 M CB -1.038 31.742 32.600 0.300 0.000 1.374 167 M HN 0.236 8.635 8.290 0.182 0.000 0.411 168 G N -0.751 108.167 108.800 0.196 0.000 2.418 168 G HA2 -0.419 3.871 3.960 0.151 0.000 0.217 168 G HA3 -0.419 3.654 3.960 0.107 -0.049 0.217 168 G C 0.782 175.733 174.900 0.085 0.000 1.158 168 G CA 1.988 47.169 45.100 0.135 0.000 0.771 168 G HN 0.285 8.558 8.290 0.170 0.118 0.545 169 D N 1.657 122.101 120.400 0.074 0.000 2.092 169 D HA -0.336 4.308 4.640 0.007 0.000 0.193 169 D C 1.866 178.192 176.300 0.043 0.000 0.994 169 D CA 2.579 56.596 54.000 0.028 0.000 0.828 169 D CB -0.192 40.611 40.800 0.005 0.000 0.963 169 D HN -0.461 7.959 8.370 0.084 0.000 0.450 170 A N -4.312 118.582 122.820 0.123 0.000 2.024 170 A HA -0.256 4.230 4.320 0.276 0.000 0.220 170 A C 0.085 177.688 177.584 0.032 0.000 1.164 170 A CA 1.662 53.825 52.037 0.210 0.000 0.643 170 A CB 0.406 19.622 19.000 0.360 0.000 0.806 170 A HN -0.394 7.848 8.150 0.153 0.000 0.451 171 G N -6.428 102.310 108.800 -0.104 0.000 2.559 171 G HA2 -0.119 3.767 3.960 -0.124 0.000 0.202 171 G HA3 -0.119 3.614 3.960 -0.378 0.000 0.202 171 G C -0.884 173.793 174.900 -0.372 0.000 0.992 171 G CA -0.465 44.470 45.100 -0.274 0.000 0.764 171 G HN -0.546 7.620 8.290 0.012 0.131 0.525 172 F N 2.197 122.202 119.950 0.092 0.000 2.404 172 F HA 0.453 5.217 4.527 0.063 -0.199 0.339 172 F C 0.118 175.958 175.800 0.068 0.000 1.105 172 F CA -1.612 56.433 58.000 0.075 0.000 1.087 172 F CB 1.339 40.391 39.000 0.086 0.000 1.143 172 F HN -0.343 7.993 8.300 0.059 0.000 0.491 173 S N 3.821 119.658 115.700 0.228 0.000 2.614 173 S HA 0.336 4.884 4.470 0.129 0.000 0.265 173 S C -0.079 174.619 174.600 0.164 0.000 1.303 173 S CA -1.355 56.938 58.200 0.156 0.000 1.000 173 S CB -0.577 62.691 63.200 0.113 0.000 0.935 173 S HN 0.128 8.872 8.310 0.226 -0.298 0.551 174 P HA -0.303 4.196 4.420 0.132 0.000 0.216 174 P C 1.146 178.523 177.300 0.128 0.000 1.153 174 P CA 3.082 66.256 63.100 0.124 0.000 0.858 174 P CB -0.190 31.569 31.700 0.099 0.000 0.789 175 D N -4.320 116.146 120.400 0.110 0.000 2.123 175 D HA -0.298 4.403 4.640 0.101 0.000 0.196 175 D C 2.420 178.779 176.300 0.099 0.000 0.992 175 D CA 3.281 57.340 54.000 0.097 0.000 0.833 175 D CB -0.731 40.112 40.800 0.072 0.000 0.954 175 D HN 0.306 8.737 8.370 0.101 0.000 0.455 176 E N -0.004 120.269 120.200 0.121 0.000 2.204 176 E HA -0.225 4.335 4.350 0.089 -0.156 0.194 176 E C 2.530 179.144 176.600 0.023 0.000 0.989 176 E CA 2.561 59.030 56.400 0.115 0.000 0.824 176 E CB -0.010 29.849 29.700 0.264 0.000 0.756 176 E HN -0.726 7.717 8.360 0.138 0.000 0.477 177 V N 0.853 120.802 119.914 0.058 0.000 2.295 177 V HA -0.415 3.626 4.120 -0.132 0.000 0.246 177 V C 1.843 177.965 176.094 0.047 0.000 1.049 177 V CA 4.513 66.814 62.300 0.002 0.000 1.024 177 V CB -0.793 31.082 31.823 0.087 0.000 0.648 177 V HN -0.331 7.826 8.190 0.117 0.103 0.447 178 V N -0.450 119.552 119.914 0.146 0.000 2.343 178 V HA -0.509 3.801 4.120 0.316 0.000 0.247 178 V C 1.571 177.737 176.094 0.120 0.000 1.051 178 V CA 4.002 66.431 62.300 0.215 0.000 1.036 178 V CB -1.037 30.944 31.823 0.262 0.000 0.654 178 V HN -0.297 7.983 8.190 0.149 0.000 0.451 179 D N -1.502 118.942 120.400 0.073 0.000 2.117 179 D HA -0.203 4.490 4.640 0.088 0.000 0.197 179 D C 3.046 179.437 176.300 0.152 0.000 0.987 179 D CA 2.691 56.747 54.000 0.093 0.000 0.829 179 D CB -0.269 40.573 40.800 0.070 0.000 0.961 179 D HN -0.271 8.052 8.370 0.067 0.087 0.460 180 L N -0.392 120.835 121.223 0.006 0.000 2.131 180 L HA -0.307 4.056 4.340 0.039 0.000 0.210 180 L C 1.875 178.712 176.870 -0.055 0.000 1.092 180 L CA 2.713 57.516 54.840 -0.063 0.000 0.759 180 L CB -0.158 41.674 42.059 -0.378 0.000 0.903 180 L HN 0.043 8.241 8.230 -0.054 0.000 0.435 181 L N -3.366 117.776 121.223 -0.136 0.000 2.622 181 L HA -0.238 3.784 4.340 -0.529 0.000 0.233 181 L C 1.303 177.932 176.870 -0.402 0.000 1.156 181 L CA 0.855 55.489 54.840 -0.343 0.000 0.866 181 L CB -1.063 40.866 42.059 -0.217 0.000 0.980 181 L HN -0.415 7.651 8.230 -0.074 0.120 0.448 182 A N 0.473 123.234 122.820 -0.098 0.000 2.076 182 A HA -0.323 3.791 4.320 -0.344 0.000 0.220 182 A C 1.214 178.603 177.584 -0.324 0.000 1.160 182 A CA 2.513 54.422 52.037 -0.213 0.000 0.653 182 A CB -0.963 18.001 19.000 -0.060 0.000 0.801 182 A HN -0.310 7.723 8.150 0.094 0.173 0.455 183 A N -1.427 121.274 122.820 -0.197 0.000 2.076 183 A HA -0.348 3.940 4.320 -0.054 0.000 0.220 183 A C 1.569 179.063 177.584 -0.150 0.000 1.160 183 A CA 2.304 54.288 52.037 -0.090 0.000 0.653 183 A CB -0.740 18.296 19.000 0.060 0.000 0.801 183 A HN -0.425 7.645 8.150 -0.082 0.031 0.455 184 H N -2.920 115.759 119.070 -0.652 0.000 2.563 184 H HA -0.149 4.092 4.556 -0.525 0.000 0.272 184 H C 0.944 175.792 175.328 -0.799 0.000 1.005 184 H CA 1.038 56.553 56.048 -0.889 0.000 1.171 184 H CB -0.221 28.615 29.762 -1.542 0.000 1.351 184 H HN -0.176 7.605 8.280 -0.587 0.147 0.602 185 S N -1.472 113.937 115.700 -0.484 0.000 2.515 185 S HA -0.139 4.421 4.470 -0.143 -0.176 0.231 185 S C -0.129 174.407 174.600 -0.107 0.000 0.987 185 S CA 1.964 60.020 58.200 -0.239 0.000 0.936 185 S CB 0.313 63.290 63.200 -0.370 0.000 0.766 185 S HN -0.375 7.439 8.310 -0.534 0.176 0.528 186 L N 0.477 121.651 121.223 -0.083 0.000 2.637 186 L HA 0.371 4.875 4.340 -0.026 -0.180 0.241 186 L C -2.313 174.512 176.870 -0.075 0.000 1.398 186 L CA -0.917 53.902 54.840 -0.036 0.000 0.895 186 L CB 0.075 42.141 42.059 0.012 0.000 1.183 186 L HN -0.519 7.468 8.230 -0.118 0.173 0.497 187 A N -1.974 120.783 122.820 -0.105 0.000 2.594 187 A HA 0.299 4.530 4.320 -0.148 0.000 0.295 187 A C -2.216 175.277 177.584 -0.153 0.000 1.071 187 A CA -0.575 51.364 52.037 -0.163 0.000 0.685 187 A CB 2.813 21.636 19.000 -0.296 0.000 1.285 187 A HN -0.546 7.553 8.150 -0.085 0.000 0.405 188 S N -0.992 114.592 115.700 -0.194 0.000 2.720 188 S HA 0.692 5.187 4.470 -0.168 -0.126 0.287 188 S C -1.226 173.194 174.600 -0.300 0.000 1.168 188 S CA -1.316 56.756 58.200 -0.213 0.000 0.832 188 S CB 3.682 66.756 63.200 -0.209 0.000 1.166 188 S HN 0.160 8.348 8.310 -0.204 0.000 0.493 189 Q N -1.064 118.502 119.800 -0.391 0.000 2.348 189 Q HA 0.393 4.516 4.340 -0.362 0.000 0.271 189 Q C -0.060 175.679 