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 3lva_1_A DATA FIRST_RESID 2 DATA SEQUENCE SKGAELFTGI VPILIELNGD VNGHKFSVSG EGEGDATYGK LTLKFICTTG DATA SEQUENCE KLPVPWPTLV TTLXXXVQCF SRYPDHMKQH DFFKSAMPEG YIQERTIFFE DATA SEQUENCE DDGNYKSRAE VKFEGDTLVN RIELTGTDFK EDGNILGNKM EYNYNAHNVY DATA SEQUENCE IMTDKAKNGI KVNFKIRHNI EDGSVQLADH YQQNTPIGDG PVLLPDNHYL DATA SEQUENCE STQSALSKDP NEKRDHMIYF GFVTAAAITH GMDELYK 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 2 S HA 0.000 4.434 4.470 -0.060 0.000 0.327 2 S C 0.000 174.577 174.600 -0.038 0.000 1.055 2 S CA 0.000 58.162 58.200 -0.064 0.000 1.107 2 S CB 0.000 63.149 63.200 -0.085 0.000 0.593 3 K N 2.487 122.867 120.400 -0.033 0.000 2.097 3 K HA -0.101 4.204 4.320 -0.024 0.000 0.205 3 K C 2.237 178.832 176.600 -0.009 0.000 1.050 3 K CA 1.729 58.001 56.287 -0.025 0.000 0.938 3 K CB -0.067 32.415 32.500 -0.031 0.000 0.718 3 K HN 0.453 8.681 8.250 -0.037 0.000 0.442 4 G N -1.984 106.820 108.800 0.007 0.000 2.448 4 G HA2 -0.191 3.793 3.960 0.041 0.000 0.219 4 G HA3 -0.191 4.086 3.960 0.090 -0.264 0.219 4 G C 0.928 175.935 174.900 0.179 0.000 1.127 4 G CA 1.222 46.365 45.100 0.072 0.000 0.766 4 G HN 0.234 8.519 8.290 -0.008 0.000 0.552 5 A N 1.185 124.071 122.820 0.111 0.000 2.019 5 A HA -0.292 4.169 4.320 0.235 0.000 0.219 5 A C 1.799 179.489 177.584 0.177 0.000 1.164 5 A CA 2.260 54.388 52.037 0.151 0.000 0.644 5 A CB -0.639 18.373 19.000 0.020 0.000 0.805 5 A HN -0.491 7.658 8.150 0.042 0.026 0.449 6 E N -1.833 118.414 120.200 0.078 0.000 2.268 6 E HA -0.211 4.164 4.350 0.041 0.000 0.195 6 E C 2.219 178.814 176.600 -0.007 0.000 0.995 6 E CA 1.686 58.103 56.400 0.029 0.000 0.836 6 E CB -0.609 29.082 29.700 -0.015 0.000 0.763 6 E HN -0.473 7.889 8.360 0.048 0.027 0.491 7 L N -2.100 119.093 121.223 -0.050 0.000 2.552 7 L HA -0.168 3.993 4.340 -0.297 0.000 0.227 7 L C 0.596 177.259 176.870 -0.344 0.000 1.146 7 L CA 1.192 55.847 54.840 -0.308 0.000 0.858 7 L CB -0.021 41.658 42.059 -0.633 0.000 0.969 7 L HN -0.708 7.498 8.230 0.017 0.035 0.451 8 F N -5.015 114.963 119.950 0.047 0.000 2.683 8 F HA 0.274 4.894 4.527 0.155 0.000 0.306 8 F C 0.433 176.291 175.800 0.097 0.000 1.102 8 F CA -0.848 57.208 58.000 0.093 0.000 1.244 8 F CB 1.064 40.081 39.000 0.028 0.000 1.029 8 F HN -0.692 7.692 8.300 0.251 0.067 0.545 9 T N -2.683 111.978 114.554 0.178 0.000 3.035 9 T HA -0.063 4.370 4.350 0.137 0.000 0.268 9 T C 0.633 175.411 174.700 0.130 0.000 1.109 9 T CA 1.174 63.352 62.100 0.130 0.000 1.119 9 T CB 0.458 69.370 68.868 0.072 0.000 0.900 9 T HN -0.714 7.597 8.240 0.120 0.000 0.503 10 G N 1.074 109.955 108.800 0.135 0.000 3.217 10 G HA2 0.225 4.266 3.960 0.135 0.000 0.213 10 G HA3 0.225 4.243 3.960 0.097 0.000 0.213 10 G C -2.031 172.972 174.900 0.172 0.000 1.294 10 G CA -1.564 43.614 45.100 0.131 0.000 0.987 10 G HN -0.708 7.621 8.290 0.128 0.037 0.584 11 I N 0.029 120.678 120.570 0.132 0.000 2.352 11 I HA 0.306 4.735 4.170 0.153 -0.167 0.290 11 I C 0.000 176.191 176.117 0.123 0.000 1.036 11 I CA -2.033 59.341 61.300 0.123 0.000 1.336 11 I CB -0.659 37.382 38.000 0.067 0.000 1.407 11 I HN 0.075 8.347 8.210 0.104 0.000 0.497 12 V N 9.353 129.374 119.914 0.178 0.000 2.459 12 V HA 0.483 4.698 4.120 0.158 0.000 0.295 12 V C -2.105 174.045 176.094 0.094 0.000 1.029 12 V CA -3.450 58.971 62.300 0.201 0.000 0.874 12 V CB 2.239 34.313 31.823 0.418 0.000 0.985 12 V HN 0.311 8.626 8.190 0.208 0.000 0.438 13 P HA 0.232 4.760 4.420 -0.042 -0.134 0.275 13 P C -1.318 175.978 177.300 -0.007 0.000 1.228 13 P CA -0.548 62.551 63.100 -0.001 0.000 0.786 13 P CB 0.640 32.345 31.700 0.008 0.000 0.927 14 I N -0.435 120.094 120.570 -0.068 0.000 2.582 14 I HA 0.746 5.123 4.170 -0.025 -0.222 0.292 14 I C -0.997 175.078 176.117 -0.070 0.000 1.066 14 I CA -1.233 60.027 61.300 -0.066 0.000 1.053 14 I CB 4.218 42.137 38.000 -0.135 0.000 1.241 14 I HN -0.062 8.092 8.210 -0.094 0.000 0.421 15 L N 4.981 126.181 121.223 -0.038 0.000 2.365 15 L HA 0.709 5.185 4.340 -0.045 -0.163 0.273 15 L C -1.542 175.335 176.870 0.011 0.000 1.000 15 L CA -1.331 53.493 54.840 -0.025 0.000 0.819 15 L CB 4.035 46.086 42.059 -0.014 0.000 1.284 15 L HN 0.164 8.377 8.230 -0.027 0.000 0.418 16 I N 1.113 121.710 120.570 0.045 0.000 2.533 16 I HA 0.650 5.082 4.170 0.095 -0.206 0.290 16 I C -1.656 174.541 176.117 0.133 0.000 1.056 16 I CA -1.259 60.112 61.300 0.119 0.000 1.057 16 I CB 3.880 42.033 38.000 0.254 0.000 1.240 16 I HN 0.588 8.817 8.210 0.031 0.000 0.423 17 E N 5.143 125.407 120.200 0.107 0.000 2.256 17 E HA 0.741 5.311 4.350 0.118 -0.149 0.268 17 E C -2.121 174.526 176.600 0.078 0.000 0.877 17 E CA -1.960 54.496 56.400 0.094 0.000 0.757 17 E CB 3.959 33.692 29.700 0.055 0.000 1.183 17 E HN 0.376 8.790 8.360 0.090 0.000 0.418 18 L N 5.255 126.527 121.223 0.080 0.000 2.410 18 L HA 0.604 5.143 4.340 0.014 -0.191 0.270 18 L C -2.579 174.275 176.870 -0.026 0.000 0.983 18 L CA -1.185 53.675 54.840 0.035 0.000 0.822 18 L CB 4.129 46.229 42.059 0.068 0.000 1.285 18 L HN 0.611 8.903 8.230 0.104 0.000 0.409 19 N N 5.790 124.426 118.700 -0.106 0.000 2.392 19 N HA 0.607 5.341 4.740 -0.242 -0.139 0.283 19 N C -1.038 174.226 175.510 -0.411 0.000 1.003 19 N CA -1.133 51.781 53.050 -0.226 0.000 0.892 19 N CB 3.182 41.573 38.487 -0.160 0.000 1.193 19 N HN 0.003 8.329 8.380 -0.090 0.000 0.487 20 G N -0.118 108.167 108.800 -0.860 0.000 2.574 20 G HA2 0.392 4.190 3.960 -0.665 0.000 0.299 20 G HA3 0.392 3.326 3.960 -1.711 0.000 0.299 20 G C -3.157 171.129 174.900 -1.024 0.000 1.298 20 G CA -0.956 43.458 45.100 -1.142 0.000 0.952 20 G HN 0.539 8.215 8.290 -1.024 0.000 0.477 21 D N 1.465 121.540 120.400 -0.541 0.000 2.478 21 D HA 0.401 5.077 4.640 -0.230 -0.173 0.240 21 D C -1.688 174.561 176.300 -0.084 0.000 1.364 21 D CA -0.470 53.380 54.000 -0.250 0.000 0.987 21 D CB 2.747 43.443 40.800 -0.173 0.000 1.328 21 D HN -0.267 7.841 8.370 -0.438 0.000 0.584 22 V N 5.683 125.629 119.914 0.052 0.000 2.378 22 V HA 0.228 4.594 4.120 0.113 -0.177 0.288 22 V C -0.243 175.954 176.094 0.171 0.000 1.016 22 V CA -1.311 61.051 62.300 0.103 0.000 0.840 22 V CB 1.967 33.806 31.823 0.026 0.000 0.994 22 V HN 0.427 8.690 8.190 0.121 0.000 0.431 23 N N 8.550 127.359 118.700 0.182 0.000 2.708 23 N HA -0.489 4.330 4.740 0.132 0.000 0.249 23 N C 0.045 175.526 175.510 -0.050 0.000 1.097 23 N CA 1.526 54.663 53.050 0.145 0.000 0.710 23 N CB -0.654 37.987 38.487 0.256 0.000 1.032 23 N HN 0.761 9.265 8.380 0.208 0.000 0.551 24 G N -5.054 103.702 108.800 -0.074 0.000 2.199 24 G HA2 -0.485 3.479 3.960 -0.114 0.000 0.254 24 G HA3 -0.485 3.338 3.960 -0.228 0.000 0.254 24 G C -0.765 173.988 174.900 -0.244 0.000 0.982 24 G CA 0.229 45.222 45.100 -0.178 0.000 0.632 24 G HN -0.173 8.246 8.290 -0.016 -0.139 0.529 25 H N 2.838 121.916 119.070 0.014 0.000 2.705 25 H HA 0.046 4.614 4.556 0.020 0.000 0.291 25 H C -0.845 174.523 175.328 0.067 0.000 1.085 25 H CA -0.409 55.658 56.048 0.032 0.000 1.357 25 H CB 0.087 29.865 29.762 0.026 0.000 1.419 25 H HN -0.041 8.047 8.280 -0.018 0.181 0.462 26 K N 4.809 125.279 120.400 0.117 0.000 2.098 26 K HA 0.719 5.146 4.320 -0.155 -0.200 0.258 26 K C -0.934 175.740 176.600 0.123 0.000 0.973 26 K CA -0.933 55.346 56.287 -0.013 