176.000 -0.435 0.000 1.067 189 Q CA -1.186 54.342 55.803 -0.459 0.000 0.839 189 Q CB 2.385 30.652 28.738 -0.785 0.000 1.354 189 Q HN 0.013 8.058 8.270 -0.375 0.000 0.447 190 E N 0.826 120.816 120.200 -0.351 0.000 2.474 190 E HA 0.078 4.199 4.350 -0.381 0.000 0.215 190 E C 0.813 177.387 176.600 -0.043 0.000 0.867 190 E CA 0.422 56.645 56.400 -0.294 0.000 1.135 190 E CB 1.604 31.102 29.700 -0.337 0.000 1.147 190 E HN 0.455 8.646 8.360 -0.281 0.000 0.534 191 G N -1.615 107.153 108.800 -0.054 0.000 3.044 191 G HA2 0.149 4.147 3.960 0.063 0.000 0.223 191 G HA3 0.149 4.131 3.960 0.037 0.000 0.223 191 G C 0.599 175.531 174.900 0.052 0.000 1.123 191 G CA 0.393 45.510 45.100 0.028 0.000 0.765 191 G HN -0.195 8.029 8.290 -0.111 0.000 0.546 192 L N -0.909 120.312 121.223 -0.004 0.000 2.202 192 L HA 0.088 4.566 4.340 0.229 0.000 0.205 192 L C -0.944 176.026 176.870 0.166 0.000 1.083 192 L CA 1.100 56.009 54.840 0.114 0.000 0.790 192 L CB 1.060 43.150 42.059 0.052 0.000 0.942 192 L HN -0.508 7.867 8.230 -0.120 -0.217 0.452 193 N N -4.209 114.541 118.700 0.084 0.000 2.581 193 N HA 0.139 4.981 4.740 0.170 0.000 0.279 193 N C -0.296 175.285 175.510 0.117 0.000 1.124 193 N CA -0.648 52.498 53.050 0.160 0.000 0.833 193 N CB 1.425 40.089 38.487 0.294 0.000 1.338 193 N HN -0.283 8.410 8.380 -0.037 -0.335 0.533 194 S N 3.640 119.412 115.700 0.121 0.000 2.474 194 S HA -0.080 4.492 4.470 0.169 0.000 0.235 194 S C 0.974 175.650 174.600 0.127 0.000 0.997 194 S CA 1.880 60.158 58.200 0.131 0.000 0.949 194 S CB -0.187 63.070 63.200 0.094 0.000 0.766 194 S HN 0.501 8.882 8.310 0.118 0.000 0.517 195 A N 1.298 124.188 122.820 0.116 0.000 2.123 195 A HA 0.069 4.439 4.320 0.083 0.000 0.214 195 A C 0.325 177.980 177.584 0.118 0.000 1.152 195 A CA 0.850 52.948 52.037 0.101 0.000 0.728 195 A CB 0.257 19.310 19.000 0.088 0.000 0.814 195 A HN -0.066 8.084 8.150 0.120 0.072 0.464 196 I N -7.001 113.654 120.570 0.142 0.000 2.925 196 I HA 0.306 4.559 4.170 0.139 0.000 0.296 196 I C -1.517 174.685 176.117 0.142 0.000 1.413 196 I CA -2.359 59.027 61.300 0.142 0.000 0.932 196 I CB -0.087 38.000 38.000 0.145 0.000 1.873 196 I HN -0.758 7.500 8.210 0.144 0.039 0.619 197 F N 5.493 125.446 119.950 0.005 0.000 2.608 197 F HA -0.301 4.204 4.527 -0.038 0.000 0.380 197 F C 0.297 176.083 175.800 -0.023 0.000 1.083 197 F CA 2.162 60.150 58.000 -0.019 0.000 1.266 197 F CB 0.317 39.310 39.000 -0.011 0.000 1.076 197 F HN -0.284 8.201 8.300 0.308 0.000 0.574 198 R N 0.818 121.010 120.500 -0.513 0.000 3.770 198 R HA -0.491 3.630 4.340 -0.462 -0.058 0.305 198 R C -0.746 175.463 176.300 -0.152 0.000 1.184 198 R CA 0.824 56.684 56.100 -0.400 0.000 0.823 198 R CB -2.731 27.352 30.300 -0.361 0.000 1.285 198 R HN 0.133 8.002 8.270 -0.669 0.000 0.499 199 S N -1.136 114.506 115.700 -0.097 0.000 2.515 199 S HA 0.322 4.816 4.470 0.040 0.000 0.285 199 S C -1.226 173.371 174.600 -0.005 0.000 1.265 199 S CA -1.098 57.106 58.200 0.007 0.000 1.079 199 S CB -0.002 63.256 63.200 0.096 0.000 0.877 199 S HN -0.570 7.616 8.310 -0.119 0.052 0.493 200 P HA 0.161 4.743 4.420 -0.027 -0.178 0.274 200 P C 0.438 177.792 177.300 0.091 0.000 1.237 200 P CA -0.516 62.601 63.100 0.029 0.000 0.793 200 P CB 0.869 32.602 31.700 0.055 0.000 0.977 201 L N -2.909 118.353 121.223 0.065 0.000 2.446 201 L HA 0.290 4.943 4.340 0.195 -0.196 0.219 201 L C 0.087 177.088 176.870 0.217 0.000 1.116 201 L CA 0.420 55.351 54.840 0.152 0.000 0.844 201 L CB 0.455 42.565 42.059 0.086 0.000 0.970 201 L HN 0.263 8.388 8.230 0.003 0.106 0.457 202 D N -4.871 115.630 120.400 0.168 0.000 2.579 202 D HA 0.172 5.227 4.640 0.205 -0.292 0.257 202 D C -0.069 176.334 176.300 0.171 0.000 1.176 202 D CA -2.253 51.861 54.000 0.189 0.000 0.914 202 D CB 2.516 43.431 40.800 0.192 0.000 1.431 202 D HN -0.790 7.648 8.370 0.113 0.000 0.454 203 S N -3.121 112.701 115.700 0.203 0.000 2.555 203 S HA -0.143 4.434 4.470 0.177 0.000 0.230 203 S C 0.543 175.184 174.600 0.068 0.000 0.978 203 S CA 1.536 59.828 58.200 0.153 0.000 0.934 203 S CB 0.210 63.476 63.200 0.110 0.000 0.766 203 S HN -0.003 8.806 8.310 0.223 -0.366 0.533 204 T N -1.962 112.626 114.554 0.056 0.000 3.504 204 T HA 0.570 4.931 4.350 0.018 0.000 0.286 204 T C -1.059 173.649 174.700 0.013 0.000 1.530 204 T CA -2.704 59.410 62.100 0.024 0.000 1.652 204 T CB 0.071 68.947 68.868 0.012 0.000 0.895 204 T HN -0.378 8.094 8.240 0.072 -0.189 0.674 205 P HA 0.154 4.725 4.420 -0.013 -0.159 0.242 205 P C 0.065 177.358 177.300 -0.011 0.000 1.197 205 P CA 1.163 64.259 63.100 -0.007 0.000 0.765 205 P CB 0.184 31.875 31.700 -0.015 0.000 0.936 206 Q N -4.248 115.549 119.800 -0.005 0.000 2.172 206 Q HA 0.107 4.440 4.340 -0.011 0.000 0.217 206 Q C -1.536 174.467 176.000 0.005 0.000 0.832 206 Q CA -0.766 55.033 55.803 -0.006 0.000 1.010 206 Q CB 0.611 29.343 28.738 -0.011 0.000 1.133 206 Q HN -0.149 8.055 8.270 -0.001 0.065 0.489 207 V N -1.101 118.822 119.914 0.014 0.000 2.577 207 V HA 0.275 4.535 4.120 0.040 -0.115 0.303 207 V C -1.286 174.833 176.094 0.042 0.000 1.042 207 V CA -1.032 61.285 62.300 0.028 0.000 0.872 207 V CB 2.099 33.926 31.823 0.008 0.000 0.998 207 V HN -0.395 7.634 8.190 0.008 0.165 0.423 208 F N 9.837 129.738 119.950 -0.081 0.000 2.509 208 F HA 0.036 4.480 4.527 -0.139 0.000 0.350 208 F C -2.034 173.718 175.800 -0.080 0.000 1.220 208 F CA -0.474 57.457 58.000 -0.115 0.000 1.151 208 F CB -0.114 38.799 39.000 -0.146 0.000 1.379 208 F HN 0.560 8.970 8.300 0.184 0.000 0.610 209 D N 3.861 123.994 120.400 -0.444 0.000 2.744 209 D HA 0.414 5.014 4.640 -0.287 -0.133 0.304 209 D C 0.362 176.499 176.300 -0.272 0.000 1.179 209 D CA -1.800 52.026 54.000 -0.290 0.000 1.024 209 D CB 2.359 43.092 40.800 -0.112 0.000 1.453 209 D HN -0.259 7.842 8.370 -0.448 0.000 0.529 210 T N -7.103 107.380 114.554 -0.118 0.000 3.129 210 T HA 0.124 4.525 4.350 0.085 0.000 0.251 210 T C 1.510 176.250 174.700 0.067 0.000 1.117 210 T CA 0.458 62.565 62.100 0.011 0.000 1.034 210 T CB -0.639 68.225 68.868 -0.007 0.000 0.968 210 T HN 0.002 8.351 8.240 -0.099 -0.169 0.526 211 Q N 2.317 122.132 119.800 0.026 0.000 2.135 211 Q HA -0.301 4.087 4.340 0.081 0.000 0.204 211 Q C 1.454 177.503 176.000 0.082 0.000 0.981 211 Q CA 2.714 58.558 55.803 0.068 0.000 0.856 211 Q CB -1.204 27.574 28.738 0.068 0.000 0.902 211 Q HN -0.537 7.850 8.270 -0.016 -0.126 0.425 212 F N 1.209 121.081 119.950 -0.129 0.000 2.126 212 F HA -0.314 4.159 4.527 -0.090 0.000 0.299 212 F C 1.442 177.134 175.800 -0.180 0.000 1.096 212 F CA 3.353 61.232 58.000 -0.202 0.000 1.255 212 F CB -0.406 38.344 39.000 -0.416 0.000 0.997 212 F HN -0.504 7.928 8.300 0.097 -0.074 0.479 213 Y N -2.475 117.657 120.300 -0.280 0.000 2.263 213 Y HA -0.302 3.833 4.550 -0.692 0.000 0.292 213 Y C 2.765 178.655 175.900 -0.018 0.000 1.130 213 Y CA 3.242 61.096 58.100 -0.410 0.000 1.179 213 Y CB -0.181 37.997 38.460 -0.470 0.000 0.998 213 Y HN -0.743 7.469 8.280 -0.093 0.012 0.532 214 I N -0.624 120.050 120.570 0.173 0.000 2.179 214 I HA -0.575 3.796 4.170 0.335 0.000 0.242 214 I C 2.403 178.594 176.117 0.123 0.000 1.088 214 I CA 3.887 65.318 61.300 0.218 0.000 1.357 214 I CB -0.144 37.975 38.000 0.198 0.000 1.051 214 I HN -0.589 7.709 8.210 0.147 0.000 0.409 215 E N -1.585 118.647 120.200 0.053 0.000 2.216 215 E HA -0.193 4.173 4.350 0.028 0.000 0.192 215 E C 2.786 179.332 176.600 -0.090 0.000 0.988 215 E CA 2.841 59.242 56.400 0.002 0.000 0.834 215 E CB -0.061 29.668 29.700 0.048 0.000 0.772 215 E HN 0.138 8.522 8.360 0.041 0.000 0.479 216 T N -1.772 112.716 114.554 -0.110 0.000 2.962 216 T HA -0.162 4.101 4.350 -0.145 0.000 0.270 216 T C 0.985 175.630 174.700 -0.092 0.000 1.088 216 T CA 3.099 65.125 62.100 -0.123 0.000 1.127 216 T CB -0.403 68.368 68.868 -0.163 0.000 0.883 216 T HN -0.368 7.788 8.240 -0.141 0.000 0.493 217 L N -0.445 120.770 121.223 -0.013 0.000 2.554 217 L HA 0.086 4.362 4.340 -0.108 0.000 0.226 217 L C -0.343 176.459 176.870 -0.113 0.000 1.137 217 L CA -0.460 54.346 54.840 -0.057 0.000 0.863 217 L CB 0.060 42.143 42.059 0.041 0.000 0.985 217 L HN -0.799 7.332 8.230 0.054 0.132 0.451 218 L N -1.539 119.619 121.223 -0.108 0.000 2.439 218 L HA -0.051 4.410 4.340 -0.126 -0.198 0.269 218 L C 0.207 176.998 176.870 -0.131 0.000 1.179 218 L CA -0.062 54.706 54.840 -0.119 0.000 0.828 218 L CB 0.502 42.501 42.059 -0.100 0.000 1.106 218 L HN -0.944 7.067 8.230 -0.092 0.164 0.467 219 K N 1.509 121.840 120.400 -0.116 0.000 2.511 219 K HA -0.292 4.125 4.320 -0.111 -0.163 0.280 219 K C 0.470 177.000 176.600 -0.117 0.000 1.008 219 K CA 0.798 57.020 56.287 -0.107 0.000 1.050 219 K CB 0.385 32.834 32.500 -0.085 0.000 0.889 219 K HN 0.146 8.330 8.250 -0.109 0.000 0.484 220 G N 1.348 110.074 108.800 -0.123 0.000 2.356 220 G HA2 -0.004 3.985 3.960 -0.156 0.000 0.273 220 G HA3 -0.004 3.876 3.960 -0.135 0.000 0.273 220 G C -0.245 174.594 174.900 -0.103 0.000 1.213 220 G CA 0.309 45.330 45.100 -0.132 0.000 0.955 220 G HN 0.341 8.560 8.290 -0.119 0.000 0.454 221 T N -0.701 113.794 114.554 -0.098 0.000 2.969 221 T HA 0.188 4.503 4.350 -0.059 0.000 0.258 221 T C 0.393 175.062 174.700 -0.053 0.000 0.962 221 T CA -0.119 61.943 62.100 -0.064 0.000 0.903 221 T CB 1.402 70.246 68.868 -0.040 0.000 1.177 221 T HN 0.190 8.359 8.240 -0.118 0.000 0.511 222 T N 6.376 120.889 114.554 -0.068 0.000 2.824 222 T HA 0.274 4.609 4.350 -0.025 0.000 0.282 222 T C -2.293 172.370 174.700 -0.062 0.000 0.993 222 T CA -0.213 61.860 62.100 -0.044 0.000 0.967 222 T CB 2.291 71.145 68.868 -0.023 0.000 0.960 222 T HN -0.187 7.996 8.240 -0.096 0.000 0.441 223 Q N 6.129 125.907 119.800 -0.038 0.000 2.390 223 Q HA 0.405 4.705 4.340 -0.067 0.000 0.249 223 Q C -0.996 175.002 176.000 -0.004 0.000 0.996 223 Q CA -3.285 52.496 55.803 -0.037 0.000 0.899 223 Q CB 1.072 29.794 28.738 -0.025 0.000 1.216 223 Q HN 0.414 8.669 8.270 -0.024 0.000 0.465 224 P HA 0.044 4.496 4.420 0.053 0.000 0.225 224 P C -0.567 176.774 177.300 0.069 0.000 1.156 224 P CA 0.224 63.355 63.100 0.051 0.000 0.787 224 P CB 0.605 32.352 31.700 0.078 0.000 0.802 225 G N -1.433 107.408 108.800 0.069 0.000 2.735 225 G HA2 0.361 4.369 3.960 0.079 0.000 0.301 225 G HA3 0.361 4.381 3.960 0.099 0.000 0.301 225 G C -2.018 172.915 174.900 0.055 0.000 1.279 225 G CA -1.976 43.171 45.100 0.078 0.000 1.019 225 G HN -0.559 7.739 8.290 0.056 0.026 0.497 226 P HA 0.003 4.444 4.420 0.034 0.000 0.226 226 P C -1.105 176.217 177.300 0.038 0.000 1.153 226 P CA 0.715 63.839 63.100 0.041 0.000 0.777 226 P CB 0.372 32.096 31.700 0.041 0.000 0.794 227 S N -4.570 111.158 115.700 0.047 0.000 2.688 227 S HA 0.095 4.584 4.470 0.031 0.000 0.275 227 S C -2.546 172.086 174.600 0.055 0.000 1.175 227 S CA -1.321 56.905 58.200 0.044 0.000 0.818 227 S CB 2.572 65.800 63.200 0.047 0.000 1.157 227 S HN -0.679 7.622 8.310 0.059 0.044 0.482 228 L N 0.283 121.534 121.223 0.048 0.000 2.334 228 L HA 0.130 4.646 4.340 0.046 -0.148 0.277 228 L C 0.734 177.669 176.870 0.108 0.000 1.075 228 L CA -0.520 54.350 54.840 0.051 0.000 0.804 228 L CB 1.166 43.230 42.059 0.008 0.000 1.174 228 L HN 0.173 8.427 8.230 0.041 0.000 0.438 229 G N 0.449 109.351 108.800 0.169 0.000 2.583 229 G HA2 0.316 4.400 3.960 0.206 0.000 0.280 229 G HA3 0.316 4.655 3.960 0.297 -0.200 0.280 229 G C -1.622 173.429 174.900 0.252 0.000 1.376 229 G CA -1.190 44.053 45.100 0.239 0.000 1.043 229 G HN 0.423 9.198 8.290 0.174 -0.382 0.538 230 F N 1.752 121.793 119.950 0.152 0.000 2.504 230 F HA -0.243 4.342 4.527 0.096 0.000 0.369 230 F C -0.273 175.628 175.800 0.169 0.000 1.082 230 F CA 0.727 58.803 58.000 0.127 0.000 1.216 230 F CB 0.952 40.014 39.000 0.104 0.000 1.108 230 F HN -0.528 8.024 8.300 0.419 0.000 0.554 231 A N 3.048 125.487 122.820 -0.636 0.000 2.860 231 A HA -0.406 3.621 4.320 -0.488 0.000 0.267 231 A C -1.803 175.668 177.584 -0.188 0.000 1.421 231 A CA 0.964 52.676 52.037 -0.542 0.000 0.831 231 A CB -1.878 16.651 19.000 -0.785 0.000 1.041 231 A HN 0.373 8.192 8.150 -0.552 0.000 0.623 232 E N -1.505 118.614 120.200 -0.135 0.000 2.249 232 E HA 0.246 4.458 4.350 -0.458 -0.136 0.280 232 E C -0.575 175.855 176.600 -0.283 0.000 1.016 232 E CA -0.284 55.941 56.400 -0.292 0.000 0.830 232 E CB 1.694 31.248 29.700 -0.245 0.000 1.081 232 E HN -0.809 7.444 8.360 -0.105 0.044 0.395 233 E N 3.318 123.299 120.200 -0.364 0.000 2.320 233 E HA 0.279 4.509 4.350 -0.200 0.000 0.264 233 E C -0.546 175.889 176.600 -0.275 0.000 0.923 233 E CA -2.107 54.139 56.400 -0.257 0.000 0.796 233 E CB 2.862 32.438 29.700 -0.207 0.000 1.262 233 E HN 0.538 8.594 8.360 -0.507 0.000 0.428 234 L N -0.527 120.578 121.223 -0.196 0.000 2.514 234 L HA -0.162 4.188 4.340 -0.177 -0.116 0.280 234 L C 0.971 177.717 176.870 -0.206 0.000 1.223 234 L CA 0.870 55.604 54.840 -0.177 0.000 0.864 234 L CB -0.014 41.968 42.059 -0.128 0.000 1.118 234 L HN 0.233 8.364 8.230 -0.165 0.000 0.494 235 S N 3.112 118.686 115.700 -0.210 0.000 2.767 235 S HA 0.486 4.801 4.470 -0.260 0.000 0.300 235 S C -1.261 173.172 174.600 -0.279 0.000 1.123 235 S CA -1.811 56.235 58.200 -0.256 0.000 0.992 235 S CB 0.949 63.999 63.200 -0.250 0.000 1.138 235 S HN 0.641 8.841 8.310 -0.184 0.000 0.550 236 P HA 0.417 4.698 4.420 -0.232 0.000 0.261 236 P C -1.456 175.650 177.300 -0.324 0.000 1.268 236 P CA 0.164 63.015 63.100 -0.416 0.000 0.833 236 P CB 0.678 32.059 31.700 -0.532 0.000 1.231 237 F N -5.982 113.962 119.950 -0.010 0.000 2.741 237 F HA 0.396 4.919 4.527 -0.007 0.000 0.311 237 F C -3.564 172.240 175.800 0.007 0.000 1.149 237 F CA -3.713 54.286 58.000 -0.003 0.000 0.930 237 F CB -0.319 38.682 39.000 0.001 0.000 1.312 237 F HN -0.683 7.249 8.300 -0.612 0.000 0.450 238 P HA -0.054 4.439 4.420 0.122 0.000 0.265 238 P C 0.370 177.798 177.300 0.213 0.000 1.187 238 P CA 1.072 64.275 63.100 0.171 0.000 0.766 238 P CB -0.125 31.646 31.700 0.118 0.000 0.820 239 G N 1.279 110.171 108.800 0.153 0.000 2.284 239 G HA2 -0.483 3.554 3.960 0.128 0.000 0.247 239 G HA3 -0.483 3.792 3.960 0.153 -0.223 0.247 239 G C -1.486 173.519 174.900 0.176 0.000 1.012 239 G CA 0.508 45.700 45.100 0.154 0.000 0.618 239 G HN 0.445 8.809 8.290 0.124 0.000 0.521 240 E N 1.470 121.785 120.200 0.191 0.000 2.227 240 E HA 0.266 4.888 4.350 0.173 -0.168 0.282 240 E C -1.233 175.426 176.600 0.098 0.000 1.015 240 E CA -0.929 55.552 56.400 0.135 0.000 0.823 240 E CB 1.625 31.320 29.700 -0.007 0.000 1.081 240 E HN -0.886 7.510 8.360 0.214 0.092 0.396 241 F N 7.839 127.781 119.950 -0.014 0.000 2.422 241 F HA 0.186 4.698 4.527 -0.025 0.000 0.333 241 F C -2.066 173.719 175.800 -0.025 0.000 1.095 241 F CA -0.439 57.548 58.000 -0.021 0.000 1.038 241 F CB 3.457 42.449 39.000 -0.014 0.000 1.156 241 F HN 0.379 8.840 8.300 0.268 0.000 0.483 242 R N 6.577 126.813 120.500 -0.440 0.000 2.476 242 R HA 0.391 4.744 4.340 0.022 0.000 0.305 242 R C -2.137 173.954 176.300 -0.347 0.000 0.965 242 R CA -1.461 54.504 56.100 -0.226 0.000 0.867 242 R CB 3.468 33.633 30.300 -0.225 0.000 1.176 242 R HN 0.483 8.234 8.270 -0.864 0.000 0.447 243 M N 5.020 124.663 119.600 0.071 0.000 2.342 243 M HA 0.757 5.407 4.480 0.021 -0.157 0.332 243 M C 0.001 176.314 176.300 0.022 0.000 1.166 243 M CA 0.168 55.547 55.300 0.131 0.000 1.086 243 M CB 2.802 35.609 32.600 0.344 0.000 1.541 243 M HN 0.510 8.930 8.290 0.216 0.000 0.462 244 R N 1.671 122.148 120.500 -0.037 0.000 2.081 244 R HA -0.409 3.874 4.340 -0.095 0.000 0.235 244 R C 1.834 178.118 176.300 -0.027 0.000 1.131 244 R CA 4.263 60.321 56.100 -0.070 0.000 0.960 244 R CB 0.018 30.251 30.300 -0.111 0.000 0.856 244 R HN 0.686 8.927 8.270 -0.048 0.000 0.436 245 S N -0.810 114.909 115.700 0.031 0.000 2.370 245 S HA -0.257 4.227 4.470 0.023 0.000 0.226 245 S C 2.016 176.654 174.600 0.064 0.000 1.033 245 S CA 3.195 61.431 58.200 0.060 0.000 1.011 245 S CB -1.362 61.913 63.200 0.124 0.000 0.852 245 S HN -0.284 8.052 8.310 0.044 0.000 0.457 246 D N 3.337 123.831 120.400 0.157 0.000 2.117 246 D HA -0.213 4.598 4.640 0.286 0.000 0.197 246 D C 1.766 177.998 176.300 -0.113 0.000 0.987 246 D CA 2.881 57.006 54.000 0.207 0.000 0.829 246 D CB -0.654 40.440 40.800 0.490 0.000 0.961 246 D HN -0.611 7.877 8.370 0.198 0.000 0.460 247 A N 0.254 123.016 122.820 -0.097 0.000 1.908 247 A HA -0.248 3.937 4.320 -0.224 0.000 0.218 247 A C 2.079 179.506 177.584 -0.261 0.000 1.181 247 A CA 2.938 54.860 52.037 -0.191 0.000 0.627 247 A CB -0.290 18.622 19.000 -0.146 0.000 0.818 247 A HN -0.459 7.672 8.150 -0.032 0.000 0.445 248 L N -2.701 118.404 121.223 -0.197 0.000 2.072 248 L HA -0.384 3.851 4.340 -0.176 0.000 0.205 248 L C 2.174 178.887 176.870 -0.262 0.000 1.079 248 L CA 2.650 57.380 54.840 -0.185 0.000 0.752 248 L CB -0.041 41.954 42.059 -0.107 0.000 0.906 248 L HN -0.285 7.847 8.230 -0.144 0.012 0.436 249 L N -2.570 118.459 121.223 -0.323 0.000 2.141 249 L HA -0.296 3.911 4.340 -0.221 0.000 0.209 249 L C 1.984 178.358 176.870 -0.826 0.000 1.094 249 L CA 2.636 57.236 54.840 -0.401 0.000 0.763 249 L CB -0.207 41.720 42.059 -0.220 0.000 0.908 249 L HN -0.148 7.923 8.230 -0.264 0.000 0.437 250 A N -4.083 117.924 122.820 -1.356 0.000 2.019 250 A HA -0.275 2.429 4.320 -2.693 0.000 0.219 250 A C 1.322 178.498 177.584 -0.680 0.000 1.164 250 A CA 2.598 53.625 52.037 -1.683 0.000 0.644 250 A CB -0.241 17.968 19.000 -1.318 0.000 0.805 250 A HN -0.283 7.165 8.150 -1.146 0.014 0.449 251 R N -5.713 114.523 120.500 -0.438 0.000 2.335 251 R HA 0.043 4.260 4.340 -0.205 0.000 0.210 251 R C -0.215 175.990 176.300 -0.158 0.000 0.892 251 R CA 0.214 56.170 56.100 -0.240 0.000 1.048 251 R CB 1.214 31.395 30.300 -0.199 0.000 1.067 251 R HN -0.738 7.095 8.270 -0.464 0.158 0.524 252 D N 1.007 121.310 120.400 -0.162 0.000 2.389 252 D HA 0.059 4.652 4.640 -0.078 0.000 0.247 252 D C 0.968 177.237 176.300 -0.051 0.000 1.128 252 D CA 0.669 54.615 54.000 -0.090 0.000 0.884 252 D CB 2.485 43.239 40.800 -0.078 0.000 1.194 252 D HN -0.515 7.722 8.370 -0.221 0.000 0.441 253 S N 5.943 121.625 115.700 -0.029 0.000 2.440 253 S HA -0.218 4.247 4.470 -0.008 0.000 0.238 253 S C 1.691 176.296 174.600 0.008 0.000 1.010 253 S CA 2.134 60.329 58.200 -0.009 0.000 0.972 253 S CB -0.335 62.862 63.200 -0.005 0.000 0.774 253 S HN 0.521 8.812 8.310 -0.032 0.000 0.501 254 R N -0.578 119.929 120.500 0.011 0.000 2.240 254 R HA -0.009 4.350 4.340 0.032 0.000 0.203 254 R C 1.692 178.024 176.300 0.054 0.000 1.011 254 R CA 1.753 57.871 56.100 0.031 0.000 1.007 254 R CB 0.488 30.808 30.300 0.032 0.000 0.911 254 R HN 0.121 8.707 8.270 0.001 -0.316 0.468 255 T N -7.733 106.854 114.554 0.053 0.000 2.986 255 T HA 0.376 4.805 4.350 0.132 0.000 0.264 255 T C 0.551 175.337 174.700 0.142 0.000 0.964 255 T CA 0.597 62.765 62.100 0.113 0.000 