0.000 0.898 26 K CB 2.333 34.789 32.500 -0.073 0.000 1.057 26 K HN 0.220 8.528 8.250 0.096 0.000 0.447 27 F N -3.522 116.385 119.950 -0.072 0.000 2.693 27 F HA 0.485 4.976 4.527 -0.060 0.000 0.309 27 F C -2.351 173.410 175.800 -0.066 0.000 1.129 27 F CA -1.799 56.153 58.000 -0.080 0.000 0.948 27 F CB 2.258 41.175 39.000 -0.139 0.000 1.315 27 F HN 0.188 8.123 8.300 -0.608 0.000 0.447 28 S N -0.097 115.688 115.700 0.142 0.000 2.542 28 S HA 0.827 5.492 4.470 0.025 -0.181 0.293 28 S C -1.480 173.237 174.600 0.195 0.000 1.089 28 S CA -0.984 57.272 58.200 0.094 0.000 0.961 28 S CB 3.122 66.348 63.200 0.042 0.000 1.062 28 S HN -0.077 8.339 8.310 0.177 0.000 0.483 29 V N 3.370 123.405 119.914 0.203 0.000 2.638 29 V HA 0.616 5.105 4.120 0.301 -0.188 0.306 29 V C -2.009 174.237 176.094 0.254 0.000 1.052 29 V CA -1.548 60.918 62.300 0.276 0.000 0.885 29 V CB 3.956 35.968 31.823 0.316 0.000 0.999 29 V HN 0.518 8.804 8.190 0.161 0.000 0.424 30 S N 4.486 120.348 115.700 0.270 0.000 2.503 30 S HA 0.844 5.580 4.470 0.192 -0.151 0.301 30 S C -1.372 173.369 174.600 0.235 0.000 1.087 30 S CA -2.499 55.826 58.200 0.207 0.000 1.042 30 S CB 2.551 65.825 63.200 0.123 0.000 1.043 30 S HN 0.233 8.714 8.310 0.286 0.000 0.489 31 G N 2.035 110.921 108.800 0.143 0.000 2.659 31 G HA2 0.762 4.811 3.960 -0.217 0.000 0.296 31 G HA3 0.762 4.596 3.960 -0.209 0.000 0.296 31 G C -3.085 171.702 174.900 -0.187 0.000 1.369 31 G CA -0.519 44.506 45.100 -0.124 0.000 0.937 31 G HN 0.278 8.640 8.290 0.121 0.000 0.485 32 E N -0.227 119.788 120.200 -0.309 0.000 2.413 32 E HA 1.049 5.493 4.350 -0.185 -0.204 0.277 32 E C -1.308 175.121 176.600 -0.285 0.000 0.958 32 E CA -2.247 54.017 56.400 -0.225 0.000 0.779 32 E CB 3.795 33.411 29.700 -0.141 0.000 1.278 32 E HN -0.166 7.947 8.360 -0.410 0.000 0.456 33 G N -1.283 107.381 108.800 -0.226 0.000 2.566 33 G HA2 0.284 4.121 3.960 -0.205 0.000 0.138 33 G HA3 0.284 4.528 3.960 -0.281 -0.452 0.138 33 G C -2.737 172.040 174.900 -0.206 0.000 1.133 33 G CA 1.044 46.005 45.100 -0.232 0.000 1.037 33 G HN -0.261 7.917 8.290 -0.187 0.000 0.491 34 E N -1.777 118.275 120.200 -0.247 0.000 2.412 34 E HA 0.816 5.172 4.350 -0.248 -0.155 0.279 34 E C -2.147 174.215 176.600 -0.397 0.000 0.984 34 E CA -1.803 54.444 56.400 -0.254 0.000 0.788 34 E CB 4.271 33.885 29.700 -0.145 0.000 1.277 34 E HN 0.028 8.226 8.360 -0.271 0.000 0.455 35 G N -2.106 106.370 108.800 -0.539 0.000 2.524 35 G HA2 0.435 4.213 3.960 -0.564 0.000 0.310 35 G HA3 0.435 3.322 3.960 -1.789 0.000 0.310 35 G C -2.908 171.952 174.900 -0.067 0.000 1.279 35 G CA -1.056 43.597 45.100 -0.743 0.000 0.974 35 G HN 0.150 8.191 8.290 -0.414 0.000 0.484 36 D N 1.907 122.374 120.400 0.111 0.000 2.405 36 D HA 0.494 5.313 4.640 0.298 0.000 0.264 36 D C -0.376 176.126 176.300 0.336 0.000 1.240 36 D CA -1.771 52.384 54.000 0.259 0.000 0.893 36 D CB 1.376 42.290 40.800 0.191 0.000 1.198 36 D HN 0.139 8.542 8.370 0.055 0.000 0.514 37 A N 4.494 127.575 122.820 0.436 0.000 2.019 37 A HA -0.115 4.602 4.320 0.304 -0.215 0.219 37 A C 1.155 178.847 177.584 0.179 0.000 1.164 37 A CA 2.441 54.668 52.037 0.317 0.000 0.644 37 A CB -0.108 19.060 19.000 0.279 0.000 0.805 37 A HN 0.401 8.880 8.150 0.549 0.000 0.449 38 T N -1.083 113.562 114.554 0.152 0.000 2.803 38 T HA -0.395 3.918 4.350 -0.061 0.000 0.269 38 T C 0.417 174.965 174.700 -0.252 0.000 1.052 38 T CA 4.030 66.092 62.100 -0.064 0.000 1.136 38 T CB 0.175 68.972 68.868 -0.118 0.000 0.864 38 T HN -0.377 8.061 8.240 0.216 -0.069 0.467 39 Y N -4.699 115.662 120.300 0.103 0.000 2.445 39 Y HA 0.020 4.620 4.550 0.083 0.000 0.247 39 Y C 0.293 176.252 175.900 0.098 0.000 1.129 39 Y CA -0.570 57.585 58.100 0.093 0.000 1.251 39 Y CB 1.622 40.138 38.460 0.093 0.000 1.176 39 Y HN -0.716 7.740 8.280 0.318 0.015 0.522 40 G N -0.887 108.042 108.800 0.216 0.000 2.160 40 G HA2 -0.419 3.822 3.960 0.153 0.000 0.244 40 G HA3 -0.419 3.778 3.960 0.136 -0.156 0.244 40 G C -0.968 174.001 174.900 0.116 0.000 1.022 40 G CA 0.154 45.349 45.100 0.159 0.000 0.741 40 G HN -0.268 8.034 8.290 0.219 0.119 0.508 41 K N -0.180 120.277 120.400 0.096 0.000 2.138 41 K HA 0.710 5.068 4.320 -0.251 -0.189 0.263 41 K C -1.445 175.055 176.600 -0.167 0.000 0.965 41 K CA -1.113 55.113 56.287 -0.102 0.000 0.868 41 K CB 2.749 35.216 32.500 -0.054 0.000 1.083 41 K HN -0.563 7.785 8.250 0.163 0.000 0.443 42 L N 2.172 123.211 121.223 -0.306 0.000 2.408 42 L HA 0.669 4.967 4.340 -0.309 -0.144 0.268 42 L C -1.065 175.607 176.870 -0.329 0.000 0.986 42 L CA -1.127 53.547 54.840 -0.276 0.000 0.820 42 L CB 4.389 46.376 42.059 -0.119 0.000 1.303 42 L HN 0.332 8.286 8.230 -0.460 0.000 0.411 43 T N 0.681 115.043 114.554 -0.319 0.000 2.949 43 T HA 0.696 4.871 4.350 -0.580 -0.173 0.300 43 T C -1.346 173.122 174.700 -0.385 0.000 0.988 43 T CA -1.217 60.628 62.100 -0.425 0.000 0.993 43 T CB 1.726 70.386 68.868 -0.346 0.000 0.984 43 T HN 0.487 8.542 8.240 -0.309 0.000 0.442 44 L N 4.933 125.908 121.223 -0.413 0.000 2.431 44 L HA 0.599 4.823 4.340 -0.462 -0.162 0.266 44 L C -2.515 174.020 176.870 -0.558 0.000 0.978 44 L CA -0.865 53.689 54.840 -0.476 0.000 0.822 44 L CB 4.603 46.372 42.059 -0.484 0.000 1.310 44 L HN 0.737 8.689 8.230 -0.463 0.000 0.409 45 K N 1.875 121.918 120.400 -0.595 0.000 2.292 45 K HA 0.716 5.006 4.320 -0.333 -0.170 0.257 45 K C -1.587 174.675 176.600 -0.564 0.000 0.940 45 K CA -1.693 54.330 56.287 -0.441 0.000 0.811 45 K CB 3.517 35.868 32.500 -0.248 0.000 1.120 45 K HN 0.395 8.311 8.250 -0.556 0.000 0.428 46 F N 4.997 124.888 119.950 -0.099 0.000 2.495 46 F HA 0.794 5.738 4.527 0.028 -0.400 0.327 46 F C -0.822 174.972 175.800 -0.011 0.000 1.103 46 F CA -1.733 56.243 58.000 -0.040 0.000 0.949 46 F CB 3.575 42.549 39.000 -0.044 0.000 1.142 46 F HN 0.387 8.648 8.300 -0.065 0.000 0.457 47 I N 0.339 121.107 120.570 0.330 0.000 2.569 47 I HA 0.512 5.044 4.170 0.350 -0.151 0.296 47 I C -1.441 174.952 176.117 0.460 0.000 1.028 47 I CA -2.735 58.769 61.300 0.339 0.000 1.082 47 I CB 3.994 42.107 38.000 0.188 0.000 1.264 47 I HN 0.761 9.172 8.210 0.334 0.000 0.429 48 C N 6.231 125.825 119.300 0.491 0.000 2.464 48 C HA 0.237 5.024 4.460 0.294 -0.151 0.370 48 C C 1.563 176.672 174.990 0.198 0.000 1.267 48 C CA -1.441 57.760 59.018 0.305 0.000 1.781 48 C CB 0.903 28.752 27.740 0.182 0.000 2.431 48 C HN 0.154 8.713 8.230 0.548 0.000 0.556 49 T N 7.865 122.517 114.554 0.162 0.000 3.129 49 T HA 0.116 4.531 4.350 0.108 0.000 0.251 49 T C 0.650 175.401 174.700 0.087 0.000 1.117 49 T CA 1.176 63.344 62.100 0.113 0.000 1.034 49 T CB -0.317 68.609 68.868 0.097 0.000 0.968 49 T HN 0.642 8.985 8.240 0.171 0.000 0.526 50 T N -2.373 112.236 114.554 0.092 0.000 3.176 50 T HA 0.214 4.600 4.350 0.059 0.000 0.263 50 T C 0.326 175.063 174.700 0.061 0.000 1.021 50 T CA -1.266 60.877 62.100 0.072 0.000 0.905 50 T CB 0.395 69.312 68.868 0.081 0.000 1.057 50 T HN -0.573 7.682 8.240 0.110 0.051 0.558 51 G N 2.663 111.502 108.800 0.065 0.000 2.848 51 G HA2 -0.423 3.571 3.960 0.057 0.000 0.246 51 G HA3 -0.423 3.561 3.960 0.040 0.000 0.246 51 G C -1.443 173.484 174.900 0.045 0.000 1.374 51 G CA -0.198 44.933 45.100 0.052 0.000 0.982 51 G HN -0.530 7.746 8.290 0.079 0.061 0.563 52 K N 3.992 124.398 120.400 0.011 0.000 2.258 52 K HA 0.033 4.346 4.320 -0.011 0.000 0.284 52 K C 0.526 177.060 176.600 -0.110 0.000 1.051 52 K CA -0.791 55.477 56.287 -0.032 0.000 0.923 52 K CB 0.460 32.936 32.500 -0.040 0.000 1.046 52 K HN -0.006 8.250 8.250 0.009 0.000 0.474 53 L N 6.853 127.944 121.223 -0.220 0.000 2.410 53 L HA 0.063 4.123 4.340 -0.468 0.000 0.273 53 L C -1.062 175.540 176.870 -0.446 0.000 1.144 53 L CA -1.571 52.982 54.840 -0.479 0.000 0.863 53 L CB 0.823 42.361 42.059 -0.868 0.000 1.140 53 L HN -0.037 8.391 8.230 -0.181 -0.307 0.463 54 P HA 0.158 4.393 4.420 -0.309 0.000 0.255 54 P C -1.670 175.367 177.300 -0.438 0.000 1.248 54 P CA 0.179 63.056 63.100 -0.372 0.000 0.807 54 P CB 0.416 31.963 31.700 -0.256 0.000 1.150 55 V N -7.443 112.126 119.914 -0.575 0.000 3.126 55 V HA 0.642 4.515 4.120 -0.411 0.000 0.314 55 V C -2.630 173.178 176.094 -0.477 0.000 1.138 55 V CA -4.624 57.377 62.300 -0.499 0.000 1.034 55 V CB 1.891 33.412 31.823 -0.503 0.000 1.075 55 V HN -0.820 6.878 8.190 -0.736 0.051 0.442 56 P HA 0.227 4.552 4.420 -0.158 0.000 0.276 56 P C 0.416 177.634 177.300 -0.138 0.000 1.230 56 P CA -0.447 62.542 63.100 -0.185 0.000 0.776 56 P CB 0.915 32.553 31.700 -0.103 0.000 0.888 57 W N 2.976 124.280 121.300 0.007 0.000 2.305 57 W HA -0.301 4.341 4.660 -0.030 0.000 0.308 57 W C 0.235 176.805 176.519 0.085 0.000 1.226 57 W CA 5.190 62.566 57.345 0.052 0.000 1.253 57 W CB -2.305 27.281 29.460 0.209 0.000 1.146 57 W HN 0.620 8.889 8.180 0.148 0.000 0.507 58 P HA -0.213 4.496 4.420 0.482 0.000 0.219 58 P C 1.220 178.762 177.300 0.403 0.000 1.146 58 P CA 2.613 65.961 63.100 0.413 0.000 0.808 58 P CB -0.319 31.607 31.700 0.377 0.000 0.779 59 T N -3.949 110.707 114.554 0.169 0.000 3.007 59 T HA -0.249 4.322 4.350 0.369 0.000 0.270 59 T C 0.656 175.630 174.700 0.456 0.000 1.107 59 T CA 2.910 65.179 62.100 0.282 0.000 1.118 59 T CB -0.192 68.720 68.868 0.073 0.000 0.889 59 T HN -0.342 7.920 8.240 0.066 0.017 0.506 60 L N -1.614 119.771 121.223 0.270 0.000 2.607 60 L HA 0.256 4.740 4.340 0.240 0.000 0.228 60 L C 0.696 177.617 176.870 0.085 0.000 1.123 60 L CA -0.140 54.803 54.840 0.172 0.000 0.890 60 L CB 0.108 42.176 42.059 0.014 0.000 1.103 60 L HN -0.507 7.701 8.230 0.212 0.149 0.468 61 V N 0.027 120.011 119.914 0.116 0.000 2.295 61 V HA -0.412 3.530 4.120 -0.296 0.000 0.246 61 V C 1.199 177.223 176.094 -0.116 0.000 1.049 61 V CA 4.034 66.251 62.300 -0.138 0.000 1.024 61 V CB 0.039 31.683 31.823 -0.299 0.000 0.648 61 V HN -0.794 7.547 8.190 0.251 0.000 0.447 62 T N -5.010 109.626 114.554 0.137 0.000 2.904 62 T HA -0.183 4.221 4.350 0.091 0.000 0.267 62 T C 1.591 176.395 174.700 0.173 0.000 1.059 62 T CA 2.319 64.533 62.100 0.190 0.000 1.137 62 T CB -0.256 68.860 68.868 0.413 0.000 0.879 62 T HN 0.146 8.557 8.240 0.284 0.000 0.467 63 T N 3.410 118.067 114.554 0.173 0.000 2.770 63 T HA -0.218 4.233 4.350 0.168 0.000 0.263 63 T C 0.568 175.302 174.700 0.056 0.000 1.039 63 T CA 2.925 65.106 62.100 0.135 0.000 1.142 63 T CB 0.088 69.036 68.868 0.133 0.000 0.868 63 T HN -0.663 7.696 8.240 0.199 0.000 0.435 69 Q N 1.815 121.562 119.800 -0.089 0.000 2.488 69 Q HA -0.025 4.158 4.340 -0.261 0.000 0.211 69 Q C 1.326 176.985 176.000 -0.568 0.000 0.967 69 Q CA 2.055 57.583 55.803 -0.459 0.000 0.926 69 Q CB -0.075 28.073 28.738 -0.984 0.000 0.992 69 Q HN 0.435 8.674 8.270 -0.052 0.000 0.506 70 C N -1.964 117.152 119.300 -0.306 0.000 2.430 70 C HA -0.173 4.119 4.460 -0.281 0.000 0.288 70 C C 0.290 174.867 174.990 -0.688 0.000 1.448 70 C CA 1.573 60.330 59.018 -0.435 0.000 1.784 70 C CB -1.201 26.263 27.740 -0.459 0.000 1.776 70 C HN -0.361 7.750 8.230 -0.115 0.050 0.547 71 F N -0.268 119.587 119.950 -0.158 0.000 2.732 71 F HA 0.014 4.518 4.527 -0.038 0.000 0.303 71 F C -0.434 175.351 175.800 -0.025 0.000 1.110 71 F CA 0.762 58.735 58.000 -0.045 0.000 1.355 71 F CB -0.391 38.635 39.000 0.044 0.000 1.081 71 F HN -0.385 7.865 8.300 -0.003 0.048 0.565 72 S N 0.911 116.648 115.700 0.062 0.000 2.568 72 S HA -0.185 4.423 4.470 0.051 -0.107 0.282 72 S C -0.655 174.011 174.600 0.110 0.000 1.338 72 S CA 0.859 59.098 58.200 0.064 0.000 1.045 72 S CB 0.429 63.651 63.200 0.036 0.000 0.873 72 S HN -0.634 7.607 8.310 -0.023 0.056 0.516 73 R N 4.660 125.190 120.500 0.050 0.000 2.248 73 R HA 0.176 4.690 4.340 0.087 -0.122 0.328 73 R C -1.355 174.924 176.300 -0.035 0.000 1.067 73 R CA -0.326 55.799 56.100 0.042 0.000 0.924 73 R CB 1.160 31.468 30.300 0.013 0.000 1.013 73 R HN -0.181 8.104 8.270 0.025 0.000 0.454 74 Y N 7.574 127.836 120.300 -0.064 0.000 2.335 74 Y HA 0.311 4.791 4.550 -0.116 0.000 0.339 74 Y C -2.024 173.800 175.900 -0.127 0.000 0.987 74 Y CA -2.025 56.013 58.100 -0.104 0.000 1.140 74 Y CB 1.183 39.583 38.460 -0.100 0.000 1.173 74 Y HN 0.390 8.831 8.280 0.268 0.000 0.486 75 P HA -0.029 4.364 4.420 -0.044 0.000 0.270 75 P C 0.178 177.419 177.300 -0.098 0.000 1.227 75 P CA -0.069 62.970 63.100 -0.101 0.000 0.788 75 P CB 1.171 32.773 31.700 -0.163 0.000 0.926 76 D N 0.395 120.786 120.400 -0.016 0.000 2.116 76 D HA -0.348 4.285 4.640 -0.012 0.000 0.193 76 D C 1.925 178.221 176.300 -0.007 0.000 0.998 76 D CA 3.609 57.611 54.000 0.002 0.000 0.836 76 D CB -0.401 40.424 40.800 0.041 0.000 0.951 76 D HN 0.461 8.843 8.370 0.020 0.000 0.449 77 H N -4.447 114.625 119.070 0.003 0.000 2.559 77 H HA -0.002 4.550 4.556 -0.008 0.000 0.273 77 H C 0.109 175.447 175.328 0.017 0.000 1.000 77 H CA 1.646 57.696 56.048 0.004 0.000 1.195 77 H CB -0.812 28.957 29.762 0.011 0.000 1.368 77 H HN 0.298 8.671 8.280 0.154 0.000 0.592 78 M N -2.833 116.554 119.600 -0.355 0.000 2.347 78 M HA 0.225 4.685 4.480 -0.034 0.000 0.302 78 M C -0.080 176.177 176.300 -0.072 0.000 1.051 78 M CA -0.102 55.106 55.300 -0.153 0.000 0.988 78 M CB 1.153 33.634 32.600 -0.197 0.000 1.475 78 M HN -0.347 7.536 8.290 -0.388 0.174 0.530 79 K N 0.979 121.309 120.400 -0.118 0.000 2.362 79 K HA -0.319 3.936 4.320 -0.109 0.000 0.200 79 K C 1.881 178.335 176.600 -0.245 0.000 1.046 79 K CA 3.426 59.632 56.287 -0.137 0.000 0.952 79 K CB -0.372 32.072 32.500 -0.093 0.000 0.753 79 K HN -0.703 7.477 8.250 -0.118 0.000 0.466 80 Q N -2.932 116.666 119.800 -0.337 0.000 2.488 80 Q HA -0.143 4.035 4.340 -0.270 0.000 0.211 80 Q C 0.327 176.054 176.000 -0.455 0.000 0.967 80 Q CA 1.910 57.474 55.803 -0.399 0.000 0.926 80 Q CB -1.208 27.273 28.738 -0.429 0.000 0.992 80 Q HN 0.431 8.454 8.270 -0.355 0.034 0.506 81 H N -2.170 116.800 119.070 -0.167 0.000 2.594 81 H HA 0.142 4.636 4.556 -0.103 0.000 0.279 81 H C -1.137 174.003 175.328 -0.313 0.000 1.042 81 H CA -0.436 55.505 56.048 -0.179 0.000 1.177 81 H CB 0.962 30.573 29.762 -0.251 0.000 1.524 81 H HN -0.371 7.525 8.280 -0.354 0.171 0.537 82 D N 0.911 121.004 120.400 -0.511 0.000 2.494 82 D HA 0.063 4.020 4.640 -1.138 0.000 0.217 82 D C -0.522 175.561 176.300 -0.362 0.000 1.153 82 D CA -2.084 51.407 54.000 -0.849 0.000 0.954 82 D CB -1.116 39.026 40.800 -1.096 0.000 1.034 82 D HN -0.848 7.253 8.370 -0.447 0.000 0.518 83 F N 6.309 126.008 119.950 -0.418 0.000 2.134 83 F HA -0.336 4.124 4.527 -0.280 -0.101 0.299 83 F C 0.358 175.943 175.800 -0.358 0.000 1.097 83 F CA 3.128 60.880 58.000 -0.413 0.000 1.264 83 F CB 0.451 39.112 