0.895 255 T CB 1.377 70.322 68.868 0.129 0.000 1.163 255 T HN -0.220 7.879 8.240 0.024 0.156 0.517 256 A N 2.645 125.503 122.820 0.064 0.000 1.969 256 A HA -0.121 4.351 4.320 0.065 -0.114 0.218 256 A C 0.767 178.434 177.584 0.139 0.000 1.169 256 A CA 3.315 55.395 52.037 0.071 0.000 0.635 256 A CB -0.442 18.558 19.000 0.000 0.000 0.810 256 A HN 0.165 8.334 8.150 0.031 0.000 0.445 257 c N -1.717 116.942 118.600 0.098 0.000 2.466 257 c HA -0.258 4.361 4.570 0.082 0.000 0.278 257 c C 1.960 176.098 174.090 0.080 0.000 1.288 257 c CA 3.619 59.996 56.329 0.080 0.000 1.722 257 c CB -1.916 40.623 42.510 0.048 0.000 2.017 257 c HN 0.288 8.565 8.230 0.079 0.000 0.488 258 R N -0.056 120.501 120.500 0.095 0.000 2.081 258 R HA -0.296 4.047 4.340 0.005 0.000 0.235 258 R C 1.594 177.920 176.300 0.044 0.000 1.131 258 R CA 2.425 58.558 56.100 0.056 0.000 0.960 258 R CB -0.674 29.674 30.300 0.080 0.000 0.856 258 R HN -0.091 8.242 8.270 0.105 0.000 0.436 259 W N -0.916 120.359 121.300 -0.041 0.000 2.335 259 W HA -0.363 4.246 4.660 -0.086 0.000 0.311 259 W C 2.355 178.827 176.519 -0.079 0.000 1.213 259 W CA 4.078 61.408 57.345 -0.024 0.000 1.274 259 W CB -0.187 29.333 29.460 0.101 0.000 1.148 259 W HN -0.163 8.238 8.180 0.369 0.000 0.498 260 Q N -0.620 119.336 119.800 0.261 0.000 2.124 260 Q HA -0.370 4.105 4.340 0.225 0.000 0.202 260 Q C 2.385 178.330 176.000 -0.091 0.000 0.977 260 Q CA 3.312 59.193 55.803 0.131 0.000 0.850 260 Q CB 0.058 28.883 28.738 0.144 0.000 0.901 260 Q HN 0.008 8.454 8.270 0.293 0.000 0.429 261 S N -1.184 114.453 115.700 -0.104 0.000 2.474 261 S HA -0.097 4.278 4.470 -0.160 0.000 0.235 261 S C 1.505 175.960 174.600 -0.242 0.000 0.997 261 S CA 2.567 60.672 58.200 -0.158 0.000 0.949 261 S CB -0.636 62.499 63.200 -0.109 0.000 0.766 261 S HN -0.213 7.985 8.310 -0.049 0.083 0.517 262 M N 0.159 119.528 119.600 -0.385 0.000 2.319 262 M HA -0.012 4.201 4.480 -0.446 0.000 0.265 262 M C 1.900 177.987 176.300 -0.356 0.000 1.068 262 M CA 0.886 55.849 55.300 -0.561 0.000 1.118 262 M CB -0.786 30.962 32.600 -1.421 0.000 1.395 262 M HN -0.536 7.365 8.290 -0.387 0.156 0.435 263 T N -5.797 108.604 114.554 -0.255 0.000 2.833 263 T HA -0.092 4.229 4.350 -0.048 0.000 0.269 263 T C 0.885 175.507 174.700 -0.129 0.000 1.054 263 T CA 2.688 64.710 62.100 -0.131 0.000 1.135 263 T CB -0.129 68.670 68.868 -0.115 0.000 0.869 263 T HN -0.448 7.476 8.240 -0.259 0.160 0.466 264 S N -1.615 113.982 115.700 -0.172 0.000 2.524 264 S HA -0.021 4.387 4.470 -0.103 0.000 0.215 264 S C -0.414 174.127 174.600 -0.098 0.000 0.986 264 S CA 0.158 58.280 58.200 -0.130 0.000 0.911 264 S CB 0.850 63.957 63.200 -0.154 0.000 0.805 264 S HN -0.084 8.079 8.310 -0.203 0.025 0.501 265 S N 2.505 118.139 115.700 -0.109 0.000 2.745 265 S HA 0.311 4.741 4.470 -0.066 0.000 0.283 265 S C 0.005 174.555 174.600 -0.083 0.000 1.170 265 S CA -0.595 57.555 58.200 -0.083 0.000 1.119 265 S CB 0.629 63.782 63.200 -0.077 0.000 1.035 265 S HN -0.704 7.525 8.310 -0.134 0.000 0.483 266 N N 9.385 128.045 118.700 -0.065 0.000 2.205 266 N HA -0.321 4.357 4.740 -0.103 0.000 0.186 266 N C 1.217 176.716 175.510 -0.017 0.000 1.015 266 N CA 3.137 56.150 53.050 -0.062 0.000 0.862 266 N CB -0.092 38.369 38.487 -0.042 0.000 0.986 266 N HN 0.601 8.948 8.380 -0.056 0.000 0.429 267 E N 1.164 121.358 120.200 -0.009 0.000 2.072 267 E HA -0.231 4.140 4.350 0.036 0.000 0.190 267 E C 2.218 178.826 176.600 0.013 0.000 0.982 267 E CA 2.537 58.945 56.400 0.014 0.000 0.803 267 E CB 0.082 29.784 29.700 0.004 0.000 0.755 267 E HN 0.046 8.366 8.360 -0.021 0.027 0.453 268 V N 0.537 120.441 119.914 -0.016 0.000 2.427 268 V HA -0.176 3.946 4.120 0.003 0.000 0.248 268 V C 1.745 177.831 176.094 -0.013 0.000 1.051 268 V CA 1.116 63.404 62.300 -0.021 0.000 1.048 268 V CB -0.494 31.299 31.823 -0.050 0.000 0.666 268 V HN -0.219 nan 8.190 nan 0.000 0.456 269 M N 1.870 121.445 119.600 -0.041 0.000 2.108 269 M HA -0.253 4.185 4.480 -0.070 0.000 0.261 269 M C 2.140 178.519 176.300 0.131 0.000 1.066 269 M CA 3.222 58.501 55.300 -0.035 0.000 1.107 269 M CB 0.205 32.726 32.600 -0.133 0.000 1.356 269 M HN -0.021 8.232 8.290 -0.062 0.000 0.406 270 G N -1.455 107.456 108.800 0.184 0.000 2.408 270 G HA2 -0.341 3.959 3.960 0.567 0.000 0.217 270 G HA3 -0.341 3.793 3.960 0.290 0.000 0.217 270 G C 1.522 176.557 174.900 0.225 0.000 1.150 270 G CA 2.220 47.519 45.100 0.331 0.000 0.776 270 G HN -0.018 8.340 8.290 0.113 0.000 0.542 271 Q N 2.455 122.330 119.800 0.125 0.000 2.050 271 Q HA -0.186 4.156 4.340 0.003 0.000 0.202 271 Q C 2.915 178.966 176.000 0.085 0.000 0.980 271 Q CA 2.053 57.905 55.803 0.082 0.000 0.840 271 Q CB -0.214 28.550 28.738 0.044 0.000 0.898 271 Q HN 0.319 nan 8.270 nan 0.000 0.424 272 R N -0.476 120.079 120.500 0.092 0.000 2.081 272 R HA -0.306 4.067 4.340 0.055 0.000 0.235 272 R C 2.078 178.455 176.300 0.129 0.000 1.131 272 R CA 2.900 59.050 56.100 0.083 0.000 0.960 272 R CB 0.156 30.487 30.300 0.051 0.000 0.856 272 R HN -0.265 8.055 8.270 0.085 0.000 0.436 273 Y N 0.684 121.023 120.300 0.064 0.000 2.181 273 Y HA -0.371 4.207 4.550 0.047 0.000 0.288 273 Y C 1.242 177.153 175.900 0.018 0.000 1.146 273 Y CA 3.109 61.252 58.100 0.072 0.000 1.164 273 Y CB 0.040 38.628 38.460 0.212 0.000 0.982 273 Y HN 0.078 8.555 8.280 0.329 0.000 0.515 274 R N -0.634 119.891 120.500 0.042 0.000 2.091 274 R HA -0.526 3.697 4.340 -0.195 0.000 0.238 274 R C 2.046 178.285 176.300 -0.101 0.000 1.136 274 R CA 3.483 59.531 56.100 -0.087 0.000 0.959 274 R CB -0.259 30.041 30.300 0.000 0.000 0.856 274 R HN 0.128 8.509 8.270 0.184 0.000 0.437 275 A N -1.986 120.813 122.820 -0.035 0.000 1.898 275 A HA -0.207 4.100 4.320 -0.022 0.000 0.216 275 A C 1.867 179.440 177.584 -0.017 0.000 1.181 275 A CA 2.869 54.895 52.037 -0.018 0.000 0.620 275 A CB -0.889 18.118 19.000 0.012 0.000 0.819 275 A HN -0.192 7.949 8.150 0.000 0.009 0.442 276 A N -1.356 121.446 122.820 -0.029 0.000 1.898 276 A HA -0.339 4.048 4.320 0.112 0.000 0.216 276 A C 1.854 179.407 177.584 -0.052 0.000 1.181 276 A CA 2.834 54.875 52.037 0.006 0.000 0.620 276 A CB -0.432 18.550 19.000 -0.030 0.000 0.819 276 A HN -0.343 7.785 8.150 -0.036 0.000 0.442 277 M N -2.294 117.160 119.600 -0.243 0.000 2.175 277 M HA -0.305 4.040 4.480 -0.226 0.000 0.264 277 M C 2.415 178.650 176.300 -0.108 0.000 1.063 277 M CA 1.581 56.721 55.300 -0.266 0.000 1.119 277 M CB -1.102 31.191 32.600 -0.513 0.000 1.377 277 M HN 0.220 8.313 8.290 -0.329 0.000 0.415 278 A N -0.687 122.080 122.820 -0.089 0.000 1.902 278 A HA -0.276 4.008 4.320 -0.060 0.000 0.217 278 A C 1.335 178.915 177.584 -0.007 0.000 1.181 278 A CA 2.912 54.920 52.037 -0.049 0.000 0.623 278 A CB -0.728 18.242 19.000 -0.049 0.000 0.818 278 A HN -0.131 7.951 8.150 -0.113 0.000 0.443 279 K N -2.148 118.275 120.400 0.038 0.000 2.057 279 K HA -0.305 4.022 4.320 0.012 0.000 0.207 279 K C 2.547 179.216 176.600 0.115 0.000 1.049 279 K CA 2.744 59.071 56.287 0.066 0.000 0.931 279 K CB -0.063 32.512 32.500 0.125 0.000 0.714 279 K HN -0.547 7.726 8.250 0.038 0.000 0.440 280 M N -1.269 118.482 119.600 0.252 0.000 2.229 280 M HA -0.227 4.551 4.480 0.496 0.000 0.264 280 M C 1.520 177.909 176.300 0.148 0.000 1.063 280 M CA 3.301 58.806 55.300 0.343 0.000 1.114 280 M CB 0.102 32.883 32.600 0.301 0.000 1.387 280 M HN -0.166 8.260 8.290 0.228 0.000 0.420 281 S N -1.960 113.780 115.700 0.066 0.000 2.507 281 S HA -0.160 4.411 4.470 0.042 -0.076 0.235 281 S C 0.411 175.013 174.600 0.004 0.000 0.988 281 S CA 2.380 60.593 58.200 0.021 0.000 0.944 281 S CB -0.394 62.788 63.200 -0.029 0.000 0.762 281 S HN -0.054 8.154 8.310 0.050 0.133 0.526 282 V N -6.720 113.207 119.914 0.021 0.000 3.159 282 V HA 0.449 4.641 4.120 0.120 0.000 0.333 282 V C -0.885 175.231 176.094 0.036 0.000 1.424 282 V CA -2.607 59.733 62.300 0.068 0.000 1.125 282 V CB -0.602 31.233 31.823 0.020 0.000 1.075 282 V HN -0.771 7.365 8.190 0.018 0.065 0.482 283 L N 2.098 123.269 121.223 -0.087 0.000 2.559 283 L HA -0.137 3.813 4.340 -0.650 0.000 0.274 283 L C 1.129 177.712 176.870 -0.477 0.000 1.205 283 L CA 1.676 56.219 54.840 -0.495 0.000 0.907 283 L CB -0.555 41.188 42.059 -0.527 0.000 1.153 283 L HN -0.730 7.381 8.230 -0.023 0.105 0.490 284 G N 1.825 110.148 108.800 -0.796 0.000 2.175 284 G HA2 -0.370 3.367 3.960 -0.373 0.000 0.244 284 G HA3 -0.370 3.445 3.960 -0.599 -0.214 0.244 284 G C -0.735 173.636 174.900 -0.881 0.000 0.982 284 G CA -0.067 44.657 45.100 -0.626 0.000 0.641 284 G HN 0.465 8.164 8.290 -0.985 0.000 0.527 285 F N -1.803 118.076 119.950 -0.119 0.000 2.613 285 F HA 0.140 4.651 4.527 -0.026 0.000 0.314 285 F C -1.800 173.961 175.800 -0.065 0.000 1.075 285 F CA -1.301 56.663 58.000 -0.061 0.000 0.945 285 F CB 3.086 42.050 39.000 -0.060 0.000 1.310 285 F HN -0.505 7.663 8.300 -0.128 0.056 0.467 286 D N 1.876 122.363 120.400 0.145 0.000 2.347 286 D HA 0.179 4.843 4.640 0.040 0.000 0.235 286 D C 0.856 177.191 176.300 0.058 0.000 1.149 286 D CA -1.304 52.737 54.000 0.068 0.000 0.850 286 D CB 0.295 41.122 40.800 0.046 0.000 1.061 286 D HN 0.192 8.669 8.370 0.179 0.000 0.487 287 R N 6.312 126.826 120.500 0.022 0.000 2.159 287 R HA -0.328 3.994 4.340 -0.029 0.000 0.237 287 R C 1.685 177.969 176.300 -0.027 0.000 1.131 287 R CA 2.472 58.561 56.100 -0.018 0.000 0.982 287 R CB -0.543 29.733 30.300 -0.039 0.000 0.868 287 R HN 0.502 8.781 8.270 0.016 0.000 0.453 288 N N -0.811 117.882 118.700 -0.011 0.000 2.520 288 N HA -0.173 4.554 4.740 -0.023 0.000 0.185 288 N C 0.256 175.760 175.510 -0.010 0.000 1.068 288 N CA 1.843 54.884 53.050 -0.014 0.000 0.911 288 N CB -0.061 38.422 38.487 -0.006 0.000 0.961 288 N HN -0.071 8.557 8.380 -0.003 -0.249 0.446 289 A N -1.924 120.897 122.820 0.002 0.000 2.238 289 A HA 0.152 4.476 4.320 0.005 0.000 0.210 289 A C -0.524 177.053 177.584 -0.012 0.000 1.179 289 A CA 0.058 52.101 52.037 0.009 0.000 0.827 289 A CB 0.911 19.936 19.000 0.040 0.000 0.856 289 A HN -0.298 7.681 8.150 0.010 0.177 0.488 290 L N -3.479 117.717 121.223 -0.045 0.000 2.365 290 L HA 0.300 4.648 4.340 -0.091 -0.063 0.267 290 L C 0.020 176.823 176.870 -0.112 0.000 1.033 290 L CA -1.239 53.541 54.840 -0.101 0.000 0.802 290 L CB 1.729 43.690 42.059 -0.164 0.000 1.267 290 L HN -0.779 7.246 8.230 -0.042 0.179 0.457 291 T N 2.393 116.857 114.554 -0.150 0.000 2.794 291 T HA 0.198 4.493 4.350 -0.092 0.000 0.280 291 T C -1.579 173.001 174.700 -0.199 0.000 0.987 291 T CA -0.414 61.610 62.100 -0.127 0.000 0.993 291 T CB 1.787 70.609 68.868 -0.078 0.000 0.939 291 T HN 0.359 8.489 8.240 -0.184 0.000 0.449 292 D N 5.136 125.448 120.400 -0.146 0.000 2.336 292 D HA 0.088 4.587 4.640 -0.236 0.000 0.249 292 D C -0.035 176.192 176.300 -0.120 0.000 1.213 292 D CA 0.054 53.958 54.000 -0.160 0.000 0.870 292 D CB -0.222 40.522 40.800 -0.094 0.000 1.076 292 D HN 0.371 8.680 8.370 -0.102 0.000 0.483 293 c N 6.035 124.531 118.600 -0.173 0.000 2.548 293 c HA 0.307 4.882 4.570 0.008 0.000 0.297 293 c C 1.094 175.247 174.090 0.105 0.000 1.422 293 c CA -1.563 54.755 56.329 -0.018 0.000 1.785 293 c CB -1.891 40.613 42.510 -0.010 0.000 2.593 293 c HN 0.320 8.354 8.230 -0.325 0.000 0.545 294 S N 2.823 118.550 115.700 0.045 0.000 2.440 294 S HA -0.287 4.260 4.470 0.128 0.000 0.238 294 S C 1.378 176.020 174.600 0.071 0.000 1.010 294 S CA 3.825 62.069 58.200 0.074 0.000 0.972 294 S CB -0.202 63.009 63.200 0.018 0.000 0.774 294 S HN -0.125 8.392 8.310 -0.015 -0.216 0.501 295 D N -2.201 118.244 120.400 0.076 0.000 2.348 295 D HA -0.201 4.487 4.640 0.079 0.000 0.216 295 D C 0.770 177.149 176.300 0.131 0.000 0.970 295 D CA 1.187 55.245 54.000 0.098 0.000 0.889 295 D CB -1.149 39.720 40.800 0.116 0.000 0.912 295 D HN 0.171 8.542 8.370 0.069 0.041 0.524 296 V N -1.407 118.557 119.914 0.083 0.000 2.809 296 V HA -0.148 4.025 4.120 0.089 0.000 0.256 296 V C 0.403 176.528 176.094 0.052 0.000 1.080 296 V CA 1.238 63.544 62.300 0.010 0.000 1.102 296 V CB -0.532 31.183 31.823 -0.181 0.000 0.705 296 V HN -0.652 7.535 8.190 0.080 0.051 0.475 297 I N -0.221 120.357 120.570 0.013 0.000 2.325 297 I HA 0.258 4.347 4.170 -0.136 0.000 0.291 297 I C -1.900 174.203 176.117 -0.023 0.000 1.019 297 I CA -4.334 56.923 61.300 -0.071 0.000 1.302 297 I CB -1.261 36.677 38.000 -0.103 0.000 1.401 297 I HN -0.578 7.492 8.210 0.039 0.163 0.485 298 P HA 0.188 4.619 4.420 0.018 0.000 0.278 298 P C -1.421 175.860 177.300 -0.031 0.000 1.266 298 P CA -1.244 61.852 63.100 -0.006 0.000 0.807 298 