39.000 -0.564 0.000 1.001 83 F HN -0.624 7.602 8.300 -0.123 0.000 0.479 84 F N -3.151 116.725 119.950 -0.123 0.000 2.102 84 F HA -0.466 3.921 4.527 -0.233 0.000 0.298 84 F C 2.182 177.887 175.800 -0.158 0.000 1.105 84 F CA 3.744 61.655 58.000 -0.148 0.000 1.239 84 F CB -0.819 38.157 39.000 -0.039 0.000 0.991 84 F HN -0.669 7.578 8.300 -0.235 -0.089 0.474 85 K N -2.551 117.795 120.400 -0.089 0.000 2.148 85 K HA -0.291 3.974 4.320 -0.093 0.000 0.204 85 K C 1.981 178.549 176.600 -0.053 0.000 1.050 85 K CA 3.039 59.244 56.287 -0.137 0.000 0.942 85 K CB -0.225 32.115 32.500 -0.268 0.000 0.724 85 K HN -0.678 7.745 8.250 -0.113 -0.240 0.446 86 S N -0.549 115.035 115.700 -0.193 0.000 2.423 86 S HA -0.151 4.251 4.470 -0.114 0.000 0.231 86 S C 1.216 175.703 174.600 -0.188 0.000 1.014 86 S CA 2.229 60.317 58.200 -0.188 0.000 0.965 86 S CB -0.625 62.434 63.200 -0.236 0.000 0.785 86 S HN -0.741 7.291 8.310 -0.269 0.117 0.495 87 A N 0.302 122.960 122.820 -0.270 0.000 2.206 87 A HA 0.039 4.253 4.320 -0.178 0.000 0.211 87 A C -0.662 176.938 177.584 0.026 0.000 1.158 87 A CA 0.801 52.738 52.037 -0.167 0.000 0.761 87 A CB 0.128 19.000 19.000 -0.213 0.000 0.801 87 A HN -0.692 7.220 8.150 -0.352 0.027 0.473 88 M N -1.958 117.702 119.600 0.101 0.000 2.288 88 M HA 0.330 4.934 4.480 0.207 0.000 0.334 88 M C -1.516 174.847 176.300 0.104 0.000 1.150 88 M CA -3.525 51.898 55.300 0.205 0.000 1.118 88 M CB -1.003 31.870 32.600 0.454 0.000 1.501 88 M HN -0.680 7.501 8.290 0.092 0.165 0.462 89 P HA 0.087 4.744 4.420 0.395 0.000 0.240 89 P C 0.925 178.318 177.300 0.156 0.000 1.190 89 P CA 1.052 64.261 63.100 0.181 0.000 0.781 89 P CB 0.408 32.112 31.700 0.008 0.000 0.931 90 E N -0.654 119.596 120.200 0.084 0.000 2.160 90 E HA -0.289 4.096 4.350 0.057 0.000 0.195 90 E C 0.815 177.449 176.600 0.057 0.000 0.991 90 E CA 2.108 58.545 56.400 0.061 0.000 0.810 90 E CB -0.069 29.658 29.700 0.044 0.000 0.742 90 E HN 0.081 8.480 8.360 0.065 0.000 0.466 91 G N -3.604 105.234 108.800 0.062 0.000 2.610 91 G HA2 -0.289 3.658 3.960 -0.045 0.000 0.304 91 G HA3 -0.289 3.723 3.960 -0.059 -0.087 0.304 91 G C -2.304 172.642 174.900 0.078 0.000 1.309 91 G CA -0.510 44.584 45.100 -0.010 0.000 0.906 91 G HN -0.473 7.862 8.290 0.082 0.004 0.521 92 Y N -5.357 115.010 120.300 0.111 0.000 2.615 92 Y HA 0.765 5.488 4.550 0.145 -0.086 0.341 92 Y C -2.239 173.755 175.900 0.158 0.000 1.089 92 Y CA -2.675 55.522 58.100 0.160 0.000 1.049 92 Y CB 2.944 41.565 38.460 0.269 0.000 1.296 92 Y HN -0.153 7.874 8.280 -0.422 0.000 0.470 93 I N -0.154 120.659 120.570 0.405 0.000 2.331 93 I HA 0.445 4.933 4.170 0.229 -0.180 0.292 93 I C -1.234 175.107 176.117 0.373 0.000 0.998 93 I CA -2.247 59.228 61.300 0.291 0.000 1.267 93 I CB 0.211 38.322 38.000 0.185 0.000 1.386 93 I HN 0.442 8.891 8.210 0.398 0.000 0.476 94 Q N 7.588 127.593 119.800 0.343 0.000 2.333 94 Q HA 0.555 5.242 4.340 0.292 -0.172 0.265 94 Q C -1.463 174.659 176.000 0.202 0.000 0.989 94 Q CA -1.676 54.313 55.803 0.311 0.000 0.842 94 Q CB 2.850 31.827 28.738 0.399 0.000 1.262 94 Q HN 0.365 8.808 8.270 0.288 0.000 0.451 95 E N 7.101 127.400 120.200 0.164 0.000 2.238 95 E HA 0.896 5.507 4.350 0.116 -0.192 0.267 95 E C -1.349 175.325 176.600 0.124 0.000 0.887 95 E CA -1.463 55.011 56.400 0.123 0.000 0.769 95 E CB 4.272 34.029 29.700 0.095 0.000 1.187 95 E HN 0.411 8.868 8.360 0.161 0.000 0.416 96 R N 1.374 121.935 120.500 0.102 0.000 2.740 96 R HA 0.993 5.615 4.340 0.105 -0.219 0.273 96 R C -0.951 175.366 176.300 0.028 0.000 0.998 96 R CA -1.434 54.718 56.100 0.087 0.000 0.900 96 R CB 4.838 35.200 30.300 0.103 0.000 1.223 96 R HN 0.304 8.627 8.270 0.089 0.000 0.466 97 T N 3.787 118.339 114.554 -0.004 0.000 2.829 97 T HA 0.779 5.221 4.350 -0.166 -0.192 0.280 97 T C -1.442 173.105 174.700 -0.254 0.000 0.999 97 T CA -0.647 61.356 62.100 -0.162 0.000 0.983 97 T CB 2.005 70.733 68.868 -0.233 0.000 0.968 97 T HN 0.305 8.581 8.240 0.060 0.000 0.446 98 I N 5.192 125.503 120.570 -0.432 0.000 2.410 98 I HA 0.460 4.471 4.170 -0.596 -0.198 0.286 98 I C -1.558 174.179 176.117 -0.634 0.000 1.009 98 I CA -1.247 59.692 61.300 -0.603 0.000 1.111 98 I CB 2.386 39.957 38.000 -0.714 0.000 1.262 98 I HN 0.748 8.731 8.210 -0.377 0.000 0.443 99 F N 6.284 126.059 119.950 -0.291 0.000 2.391 99 F HA 0.214 4.661 4.527 -0.133 0.000 0.359 99 F C -0.626 174.991 175.800 -0.305 0.000 1.122 99 F CA -1.127 56.755 58.000 -0.196 0.000 1.120 99 F CB 0.835 39.796 39.000 -0.065 0.000 1.142 99 F HN 0.327 8.599 8.300 -0.046 0.000 0.483 100 F N 3.560 123.527 119.950 0.029 0.000 2.420 100 F HA 0.206 4.917 4.527 0.074 -0.140 0.352 100 F C 0.303 176.131 175.800 0.048 0.000 1.108 100 F CA -0.682 57.342 58.000 0.041 0.000 1.162 100 F CB 0.784 39.807 39.000 0.039 0.000 1.118 100 F HN 0.389 8.810 8.300 0.203 0.000 0.510 101 E N 6.149 126.467 120.200 0.198 0.000 2.694 101 E HA -0.370 4.036 4.350 0.093 0.000 0.250 101 E C -0.205 176.462 176.600 0.112 0.000 0.963 101 E CA 2.021 58.496 56.400 0.126 0.000 0.949 101 E CB 0.444 30.209 29.700 0.110 0.000 0.911 101 E HN -0.138 8.336 8.360 0.190 0.000 0.500 102 D N 2.713 123.153 120.400 0.066 0.000 2.945 102 D HA -0.342 4.313 4.640 0.024 0.000 0.225 102 D C -1.504 174.818 176.300 0.036 0.000 1.158 102 D CA 1.599 55.624 54.000 0.041 0.000 0.805 102 D CB -0.959 39.865 40.800 0.041 0.000 1.098 102 D HN 0.440 8.842 8.370 0.053 0.000 0.426 103 D N -2.912 117.504 120.400 0.027 0.000 3.236 103 D HA 0.217 4.822 4.640 -0.058 0.000 0.325 103 D C -1.279 174.870 176.300 -0.252 0.000 1.352 103 D CA -1.139 52.828 54.000 -0.055 0.000 0.979 103 D CB 2.934 43.761 40.800 0.045 0.000 1.410 103 D HN -0.434 7.939 8.370 0.047 0.026 0.588 104 G N -2.619 105.675 108.800 -0.843 0.000 2.508 104 G HA2 0.076 3.604 3.960 -0.719 0.000 0.278 104 G HA3 0.076 2.624 3.960 -2.509 -0.094 0.278 104 G C -2.110 172.265 174.900 -0.875 0.000 1.389 104 G CA -0.620 43.655 45.100 -1.376 0.000 1.050 104 G HN -0.098 7.578 8.290 -1.024 0.000 0.522 105 N N -3.622 114.754 118.700 -0.540 0.000 2.229 105 N HA 0.814 5.710 4.740 0.015 -0.147 0.298 105 N C -1.505 174.217 175.510 0.352 0.000 1.114 105 N CA -1.376 51.626 53.050 -0.079 0.000 0.776 105 N CB 3.727 41.987 38.487 -0.378 0.000 1.501 105 N HN -0.223 7.841 8.380 -0.527 0.000 0.474 106 Y N -1.450 118.981 120.300 0.218 0.000 2.387 106 Y HA 0.505 5.340 4.550 0.216 -0.156 0.330 106 Y C 0.038 175.920 175.900 -0.030 0.000 1.133 106 Y CA -3.165 55.036 58.100 0.169 0.000 1.152 106 Y CB 2.088 40.684 38.460 0.227 0.000 1.215 106 Y HN 0.154 8.565 8.280 0.217 0.000 0.466 107 K N 1.647 122.133 120.400 0.143 0.000 2.397 107 K HA 0.757 5.281 4.320 0.015 -0.195 0.253 107 K C -1.207 175.418 176.600 0.042 0.000 0.932 107 K CA -1.484 54.828 56.287 0.042 0.000 0.795 107 K CB 3.747 36.251 32.500 0.008 0.000 1.159 107 K HN 0.749 9.091 8.250 0.154 0.000 0.424 108 S N 2.637 118.365 115.700 0.046 0.000 2.569 108 S HA 0.958 5.616 4.470 0.019 -0.178 0.280 108 S C -1.426 173.207 174.600 0.055 0.000 1.111 108 S CA -1.841 56.385 58.200 0.043 0.000 0.887 108 S CB 4.002 67.242 63.200 0.067 0.000 1.095 108 S HN 0.553 8.893 8.310 0.049 0.000 0.476 109 R N 1.246 121.774 120.500 0.047 0.000 2.514 109 R HA 0.533 5.064 4.340 0.081 -0.143 0.296 109 R C -2.558 173.780 176.300 0.063 0.000 1.012 109 R CA -0.535 55.602 56.100 0.062 0.000 0.897 109 R CB 3.753 34.081 30.300 0.046 0.000 1.184 109 R HN 0.209 8.498 8.270 0.031 0.000 0.440 110 A N 5.753 128.627 122.820 0.092 0.000 2.454 110 A HA 1.089 5.830 4.320 0.060 -0.386 0.302 110 A C -2.111 175.525 177.584 0.086 0.000 1.079 110 A CA -2.018 50.069 52.037 0.084 0.000 0.731 110 A CB 4.275 23.338 19.000 0.105 0.000 1.299 110 A HN 0.720 8.939 8.150 0.115 0.000 0.413 111 E N 0.995 121.220 120.200 0.043 0.000 2.171 111 E HA 0.715 5.244 4.350 0.023 -0.166 0.271 111 E C -1.233 175.326 176.600 -0.068 0.000 0.916 111 E CA -1.659 54.743 56.400 0.004 0.000 0.774 111 E CB 3.567 33.270 29.700 0.004 0.000 1.128 111 E HN -0.089 8.290 8.360 0.032 0.000 0.403 112 V N 4.795 124.578 119.914 -0.218 0.000 2.444 112 V HA 0.866 5.114 4.120 -0.202 -0.249 0.294 112 V C -1.689 174.184 176.094 -0.368 0.000 1.022 112 V CA -1.494 60.602 62.300 -0.340 0.000 0.850 112 V CB 1.119 32.576 31.823 -0.609 0.000 0.992 112 V HN 0.254 8.277 8.190 -0.278 0.000 0.426 113 K N 2.953 123.215 120.400 -0.230 0.000 2.658 113 K HA 0.617 4.856 4.320 -0.135 0.000 0.293 113 K C -1.886 174.616 176.600 -0.164 0.000 1.026 113 K CA -1.833 54.368 56.287 -0.144 0.000 0.871 113 K CB 3.696 36.168 32.500 -0.047 0.000 1.524 113 K HN 0.166 8.296 8.250 -0.201 0.000 0.400 114 F N 0.061 119.991 119.950 -0.034 0.000 2.438 114 F HA 0.310 5.006 4.527 -0.028 -0.185 0.356 114 F C 0.782 176.567 175.800 -0.026 0.000 1.099 114 F CA 0.683 58.661 58.000 -0.036 0.000 1.185 114 F CB 0.836 39.798 39.000 -0.063 0.000 1.115 114 F HN -0.308 8.148 8.300 0.261 0.000 0.526 115 E N 5.147 125.423 120.200 0.127 0.000 2.207 115 E HA 0.289 4.688 4.350 0.082 0.000 0.250 115 E C 0.119 176.775 176.600 0.094 0.000 0.890 115 E CA -0.996 55.454 56.400 0.084 0.000 0.749 115 E CB 1.083 30.805 29.700 0.036 0.000 1.193 115 E HN 0.260 8.671 8.360 0.086 0.000 0.423 116 G N 7.391 116.243 108.800 0.088 0.000 2.556 116 G HA2 -0.451 3.534 3.960 0.042 0.000 0.283 116 G HA3 -0.451 3.541 3.960 0.054 0.000 0.283 116 G C -0.654 174.312 174.900 0.110 0.000 1.177 116 G CA 1.299 46.439 45.100 0.067 0.000 0.978 116 G HN 0.498 8.835 8.290 0.078 0.000 0.554 117 D N 4.004 124.460 120.400 0.093 0.000 2.340 117 D HA -0.020 4.677 4.640 0.095 0.000 0.220 117 D C -0.539 175.889 176.300 0.213 0.000 1.039 117 D CA 0.570 54.640 54.000 0.116 0.000 0.866 117 D CB -0.021 40.810 40.800 0.052 0.000 0.913 117 D HN 0.342 8.752 8.370 0.066 0.000 0.523 118 T N 2.333 116.997 114.554 0.183 0.000 2.824 118 T HA 0.135 4.668 4.350 0.093 -0.127 0.280 118 T C -1.544 173.124 174.700 -0.053 0.000 0.995 118 T CA -0.113 62.039 62.100 0.087 0.000 1.009 118 T CB 2.236 71.123 68.868 0.032 0.000 0.955 118 T HN -0.812 7.453 8.240 0.161 0.071 0.452 119 L N 7.634 128.726 121.223 -0.217 0.000 2.313 119 L HA 0.147 4.126 4.340 -0.803 -0.120 0.282 119 L C -2.397 174.379 176.870 -0.158 0.000 1.092 119 L CA -0.341 54.228 54.840 -0.452 0.000 0.831 119 L CB 0.469 42.356 42.059 -0.287 0.000 1.159 119 L HN 0.257 8.432 8.230 -0.092 0.000 0.442 120 V N 6.982 126.802 119.914 -0.158 0.000 2.604 120 V HA 0.595 4.943 4.120 -0.034 -0.248 0.305 120 V C -1.868 174.195 176.094 -0.052 0.000 1.043 120 V CA -1.878 60.384 62.300 -0.064 0.000 0.888 120 V CB 3.226 35.024 31.823 -0.042 0.000 0.995 120 V HN 0.651 8.708 8.190 -0.221 0.000 0.429 121 N N 6.648 125.348 118.700 0.000 0.000 2.518 121 N HA 0.493 5.411 4.740 -0.007 -0.182 0.254 121 N C -1.645 173.888 175.510 0.038 0.000 0.979 121 N CA -1.187 51.875 53.050 0.021 0.000 0.930 121 N CB 2.604 41.132 38.487 0.067 0.000 1.152 121 N HN 0.179 8.571 8.380 0.019 0.000 0.505 122 R N 5.461 125.976 120.500 0.024 0.000 2.387 122 R HA 0.805 5.356 4.340 0.036 -0.189 0.314 122 R C -1.465 174.853 176.300 0.031 0.000 0.958 122 R CA -0.943 55.174 56.100 0.028 0.000 0.846 122 R CB 2.607 32.917 30.300 0.015 0.000 1.147 122 R HN 0.026 8.302 8.270 0.011 0.000 0.447 123 I N 2.883 123.469 120.570 0.028 0.000 2.647 123 I HA 0.581 5.116 4.170 0.030 -0.347 0.295 123 I C -1.558 174.552 176.117 -0.012 0.000 1.078 123 I CA -1.055 60.258 61.300 0.022 0.000 1.048 123 I CB 4.153 42.173 38.000 0.033 0.000 1.239 123 I HN 0.707 8.934 8.210 0.027 0.000 0.421 124 E N 3.852 124.040 120.200 -0.020 0.000 2.171 124 E HA 0.730 5.185 4.350 -0.087 -0.158 0.271 124 E C -1.891 174.670 176.600 -0.066 0.000 0.916 124 E CA -1.957 54.409 56.400 -0.058 0.000 0.774 124 E CB 3.077 32.750 29.700 -0.045 0.000 1.128 124 E HN 0.231 8.590 8.360 -0.003 0.000 0.403 125 L N 5.508 126.654 121.223 -0.129 0.000 2.408 125 L HA 0.796 5.270 4.340 -0.080 -0.182 0.268 125 L C -1.833 174.933 176.870 -0.173 0.000 0.986 125 L CA -1.153 53.604 54.840 -0.139 0.000 0.820 125 L CB 4.019 45.965 42.059 -0.187 0.000 1.303 125 L HN 0.598 8.721 8.230 -0.179 0.000 0.411 126 T N 7.211 121.709 114.554 -0.093 0.000 2.848 126 T HA 0.637 5.110 4.350 -0.091 -0.178 0.285 126 T C -1.451 173.284 174.700 0.059 0.000 0.995 126 T CA -0.946 61.125 62.100 -0.048 0.000 0.970 126 T CB 2.781 71.638 68.868 -0.017 0.000 0.976 126 T HN 0.595 8.805 8.240 -0.050 0.000 0.441 127 G N 3.359 112.236 108.800 0.127 0.000 2.495 127 G HA2 0.841 5.345 3.960 0.566 0.000 0.318 127 G HA3 0.841 5.108 3.960 0.511 0.000 0.318 127 G C -2.672 172.475 174.900 0.413 0.000 1.257 127 G CA -1.373 43.990 45.100 0.439 0.000 0.962 127 G HN 0.734 8.964 8.290 0.068 0.101 0.483 128 T N 1.533 116.358 114.554 0.451 0.000 2.843 128 T HA 0.385 4.915 4.350 0.300 0.000 0.302 128 T C -1.335 173.423 174.700 0.097 0.000 1.232 128 T CA -1.854 60.405 62.100 0.265 0.000 1.009 128 T CB 1.743 70.685 68.868 0.123 0.000 1.254 128 T HN -0.074 8.447 8.240 0.467 0.000 0.504 129 D N -2.063 118.376 120.400 0.064 0.000 3.076 129 D HA -0.335 4.307 4.640 0.003 0.000 0.218 129 D C -1.816 174.395 176.300 -0.149 0.000 1.156 129 D CA 1.546 55.516 54.000 -0.050 0.000 0.921 129 D CB -0.885 39.857 40.800 -0.097 0.000 1.113 129 D HN 0.385 8.820 8.370 0.109 0.000 0.418 130 F N -3.141 116.843 119.950 0.058 0.000 2.418 130 F HA 0.095 4.848 4.527 0.023 -0.212 0.341 130 F C 1.094 176.911 175.800 0.028 0.000 1.120 130 F CA 0.224 58.244 58.000 0.033 0.000 1.232 130 F CB 1.451 40.464 39.000 0.022 0.000 1.175 130 F HN -0.709 7.744 8.300 0.330 0.046 0.569 131 K N 2.237 122.752 120.400 0.190 0.000 2.276 131 K HA 0.081 4.456 4.320 0.092 0.000 0.283 131 K C 1.147 177.814 176.600 0.111 0.000 1.044 131 K CA -0.328 56.027 56.287 0.113 0.000 0.944 131 K CB 0.746 33.289 32.500 0.072 0.000 1.012 131 K HN 0.126 8.806 8.250 0.194 -0.313 0.472 132 E N 3.130 123.379 120.200 0.083 0.000 2.268 132 E HA -0.296 4.097 4.350 0.070 0.000 0.195 132 E C -0.431 176.182 176.600 0.021 0.000 0.995 132 E CA 2.622 59.059 56.400 0.061 0.000 0.836 132 E CB 0.042 29.781 29.700 0.065 0.000 0.763 132 E HN 0.591 8.996 8.360 0.075 0.000 0.491 133 D N -7.852 112.563 120.400 0.024 0.000 2.538 133 D HA 0.069 4.705 4.640 -0.007 0.000 0.231 133 D C -0.559 175.749 176.300 0.012 0.000 1.229 133 D CA -1.606 52.398 54.000 0.007 0.000 0.828 133 D CB -0.986 39.819 40.800 0.008 0.000 1.035 133 D HN -0.344 8.026 8.370 0.034 0.021 0.495 134 G N -0.891 107.925 108.800 0.026 0.000 2.570 134 G HA2 -0.039 3.939 3.960 0.031 