P CB 0.919 32.621 31.700 0.003 0.000 1.094 299 S N -2.402 113.289 115.700 -0.015 0.000 2.592 299 S HA 0.025 4.476 4.470 -0.032 0.000 0.271 299 S C -0.352 174.229 174.600 -0.033 0.000 1.326 299 S CA -0.441 57.745 58.200 -0.023 0.000 1.024 299 S CB 0.543 63.738 63.200 -0.008 0.000 0.921 299 S HN -0.202 8.106 8.310 -0.002 0.000 0.527 300 A N 1.968 124.763 122.820 -0.042 0.000 2.351 300 A HA 0.122 4.580 4.320 -0.056 -0.172 0.257 300 A C -0.059 177.511 177.584 -0.023 0.000 1.087 300 A CA -0.504 51.505 52.037 -0.045 0.000 0.798 300 A CB 0.865 19.833 19.000 -0.054 0.000 1.033 300 A HN 0.064 8.189 8.150 -0.043 0.000 0.488 301 V N 2.028 121.929 119.914 -0.022 0.000 2.673 301 V HA -0.071 4.045 4.120 -0.008 0.000 0.303 301 V C 0.054 176.147 176.094 -0.002 0.000 1.046 301 V CA 0.378 62.672 62.300 -0.011 0.000 1.126 301 V CB 1.436 33.251 31.823 -0.012 0.000 0.934 301 V HN 0.489 8.660 8.190 -0.030 0.000 0.487 302 S N 7.568 123.270 115.700 0.003 0.000 2.576 302 S HA -0.028 4.451 4.470 0.015 0.000 0.276 302 S C -0.760 173.846 174.600 0.010 0.000 1.339 302 S CA 0.463 58.669 58.200 0.009 0.000 1.039 302 S CB 0.688 63.892 63.200 0.008 0.000 0.902 302 S HN 0.055 8.366 8.310 0.001 0.000 0.516 303 N N 0.362 119.071 118.700 0.016 0.000 2.426 303 N HA 0.027 4.772 4.740 0.009 0.000 0.257 303 N C -0.008 175.505 175.510 0.006 0.000 1.002 303 N CA -0.023 53.034 53.050 0.012 0.000 0.942 303 N CB 0.624 39.123 38.487 0.019 0.000 1.112 303 N HN 0.230 8.623 8.380 0.023 0.000 0.499 304 N N 5.320 124.021 118.700 0.002 0.000 2.280 304 N HA 0.010 4.750 4.740 0.000 0.000 0.192 304 N C -0.561 174.948 175.510 -0.002 0.000 1.109 304 N CA 0.021 53.071 53.050 -0.000 0.000 0.855 304 N CB 0.368 38.855 38.487 -0.000 0.000 0.974 304 N HN 0.338 8.719 8.380 0.002 0.000 0.482 305 A N 1.389 124.207 122.820 -0.003 0.000 2.388 305 A HA 0.087 4.404 4.320 -0.004 0.000 0.257 305 A C -1.030 176.550 177.584 -0.006 0.000 1.095 305 A CA -0.034 52.000 52.037 -0.005 0.000 0.791 305 A CB 0.751 19.748 19.000 -0.005 0.000 1.029 305 A HN -0.627 7.757 8.150 -0.002 -0.235 0.489 306 A N 1.937 124.754 122.820 -0.005 0.000 2.316 306 A HA 0.238 4.553 4.320 -0.009 0.000 0.284 306 A C -1.948 175.635 177.584 -0.002 0.000 1.115 306 A CA -2.164 49.870 52.037 -0.005 0.000 0.812 306 A CB -0.176 18.822 19.000 -0.003 0.000 1.064 306 A HN 0.088 8.236 8.150 -0.004 0.000 0.489 307 P HA -0.047 4.558 4.420 0.011 -0.179 0.265 307 P C -0.047 177.268 177.300 0.025 0.000 1.187 307 P CA -0.259 62.846 63.100 0.009 0.000 0.766 307 P CB 0.299 31.998 31.700 -0.002 0.000 0.820 308 V N 4.319 124.259 119.914 0.043 0.000 3.087 308 V HA 0.523 4.645 4.120 0.003 0.000 0.306 308 V C -1.886 174.256 176.094 0.080 0.000 1.187 308 V CA -0.862 61.468 62.300 0.050 0.000 0.999 308 V CB 3.238 35.077 31.823 0.027 0.000 1.049 308 V HN -0.241 nan 8.190 nan 0.000 0.431 309 I N 5.364 125.985 120.570 0.085 0.000 2.322 309 I HA 0.367 4.610 4.170 0.122 0.000 0.292 309 I C -2.328 173.831 176.117 0.070 0.000 1.060 309 I CA -1.945 59.414 61.300 0.098 0.000 1.309 309 I CB 0.554 38.609 38.000 0.092 0.000 1.415 309 I HN 0.360 8.616 8.210 0.076 0.000 0.492 310 P HA 0.056 4.455 4.420 -0.036 0.000 0.274 310 P C -0.234 177.055 177.300 -0.019 0.000 1.237 310 P CA -0.097 62.996 63.100 -0.013 0.000 0.793 310 P CB 0.372 31.996 31.700 -0.127 0.000 0.977 311 G N -0.616 108.136 108.800 -0.081 0.000 2.160 311 G HA2 -0.394 3.646 3.960 -0.102 0.000 0.251 311 G HA3 -0.394 3.501 3.960 -0.108 0.000 0.251 311 G C -0.027 174.862 174.900 -0.019 0.000 1.008 311 G CA 0.487 45.539 45.100 -0.080 0.000 0.724 311 G HN 0.499 8.736 8.290 -0.088 0.000 0.514 312 G N -2.871 105.925 108.800 -0.007 0.000 2.179 312 G HA2 -0.426 3.681 3.960 0.002 0.000 0.260 312 G HA3 -0.426 3.534 3.960 0.001 0.000 0.260 312 G C 0.080 174.990 174.900 0.016 0.000 0.977 312 G CA -0.172 44.930 45.100 0.004 0.000 0.641 312 G HN -0.093 8.190 8.290 -0.011 0.000 0.533 313 L N 0.301 121.543 121.223 0.032 0.000 2.473 313 L HA -0.014 4.433 4.340 0.024 -0.093 0.268 313 L C -0.399 176.483 176.870 0.021 0.000 1.215 313 L CA 0.971 55.831 54.840 0.034 0.000 0.823 313 L CB 0.822 42.921 42.059 0.067 0.000 1.099 313 L HN -0.711 7.450 8.230 0.039 0.092 0.483 314 T N -6.828 107.727 114.554 0.002 0.000 2.742 314 T HA 0.280 4.638 4.350 0.013 0.000 0.282 314 T C 0.669 175.346 174.700 -0.038 0.000 1.025 314 T CA -2.400 59.699 62.100 -0.003 0.000 1.020 314 T CB 2.974 71.840 68.868 -0.003 0.000 1.317 314 T HN 0.060 8.688 8.240 -0.006 -0.391 0.538 315 V N 0.319 120.211 119.914 -0.037 0.000 2.720 315 V HA -0.155 3.840 4.120 -0.208 0.000 0.256 315 V C 1.225 177.237 176.094 -0.136 0.000 1.082 315 V CA 2.922 65.154 62.300 -0.113 0.000 1.101 315 V CB -0.307 31.507 31.823 -0.015 0.000 0.693 315 V HN 0.442 8.630 8.190 -0.003 0.000 0.479 316 D N -1.130 119.225 120.400 -0.075 0.000 2.264 316 D HA -0.158 4.437 4.640 -0.074 0.000 0.208 316 D C 0.672 176.919 176.300 -0.087 0.000 0.966 316 D CA 2.389 56.347 54.000 -0.071 0.000 0.864 316 D CB 0.050 40.826 40.800 -0.041 0.000 0.933 316 D HN -0.344 7.958 8.370 -0.050 0.037 0.499 317 D N -2.885 117.460 120.400 -0.092 0.000 2.349 317 D HA 0.074 4.667 4.640 -0.079 0.000 0.215 317 D C -0.632 175.585 176.300 -0.139 0.000 1.016 317 D CA 0.839 54.784 54.000 -0.091 0.000 0.870 317 D CB 0.793 41.561 40.800 -0.053 0.000 0.917 317 D HN -0.137 8.022 8.370 -0.085 0.160 0.524 318 I N -0.155 120.283 120.570 -0.220 0.000 2.371 318 I HA 0.025 4.186 4.170 -0.267 -0.151 0.290 318 I C 0.031 175.994 176.117 -0.257 0.000 1.028 318 I CA -1.445 59.658 61.300 -0.328 0.000 1.345 318 I CB -0.449 37.125 38.000 -0.710 0.000 1.407 318 I HN -0.631 7.261 8.210 -0.224 0.184 0.501 319 E N 9.145 129.227 120.200 -0.196 0.000 1.861 319 E HA -0.023 4.249 4.350 -0.130 0.000 0.263 319 E C -0.989 175.535 176.600 -0.128 0.000 1.137 319 E CA -0.949 55.365 56.400 -0.144 0.000 0.944 319 E CB -1.069 28.558 29.700 -0.122 0.000 1.092 319 E HN 0.211 8.459 8.360 -0.186 0.000 0.420 320 V N 3.625 123.464 119.914 -0.125 0.000 2.493 320 V HA -0.140 3.975 4.120 -0.008 0.000 0.292 320 V C 0.212 176.305 176.094 -0.001 0.000 1.016 320 V CA 1.302 63.580 62.300 -0.036 0.000 1.097 320 V CB -0.742 31.082 31.823 0.002 0.000 0.947 320 V HN -0.422 