0.000 0.276 134 G HA3 -0.039 4.126 3.960 0.056 -0.171 0.276 134 G C 0.223 175.123 174.900 0.001 0.000 1.346 134 G CA -1.006 44.113 45.100 0.032 0.000 1.034 134 G HN -0.672 7.522 8.290 0.040 0.119 0.512 135 N N -0.732 117.968 118.700 -0.000 0.000 2.459 135 N HA -0.198 4.526 4.740 -0.026 0.000 0.181 135 N C 1.774 177.220 175.510 -0.107 0.000 1.046 135 N CA 2.956 55.987 53.050 -0.033 0.000 0.904 135 N CB 0.218 38.702 38.487 -0.005 0.000 0.964 135 N HN 0.151 8.544 8.380 0.021 0.000 0.444 136 I N 0.045 120.525 120.570 -0.151 0.000 2.405 136 I HA -0.246 3.729 4.170 -0.326 0.000 0.236 136 I C 1.703 177.659 176.117 -0.269 0.000 1.071 136 I CA 3.511 64.629 61.300 -0.305 0.000 1.398 136 I CB 0.297 37.970 38.000 -0.544 0.000 1.162 136 I HN -0.675 7.447 8.210 -0.088 0.035 0.432 137 L N -3.418 117.679 121.223 -0.211 0.000 2.275 137 L HA -0.177 3.994 4.340 -0.280 0.000 0.215 137 L C 1.574 178.348 176.870 -0.160 0.000 1.119 137 L CA 1.699 56.417 54.840 -0.204 0.000 0.790 137 L CB -0.139 41.849 42.059 -0.120 0.000 0.919 137 L HN -0.016 8.126 8.230 -0.146 0.000 0.443 138 G N -5.428 103.309 108.800 -0.105 0.000 2.985 138 G HA2 0.022 3.935 3.960 -0.078 0.000 0.209 138 G HA3 0.022 4.046 3.960 -0.052 -0.095 0.209 138 G C -0.835 174.015 174.900 -0.083 0.000 1.165 138 G CA -0.567 44.486 45.100 -0.077 0.000 0.776 138 G HN -0.499 7.716 8.290 -0.088 0.022 0.541 139 N N -1.759 116.873 118.700 -0.113 0.000 2.641 139 N HA -0.419 4.306 4.740 -0.124 -0.059 0.267 139 N C -0.601 174.877 175.510 -0.052 0.000 1.087 139 N CA 1.089 54.077 53.050 -0.103 0.000 0.731 139 N CB -1.750 36.669 38.487 -0.115 0.000 0.886 139 N HN -0.423 7.697 8.380 -0.139 0.176 0.547 140 K N -5.049 115.327 120.400 -0.040 0.000 2.478 140 K HA 0.174 4.657 4.320 -0.000 -0.163 0.205 140 K C -1.230 175.380 176.600 0.017 0.000 1.033 140 K CA -0.702 55.581 56.287 -0.006 0.000 1.091 140 K CB 1.084 33.582 32.500 -0.003 0.000 0.844 140 K HN -0.202 8.015 8.250 -0.055 0.000 0.507 141 M N -0.667 118.943 119.600 0.016 0.000 2.277 141 M HA 0.019 4.536 4.480 0.062 0.000 0.350 141 M C -0.055 176.308 176.300 0.105 0.000 1.180 141 M CA 0.220 55.552 55.300 0.053 0.000 1.103 141 M CB 1.330 33.940 32.600 0.017 0.000 1.577 141 M HN -0.318 7.969 8.290 -0.006 0.000 0.459 142 E N 1.250 121.526 120.200 0.126 0.000 2.404 142 E HA -0.127 4.317 4.350 0.156 0.000 0.261 142 E C -0.341 176.400 176.600 0.235 0.000 1.074 142 E CA -0.176 56.320 56.400 0.160 0.000 0.917 142 E CB 1.092 30.872 29.700 0.132 0.000 0.965 142 E HN -0.236 8.194 8.360 0.117 0.000 0.433 143 Y N 5.056 125.427 120.300 0.118 0.000 2.632 143 Y HA -0.127 4.533 4.550 0.183 0.000 0.336 143 Y C -1.900 174.101 175.900 0.167 0.000 1.237 143 Y CA 0.301 58.491 58.100 0.149 0.000 1.595 143 Y CB -1.384 37.142 38.460 0.111 0.000 1.508 143 Y HN 0.302 8.784 8.280 0.336 0.000 0.480 144 N N 3.333 122.054 118.700 0.034 0.000 3.179 144 N HA 0.048 4.771 4.740 -0.029 0.000 0.250 144 N C -2.735 172.909 175.510 0.222 0.000 1.507 144 N CA -0.725 52.360 53.050 0.059 0.000 0.883 144 N CB 1.607 40.148 38.487 0.091 0.000 1.435 144 N HN -0.714 7.705 8.380 0.113 0.029 0.532 145 Y N -2.533 117.811 120.300 0.073 0.000 2.581 145 Y HA 0.131 4.802 4.550 0.202 0.000 0.337 145 Y C -1.805 174.158 175.900 0.106 0.000 1.108 145 Y CA -0.096 58.095 58.100 0.152 0.000 1.033 145 Y CB 3.233 41.814 38.460 0.200 0.000 1.318 145 Y HN 0.130 8.541 8.280 0.219 0.000 0.459 146 N N 2.128 120.851 118.700 0.039 0.000 2.592 146 N HA 0.275 4.993 4.740 -0.036 0.000 0.292 146 N C -1.170 174.239 175.510 -0.167 0.000 1.260 146 N CA -0.793 52.195 53.050 -0.103 0.000 0.910 146 N CB 2.639 40.965 38.487 -0.267 0.000 1.257 146 N HN 0.202 8.486 8.380 -0.158 0.000 0.569 147 A N -1.114 121.530 122.820 -0.294 0.000 2.331 147 A HA 0.343 4.794 4.320 -0.053 -0.162 0.283 147 A C -1.463 175.798 177.584 -0.537 0.000 1.142 147 A CA -0.050 51.848 52.037 -0.231 0.000 0.812 147 A CB 1.211 20.149 19.000 -0.104 0.000 1.074 147 A HN 0.296 8.294 8.150 -0.254 0.000 0.497 148 H N 2.140 121.249 119.070 0.064 0.000 2.961 148 H HA 0.337 4.919 4.556 0.043 0.000 0.371 148 H C -1.524 173.802 175.328 -0.003 0.000 1.190 148 H CA -0.485 55.584 56.048 0.035 0.000 1.138 148 H CB 4.788 34.572 29.762 0.036 0.000 1.816 148 H HN 0.397 8.724 8.280 0.079 0.000 0.551 149 N N 1.147 119.913 118.700 0.111 0.000 2.421 149 N HA 0.522 5.444 4.740 0.013 -0.174 0.285 149 N C -1.155 174.253 175.510 -0.171 0.000 1.027 149 N CA -0.322 52.674 53.050 -0.091 0.000 0.918 149 N CB 1.721 39.946 38.487 -0.437 0.000 1.152 149 N HN 0.261 8.746 8.380 0.176 0.000 0.485 150 V N 4.344 124.083 119.914 -0.292 0.000 2.334 150 V HA 0.110 4.077 4.120 -0.255 0.000 0.281 150 V C -1.550 174.402 176.094 -0.236 0.000 1.016 150 V CA -0.625 61.474 62.300 -0.334 0.000 0.832 150 V CB 1.120 32.620 31.823 -0.539 0.000 0.999 150 V HN 0.343 8.418 8.190 -0.192 0.000 0.439 151 Y N 7.788 128.124 120.300 0.059 0.000 2.341 151 Y HA 0.211 4.904 4.550 0.009 -0.137 0.340 151 Y C -0.565 175.320 175.900 -0.026 0.000 0.997 151 Y CA -0.530 57.579 58.100 0.015 0.000 1.149 151 Y CB 1.331 39.794 38.460 0.006 0.000 1.171 151 Y HN 0.149 8.682 8.280 0.422 0.000 0.494 152 I N 3.196 123.724 120.570 -0.071 0.000 2.474 152 I HA 0.586 4.883 4.170 -0.045 -0.154 0.294 152 I C -1.281 174.767 176.117 -0.116 0.000 1.005 152 I CA -1.384 59.828 61.300 -0.146 0.000 1.113 152 I CB 2.766 40.556 38.000 -0.351 0.000 1.289 152 I HN 0.611 8.711 8.210 -0.182 0.000 0.436 153 M N 3.340 122.903 119.600 -0.062 0.000 2.575 153 M HA 0.636 5.105 4.480 -0.018 0.000 0.284 153 M C -1.718 174.543 176.300 -0.065 0.000 1.253 153 M CA -1.117 54.163 55.300 -0.035 0.000 0.861 153 M CB 4.094 36.692 32.600 -0.004 0.000 1.733 153 M HN 0.602 8.857 8.290 -0.059 0.000 0.462 154 T N 2.524 117.055 114.554 -0.040 0.000 2.926 154 T HA -0.086 4.310 4.350 -0.108 -0.111 0.307 154 T C -0.547 174.117 174.700 -0.058 0.000 1.059 154 T CA 1.922 63.986 62.100 -0.060 0.000 1.122 154 T CB 0.655 69.515 68.868 -0.013 0.000 0.972 154 T HN 0.336 8.569 8.240 -0.012 0.000 0.545 155 D N 6.610 126.961 120.400 -0.083 0.000 2.438 155 D HA 0.281 4.900 4.640 -0.035 0.000 0.257 155 D C -0.524 175.754 176.300 -0.036 0.000 1.148 155 D CA -1.669 52.298 54.000 -0.055 0.000 0.902 155 D CB 0.792 41.550 40.800 -0.071 0.000 1.062 155 D HN 0.306 8.506 8.370 -0.117 0.100 0.518 156 K N 7.298 127.689 120.400 -0.015 0.000 2.057 156 K HA -0.344 3.976 4.320 0.000 0.000 0.207 156 K C 1.693 178.296 176.600 0.004 0.000 1.049 156 K CA 2.579 58.865 56.287 -0.001 0.000 0.931 156 K CB -0.196 32.307 32.500 0.006 0.000 0.714 156 K HN 0.491 8.734 8.250 -0.011 0.000 0.440 157 A N -0.946 121.875 122.820 0.002 0.000 1.978 157 A HA -0.114 4.212 4.320 0.010 0.000 0.220 157 A C 1.523 179.114 177.584 0.011 0.000 1.170 157 A CA 2.653 54.694 52.037 0.008 0.000 0.636 157 A CB -0.606 18.398 19.000 0.007 0.000 0.810 157 A HN 0.300 8.450 8.150 -0.000 0.000 0.448 158 K N -4.962 115.441 120.400 0.005 0.000 2.358 158 K HA 0.086 4.419 4.320 0.022 0.000 0.197 158 K C -0.545 176.070 176.600 0.024 0.000 1.025 158 K CA -1.204 55.091 56.287 0.012 0.000 1.104 158 K CB 0.119 32.619 32.500 0.001 0.000 0.855 158 K HN -0.580 7.647 8.250 -0.005 0.021 0.531 159 N N -0.415 118.298 118.700 0.023 0.000 2.721 159 N HA -0.339 4.427 4.740 0.044 0.000 0.249 159 N C -0.957 174.595 175.510 0.070 0.000 1.072 159 N CA 1.024 54.105 53.050 0.052 0.000 0.710 159 N CB -1.009 37.522 38.487 0.073 0.000 0.993 159 N HN -0.310 7.912 8.380 0.015 0.167 0.547 160 G N -5.412 103.355 108.800 -0.056 0.000 2.976 160 G HA2 0.698 4.444 3.960 -0.357 0.000 0.276 160 G HA3 0.698 4.665 3.960 -0.263 -0.165 0.276 160 G C -2.919 171.707 174.900 -0.457 0.000 1.207 160 G CA -0.315 44.606 45.100 -0.298 0.000 0.803 160 G HN -0.576 7.673 8.290 -0.068 0.000 0.572 161 I N -6.364 113.830 120.570 -0.626 0.000 2.828 161 I HA 0.922 5.087 4.170 -0.324 -0.190 0.302 161 I C -1.858 174.108 176.117 -0.252 0.000 1.101 161 I CA -2.219 58.805 61.300 -0.459 0.000 1.031 161 I CB 4.334 41.942 38.000 -0.654 0.000 1.231 161 I HN -0.068 7.726 8.210 -0.694 0.000 0.427 162 K N 1.524 121.844 120.400 -0.132 0.000 2.207 162 K HA 0.678 5.135 4.320 -0.021 -0.149 0.255 162 K C -1.386 175.218 176.600 0.005 0.000 0.941 162 K CA -2.217 54.050 56.287 -0.034 0.000 0.825 162 K CB 3.274 35.777 32.500 0.006 0.000 1.119 162 K HN 0.128 8.304 8.250 -0.122 0.000 0.430 163 V N 1.777 121.739 119.914 0.079 0.000 2.709 163 V HA 0.839 5.265 4.120 0.141 -0.222 0.308 163 V C -1.849 174.360 176.094 0.192 0.000 1.062 163 V CA -1.858 60.540 62.300 0.163 0.000 0.901 163 V CB 3.697 35.663 31.823 0.238 0.000 1.003 163 V HN 0.428 8.673 8.190 0.092 0.000 0.425 164 N N 4.237 123.086 118.700 0.249 0.000 2.287 164 N HA 0.931 5.818 4.740 -0.089 -0.200 0.289 164 N C -1.305 174.406 175.510 0.335 0.000 1.066 164 N CA -0.318 52.788 53.050 0.094 0.000 0.841 164 N CB 4.169 42.635 38.487 -0.036 0.000 1.599 164 N HN 0.044 8.609 8.380 0.308 0.000 0.476 165 F N -1.849 118.074 119.950 -0.044 0.000 2.842 165 F HA 0.354 4.914 4.527 0.055 0.000 0.319 165 F C -2.977 172.778 175.800 -0.076 0.000 1.159 165 F CA -0.773 57.224 58.000 -0.004 0.000 0.902 165 F CB 2.012 41.021 39.000 0.016 0.000 1.311 165 F HN -0.027 8.044 8.300 -0.382 0.000 0.453 166 K N -0.585 119.875 120.400 0.100 0.000 2.376 166 K HA 0.535 4.969 4.320 -0.094 -0.170 0.257 166 K C -1.202 175.374 176.600 -0.040 0.000 0.939 166 K CA -1.859 54.417 56.287 -0.018 0.000 0.809 166 K CB 2.200 34.707 32.500 0.012 0.000 1.121 166 K HN 0.178 8.570 8.250 0.236 0.000 0.425 167 I N 3.741 124.177 120.570 -0.223 0.000 2.385 167 I HA 0.057 3.622 4.170 -1.009 0.000 0.294 167 I C -0.510 175.423 176.117 -0.307 0.000 0.988 167 I CA -2.427 58.540 61.300 -0.555 0.000 1.265 167 I CB 1.118 38.755 38.000 -0.606 0.000 1.388 167 I HN 0.244 8.353 8.210 -0.168 0.000 0.480 168 R N 5.668 126.117 120.500 -0.084 0.000 2.215 168 R HA 0.234 4.553 4.340 -0.034 0.000 0.336 168 R C -0.875 175.338 176.300 -0.145 0.000 0.996 168 R CA -1.287 54.794 56.100 -0.031 0.000 0.847 168 R CB 0.752 31.103 30.300 0.084 0.000 1.127 168 R HN -0.070 8.386 8.270 0.310 0.000 0.465 169 H N 5.619 124.721 119.070 0.054 0.000 2.519 169 H HA 0.183 4.736 4.556 -0.004 0.000 0.316 169 H C -0.883 174.482 175.328 0.061 0.000 1.065 169 H CA -0.954 55.123 56.048 0.049 0.000 1.264 169 H CB 1.917 31.751 29.762 0.121 0.000 1.413 169 H HN 0.646 8.963 8.280 0.062 0.000 0.465 170 N N 5.594 124.394 118.700 0.167 0.000 2.475 170 N HA 0.037 4.840 4.740 0.105 0.000 0.267 170 N C -1.077 174.506 175.510 0.123 0.000 1.169 170 N CA 0.445 53.566 53.050 0.119 0.000 0.947 170 N CB 0.314 38.855 38.487 0.090 0.000 1.061 170 N HN 0.558 9.028 8.380 0.151 0.000 0.466 171 I N 2.209 122.838 120.570 0.100 0.000 2.577 171 I HA 0.275 4.595 4.170 0.083 -0.101 0.305 171 I C 1.388 177.544 176.117 0.065 0.000 0.986 171 I CA -3.242 58.107 61.300 0.081 0.000 1.189 171 I CB 0.723 38.768 38.000 0.075 0.000 1.355 171 I HN 0.512 8.777 8.210 0.092 0.000 0.476 172 E N 4.182 124.415 120.200 0.055 0.000 2.478 172 E HA -0.224 4.158 4.350 0.053 0.000 0.198 172 E C -0.383 176.241 176.600 0.039 0.000 1.046 172 E CA 2.430 58.859 56.400 0.048 0.000 0.870 172 E CB 0.117 29.841 29.700 0.041 0.000 0.818 172 E HN 0.164 8.555 8.360 0.051 0.000 0.527 173 D N -4.327 116.096 120.400 0.038 0.000 2.340 173 D HA -0.023 4.634 4.640 0.028 0.000 0.217 173 D C 0.842 177.162 176.300 0.033 0.000 1.081 173 D CA -0.749 53.270 54.000 0.031 0.000 0.842 173 D CB -1.046 39.771 40.800 0.028 0.000 0.934 173 D HN -0.502 7.846 8.370 0.041 0.046 0.511 174 G N 0.187 109.010 108.800 0.039 0.000 2.195 174 G HA2 -0.400 3.584 3.960 0.041 0.000 0.246 174 G HA3 -0.400 3.580 3.960 0.033 0.000 0.246 174 G C -0.430 174.495 174.900 0.042 0.000 0.984 174 G CA 0.182 45.305 45.100 0.038 0.000 0.633 174 G HN -0.140 8.118 8.290 0.044 0.058 0.525 175 S N 1.005 116.732 115.700 0.046 0.000 2.645 175 S HA 0.124 4.622 4.470 0.046 0.000 0.266 175 S C -1.204 173.437 174.600 0.068 0.000 1.258 175 S CA -0.951 57.280 58.200 0.051 0.000 0.990 175 S CB 2.001 65.230 63.200 0.049 0.000 0.967 175 S HN -0.379 8.206 8.310 0.045 -0.249 0.556 176 V N 0.388 120.346 119.914 0.074 0.000 2.540 176 V HA 0.435 4.796 4.120 0.103 -0.179 0.302 176 V C -0.923 175.235 176.094 0.107 0.000 1.035 176 V CA -1.109 61.246 62.300 0.092 0.000 0.873 176 V CB 2.573 34.443 31.823 0.079 0.000 0.992 176 V HN -0.050 8.180 8.190 0.067 0.000 0.428 177 Q N 7.184 127.073 119.800 0.148 0.000 2.322 177 Q HA 0.371 4.937 4.340 0.142 -0.141 0.265 177 Q C -1.113 174.999 176.000 0.186 0.000 0.985 177 Q CA -1.781 54.128 55.803 0.178 0.000 0.849 177 Q CB 3.703 32.577 28.738 0.228 0.000 1.274 177 Q HN 0.381 8.755 8.270 0.174 0.000 0.449 178 L N 6.493 127.794 121.223 0.131 0.000 2.371 178 L HA 0.672 5.250 4.340 0.036 -0.217 0.272 178 L C -1.413 175.491 176.870 0.057 0.000 1.124 178 L CA -0.916 53.967 54.840 0.071 0.000 0.816 178 L CB 1.304 43.392 42.059 0.048 0.000 1.129 178 L HN 0.174 8.775 8.230 0.119 -0.299 0.448 179 A N 1.885 124.678 122.820 -0.045 0.000 2.293 179 A HA 0.542 4.843 4.320 -0.343 -0.187 0.312 179 A C -1.971 175.538 177.584 -0.125 0.000 1.309 179 A CA -2.118 49.779 52.037 -0.234 0.000 0.839 179 A CB 2.378 21.191 19.000 -0.311 0.000 1.155 179 A HN 0.649 8.754 8.150 -0.074 0.000 0.501 180 D N 6.763 127.085 120.400 -0.130 0.000 2.336 180 D HA 0.160 4.724 4.640 -0.128 0.000 0.249 180 D C -1.141 175.037 176.300 -0.204 0.000 1.213 180 D CA -0.602 53.344 54.000 -0.090 0.000 0.870 180 D CB 0.881 41.727 40.800 0.076 0.000 1.076 180 D HN 0.041 8.341 8.370 -0.118 0.000 0.483 181 H N 7.831 126.540 119.070 -0.602 0.000 2.519 181 H HA 0.371 4.821 4.556 -0.396 -0.133 0.316 181 H C -0.593 174.312 175.328 -0.705 0.000 1.065 181 H CA -0.475 55.168 56.048 -0.674 0.000 1.264 181 H CB 1.272 30.243 29.762 -1.317 0.000 1.413 181 H HN 0.351 8.410 8.280 -0.369 0.000 0.465 182 Y N 3.771 124.021 120.300 -0.083 0.000 2.328 182 Y HA 0.326 4.883 4.550 0.011 0.000 0.333 182 Y C -1.761 174.151 175.900 0.021 0.000 0.958 182 Y CA -1.023 57.077 58.100 0.001 0.000 1.167 182 Y CB 1.622 40.116 38.460 0.056 0.000 1.151 182 Y HN 0.639 8.973 8.280 0.090 0.000 0.470 183 Q N 3.444 123.339 119.800 0.159 0.000 2.397 183 Q HA 0.956 5.587 4.340 0.158 -0.196 0.275 183 Q C -1.980 174.096 176.000 0.126 0.000 1.090 183 Q CA -2.213 53.687 55.803 0.163 0.000 0.809 183 Q CB 4.865 33.742 28.738 0.231 0.000 1.362 183 Q HN 0.545 8.901 8.270 0.143 0.000 0.431 184 Q N 2.383 122.247 119.800 