7.684 8.190 -0.140 0.000 0.479 321 S N 5.568 121.285 115.700 0.030 0.000 2.666 321 S HA 0.123 4.583 4.470 -0.017 0.000 0.239 321 S C -1.261 173.353 174.600 0.024 0.000 1.031 321 S CA -0.123 58.076 58.200 -0.000 0.000 1.015 321 S CB 1.621 64.794 63.200 -0.045 0.000 0.981 321 S HN 0.456 8.812 8.310 0.077 0.000 0.547 322 c N 4.223 122.860 118.600 0.062 0.000 2.200 322 c HA 0.653 5.248 4.570 0.042 0.000 0.328 322 c C -1.201 172.917 174.090 0.046 0.000 1.148 322 c CA -3.519 52.844 56.329 0.057 0.000 1.624 322 c CB -0.248 42.307 42.510 0.075 0.000 2.167 322 c HN -0.700 7.718 8.230 0.091 -0.133 0.484 323 P HA -0.036 4.397 4.420 0.023 0.000 0.233 323 P C -0.512 176.801 177.300 0.022 0.000 1.167 323 P CA 1.282 64.395 63.100 0.022 0.000 0.770 323 P CB 0.026 31.733 31.700 0.012 0.000 0.837 324 S N -4.168 111.546 115.700 0.024 0.000 2.539 324 S HA 0.097 4.577 4.470 0.016 0.000 0.221 324 S C -0.172 174.440 174.600 0.020 0.000 0.987 324 S CA -0.060 58.151 58.200 0.019 0.000 0.929 324 S CB 0.506 63.715 63.200 0.015 0.000 0.832 324 S HN -0.016 8.250 8.310 0.026 0.060 0.492 325 E N 1.683 121.900 120.200 0.029 0.000 2.275 325 E HA 0.484 4.842 4.350 0.014 0.000 0.270 325 E C -2.770 173.856 176.600 0.044 0.000 0.882 325 E CA -2.812 53.602 56.400 0.023 0.000 0.758 325 E CB 1.913 31.620 29.700 0.013 0.000 1.195 325 E HN -0.711 7.671 8.360 0.037 0.000 0.419 326 P HA 0.092 4.565 4.420 0.088 0.000 0.271 326 P C -1.093 176.257 177.300 0.083 0.000 1.218 326 P CA -0.314 62.826 63.100 0.067 0.000 0.780 326 P CB 0.768 32.493 31.700 0.042 0.000 0.901 327 F N 1.968 121.921 119.950 0.005 0.000 2.578 327 F HA -0.059 4.475 4.527 0.011 0.000 0.376 327 F C -1.395 174.407 175.800 0.005 0.000 1.085 327 F CA -1.587 56.418 58.000 0.008 0.000 1.260 327 F CB 0.281 39.287 39.000 0.010 0.000 1.095 327 F HN -0.018 8.447 8.300 0.275 0.000 0.573 328 P HA -0.053 4.251 4.420 -0.192 0.000 0.268 328 P C -1.780 175.438 177.300 -0.137 0.000 1.208 328 P CA -0.442 62.461 63.100 -0.329 0.000 0.777 328 P CB 0.896 32.344 31.700 -0.419 0.000 0.875 329 E N 1.201 121.373 120.200 -0.046 0.000 2.161 329 E HA -0.121 4.267 4.350 0.064 0.000 0.263 329 E C -0.840 175.768 176.600 0.013 0.000 1.185 329 E CA 0.080 56.491 56.400 0.017 0.000 0.938 329 E CB -1.081 28.624 29.700 0.009 0.000 1.023 329 E HN 0.199 8.523 8.360 -0.060 0.000 0.433 330 I N 5.623 126.235 120.570 0.071 0.000 2.433 330 I HA 0.057 4.247 4.170 0.033 0.000 0.292 330 I C -0.985 175.177 176.117 0.076 0.000 1.001 330 I CA -1.253 60.091 61.300 0.074 0.000 1.119 330 I CB 2.092 40.175 38.000 0.139 0.000 1.289 330 I HN -0.371 7.913 8.210 0.123 0.000 0.438 331 A N 7.251 130.099 122.820 0.047 0.000 2.466 331 A HA 0.122 4.464 4.320 0.036 0.000 0.238 331 A C -0.726 176.885 177.584 0.044 0.000 1.074 331 A CA 0.213 52.272 52.037 0.037 0.000 0.774 331 A CB 1.611 20.624 19.000 0.021 0.000 1.015 331 A HN 0.395 8.567 8.150 0.036 0.000 0.498 332 T N 0.342 114.917 114.554 0.034 0.000 2.893 332 T HA 0.645 5.166 4.350 0.038 -0.148 0.279 332 T C 0.977 175.685 174.700 0.015 0.000 0.991 332 T CA -1.523 60.595 62.100 0.030 0.000 0.950 332 T CB 1.581 70.464 68.868 0.026 0.000 1.223 332 T HN 0.102 8.360 8.240 0.029 0.000 0.585 333 A N -0.117 122.707 122.820 0.006 0.000 2.475 333 A HA 0.507 4.829 4.320 0.003 0.000 0.281 333 A C 0.130 177.708 177.584 -0.010 0.000 1.263 333 A CA -0.746 51.287 52.037 -0.007 0.000 0.776 333 A CB 0.719 19.707 19.000 -0.020 0.000 1.347 333 A HN 0.161 nan 8.150 nan 0.000 0.443 334 S N 0.215 115.905 115.700 -0.017 0.000 2.584 334 S HA 0.224 4.696 4.470 0.003 0.000 0.273 334 S C 1.374 175.961 174.600 -0.023 0.000 1.311 334 S CA -1.104 57.087 58.200 -0.016 0.000 1.034 334 S CB 0.454 63.644 63.200 -0.016 0.000 0.939 334 S HN 0.116 nan 8.310 nan 0.000 0.513 335 G N 1.503 110.293 108.800 -0.017 0.000 2.570 335 G HA2 0.234 4.196 3.960 0.003 0.000 0.276 335 G HA3 0.234 4.196 3.960 0.003 0.000 0.276 335 G C -2.175 172.710 174.900 -0.026 0.000 1.346 335 G CA -0.969 44.118 45.100 -0.021 0.000 1.034 335 G HN 0.161 nan 8.290 nan 0.000 0.512 336 P HA 0.031 nan 4.420 nan 0.000 0.302 336 P C 0.279 177.553 177.300 -0.045 0.000 1.307 336 P CA -0.989 62.097 63.100 -0.023 0.000 0.754 336 P CB 0.495 32.185 31.700 -0.016 0.000 1.298 337 L N 0.626 121.832 121.223 -0.029 0.000 2.514 337 L HA 0.083 4.425 4.340 0.003 0.000 0.280 337 L C -1.207 175.588 176.870 -0.125 0.000 1.223 337 L CA -2.039 52.769 54.840 -0.054 0.000 0.864 337 L CB -1.466 40.620 42.059 0.047 0.000 1.118 337 L HN -0.008 nan 8.230 nan 0.000 0.494 338 P HA 0.050 4.364 4.420 -0.178 0.000 0.276 338 P C -1.922 175.280 177.300 -0.163 0.000 1.261 338 P CA -0.567 62.367 63.100 -0.277 0.000 0.800 338 P CB 1.164 32.569 31.700 -0.492 0.000 1.066 339 S N -0.676 114.979 115.700 -0.075 0.000 2.596 339 S HA 0.109 4.822 4.470 0.070 -0.201 0.318 339 S C -0.019 174.592 174.600 0.019 0.000 1.097 339 S CA -1.083 57.126 58.200 0.015 0.000 1.080 339 S CB 0.811 64.028 63.200 0.028 0.000 0.991 339 S HN -0.150 8.112 8.310 -0.080 0.000 0.471 340 L N 7.753 129.025 121.223 0.082 0.000 2.360 340 L HA 0.108 4.467 4.340 0.033 0.000 0.276 340 L C 0.000 176.908 176.870 0.063 0.000 1.121 340 L CA -0.258 54.627 54.840 0.074 0.000 0.845 340 L CB 0.387 42.531 42.059 0.142 0.000 1.143 340 L HN 0.279 8.501 8.230 0.148 0.097 0.452 341 A N 5.702 128.545 122.820 0.039 0.000 2.406 341 A HA 0.089 4.435 4.320 0.043 0.000 0.243 341 A C -1.879 175.731 177.584 0.043 0.000 1.082 341 A CA -1.575 50.485 52.037 0.038 0.000 0.786 341 A CB -1.227 17.788 19.000 0.025 0.000 1.029 341 A HN 0.240 8.406 8.150 0.026 0.000 0.495 342 P HA -0.235 4.340 4.420 0.030 -0.138 0.266 342 P C -1.030 176.278 177.300 0.014 0.000 1.195 342 P CA 0.137 63.259 63.100 0.037 0.000 0.768 342 P CB 0.577 32.319 31.700 0.070 0.000 0.838 343 A N 5.442 128.251 122.820 -0.018 0.000 2.498 343 A HA 0.028 4.339 4.320 -0.014 0.000 0.239 343 A C -1.298 176.273 177.584 -0.023 0.000 1.068 343 A CA -1.028 50.991 52.037 -0.029 0.000 0.766 343 A CB -0.851 18.111 19.000 -0.063 0.000 1.003 343 A HN 0.238 8.367 8.150 -0.035 0.000 0.497 344 P HA 0.000 4.429 4.420 0.015 0.000 0.216 344 P CA 0.000 63.100 63.100 -0.001 0.000 0.800 344 P CB 0.000 31.699 31.700 -0.002 0.000 0.726