0.105 0.000 2.345 184 Q HA 0.716 5.219 4.340 0.008 -0.158 0.275 184 Q C -2.049 173.978 176.000 0.044 0.000 1.063 184 Q CA -1.824 54.006 55.803 0.045 0.000 0.819 184 Q CB 4.399 33.163 28.738 0.043 0.000 1.356 184 Q HN 0.667 9.010 8.270 0.122 0.000 0.418 185 N N 3.665 122.326 118.700 -0.065 0.000 2.296 185 N HA 1.109 6.184 4.740 0.106 -0.272 0.294 185 N C -0.795 174.669 175.510 -0.076 0.000 1.033 185 N CA -0.682 52.340 53.050 -0.047 0.000 0.839 185 N CB 4.051 42.413 38.487 -0.208 0.000 1.395 185 N HN 0.203 8.489 8.380 -0.157 0.000 0.479 186 T N -1.757 112.891 114.554 0.157 0.000 2.893 186 T HA 0.610 5.059 4.350 0.165 0.000 0.293 186 T C -2.515 172.401 174.700 0.360 0.000 1.027 186 T CA -3.703 58.520 62.100 0.205 0.000 0.988 186 T CB 1.648 70.591 68.868 0.125 0.000 1.043 186 T HN 0.282 8.662 8.240 0.233 0.000 0.461 187 P HA 0.168 4.778 4.420 0.316 0.000 0.278 187 P C -1.122 176.283 177.300 0.176 0.000 1.238 187 P CA -0.429 62.834 63.100 0.270 0.000 0.794 187 P CB 0.941 32.742 31.700 0.168 0.000 0.955 188 I N 1.261 121.918 120.570 0.145 0.000 2.333 188 I HA -0.236 3.993 4.170 0.099 0.000 0.246 188 I C 0.884 177.043 176.117 0.071 0.000 1.106 188 I CA 1.362 62.721 61.300 0.098 0.000 1.411 188 I CB 0.602 38.650 38.000 0.080 0.000 1.082 188 I HN -0.027 8.274 8.210 0.152 0.000 0.420 189 G N -1.168 107.668 108.800 0.061 0.000 2.616 189 G HA2 -0.138 3.844 3.960 0.038 0.000 0.268 189 G HA3 -0.138 3.842 3.960 0.033 0.000 0.268 189 G C -1.013 173.911 174.900 0.040 0.000 1.213 189 G CA -0.014 45.111 45.100 0.041 0.000 0.926 189 G HN -0.329 7.999 8.290 0.064 0.000 0.523 190 D N -0.387 120.030 120.400 0.029 0.000 2.462 190 D HA 0.052 4.713 4.640 0.035 0.000 0.221 190 D C 0.797 177.108 176.300 0.018 0.000 1.173 190 D CA -0.019 53.998 54.000 0.028 0.000 0.831 190 D CB 0.529 41.344 40.800 0.026 0.000 1.001 190 D HN 0.167 8.552 8.370 0.025 0.000 0.499 191 G N 0.692 109.498 108.800 0.011 0.000 2.594 191 G HA2 0.013 3.973 3.960 0.001 0.000 0.243 191 G HA3 0.013 3.970 3.960 -0.004 0.000 0.243 191 G C -1.651 173.247 174.900 -0.003 0.000 1.229 191 G CA -1.097 44.004 45.100 0.001 0.000 0.843 191 G HN -0.538 7.711 8.290 0.012 0.048 0.578 192 P HA 0.036 4.456 4.420 -0.000 0.000 0.266 192 P C -0.879 176.402 177.300 -0.032 0.000 1.195 192 P CA 0.080 63.173 63.100 -0.012 0.000 0.768 192 P CB 0.335 32.025 31.700 -0.016 0.000 0.838 193 V N -4.819 115.083 119.914 -0.022 0.000 3.046 193 V HA 0.351 4.402 4.120 -0.116 0.000 0.316 193 V C -0.994 175.091 176.094 -0.016 0.000 1.104 193 V CA -3.374 58.890 62.300 -0.061 0.000 1.006 193 V CB 3.019 34.804 31.823 -0.062 0.000 1.058 193 V HN -0.308 7.884 8.190 0.005 0.000 0.440 194 L N 0.897 122.098 121.223 -0.036 0.000 2.260 194 L HA 0.220 4.561 4.340 0.003 0.000 0.289 194 L C -0.818 176.123 176.870 0.118 0.000 1.057 194 L CA -0.929 53.915 54.840 0.006 0.000 0.811 194 L CB 0.243 42.262 42.059 -0.067 0.000 1.184 194 L HN -0.244 7.922 8.230 -0.107 0.000 0.429 195 L N 5.199 126.484 121.223 0.102 0.000 2.261 195 L HA 0.284 4.691 4.340 0.111 0.000 0.289 195 L C -1.715 175.224 176.870 0.116 0.000 1.059 195 L CA -2.402 52.498 54.840 0.100 0.000 0.816 195 L CB -0.519 41.579 42.059 0.066 0.000 1.191 195 L HN 0.227 8.501 8.230 0.072 0.000 0.431 196 P HA 0.157 4.805 4.420 0.381 0.000 0.281 196 P C -0.815 176.583 177.300 0.164 0.000 1.249 196 P CA -1.492 61.757 63.100 0.249 0.000 0.810 196 P CB 1.208 33.093 31.700 0.309 0.000 1.008 197 D N 1.900 122.342 120.400 0.070 0.000 2.419 197 D HA -0.260 4.381 4.640 0.002 0.000 0.236 197 D C -0.539 175.777 176.300 0.026 0.000 1.165 197 D CA 0.886 54.831 54.000 -0.091 0.000 0.882 197 D CB 0.560 41.142 40.800 -0.363 0.000 1.201 197 D HN -0.253 8.232 8.370 0.192 0.000 0.443 198 N N 1.437 120.159 118.700 0.037 0.000 2.440 198 N HA -0.176 4.826 4.740 0.044 -0.235 0.265 198 N C -0.437 175.143 175.510 0.116 0.000 1.239 198 N CA 0.975 54.062 53.050 0.063 0.000 0.909 198 N CB 0.464 38.980 38.487 0.047 0.000 1.066 198 N HN 0.049 8.441 8.380 0.019 0.000 0.474 199 H N 3.599 122.677 119.070 0.014 0.000 2.950 199 H HA 0.264 4.850 4.556 0.049 0.000 0.272 199 H C -2.973 172.388 175.328 0.054 0.000 1.495 199 H CA -0.917 55.137 56.048 0.010 0.000 1.183 199 H CB 1.611 31.317 29.762 -0.093 0.000 1.867 199 H HN 0.076 8.253 8.280 -0.173 0.000 0.597 200 Y N -5.092 115.087 120.300 -0.201 0.000 2.615 200 Y HA 0.860 5.266 4.550 -0.509 -0.161 0.341 200 Y C -2.917 172.835 175.900 -0.247 0.000 1.089 200 Y CA -2.471 55.370 58.100 -0.430 0.000 1.049 200 Y CB 3.243 41.208 38.460 -0.825 0.000 1.296 200 Y HN -0.030 8.225 8.280 -0.042 0.000 0.470 201 L N -0.291 120.780 121.223 -0.254 0.000 2.287 201 L HA 0.292 4.508 4.340 -0.401 -0.116 0.287 201 L C -0.416 176.383 176.870 -0.118 0.000 1.022 201 L CA -1.210 53.465 54.840 -0.275 0.000 0.814 201 L CB 1.685 43.638 42.059 -0.175 0.000 1.217 201 L HN 0.328 8.350 8.230 -0.175 0.103 0.420 202 S N 5.185 120.778 115.700 -0.178 0.000 2.430 202 S HA 0.104 4.704 4.470 0.216 0.000 0.282 202 S C -0.489 174.129 174.600 0.029 0.000 1.186 202 S CA -0.099 58.138 58.200 0.061 0.000 1.060 202 S CB 0.199 63.431 63.200 0.052 0.000 0.966 202 S HN 0.541 8.634 8.310 -0.362 0.000 0.501 203 T N 11.017 125.608 114.554 0.062 0.000 2.807 203 T HA 0.504 5.043 4.350 0.089 -0.136 0.279 203 T C -1.525 173.267 174.700 0.154 0.000 0.993 203 T CA -0.399 61.756 62.100 0.091 0.000 0.970 203 T CB 1.871 70.768 68.868 0.049 0.000 0.950 203 T HN 0.677 8.963 8.240 0.077 0.000 0.441 204 Q N 6.366 126.287 119.800 0.203 0.000 2.394 204 Q HA 0.434 4.884 4.340 0.183 0.000 0.273 204 Q C -2.149 174.045 176.000 0.323 0.000 1.089 204 Q CA -0.964 54.970 55.803 0.217 0.000 0.812 204 Q CB 4.844 33.660 28.738 0.131 0.000 1.353 204 Q HN 0.429 8.835 8.270 0.227 0.000 0.438 205 S N 0.799 116.672 115.700 0.289 0.000 2.579 205 S HA 0.993 5.744 4.470 0.125 -0.206 0.272 205 S C -1.661 173.045 174.600 0.177 0.000 1.141 205 S CA -1.038 57.287 58.200 0.208 0.000 0.843 205 S CB 3.701 67.048 63.200 0.246 0.000 1.122 205 S HN 0.229 8.691 8.310 0.253 0.000 0.468 206 A N 1.029 123.896 122.820 0.078 0.000 2.488 206 A HA 0.498 4.885 4.320 0.112 0.000 0.298 206 A C -2.557 175.082 177.584 0.091 0.000 1.044 206 A CA -0.666 51.431 52.037 0.101 0.000 0.693 206 A CB 3.089 22.135 19.000 0.077 0.000 1.272 206 A HN 0.384 8.498 8.150 -0.061 0.000 0.402 207 L N 1.451 122.693 121.223 0.031 0.000 2.313 207 L HA 0.933 5.479 4.340 0.049 -0.176 0.283 207 L C -0.368 176.532 176.870 0.051 0.000 1.013 207 L CA -1.168 53.626 54.840 -0.077 0.000 0.816 207 L CB 1.336 43.045 42.059 -0.583 0.000 1.236 207 L HN 0.309 8.542 8.230 0.005 0.000 0.419 208 S N 2.218 118.078 115.700 0.266 0.000 2.740 208 S HA 0.271 4.951 4.470 0.350 0.000 0.300 208 S C -1.907 172.892 174.600 0.332 0.000 1.147 208 S CA -1.601 56.806 58.200 0.345 0.000 0.871 208 S CB 1.845 65.248 63.200 0.339 0.000 1.173 208 S HN 0.779 9.249 8.310 0.266 0.000 0.510 209 K N 0.246 120.789 120.400 0.238 0.000 2.435 209 K HA 0.277 4.714 4.320 0.196 0.000 0.251 209 K C -1.513 175.244 176.600 0.261 0.000 0.954 209 K CA -1.970 54.438 56.287 0.201 0.000 0.820 209 K CB 2.347 34.870 32.500 0.039 0.000 1.292 209 K HN -0.011 8.373 8.250 0.223 0.000 0.436 210 D N 2.951 123.582 120.400 0.385 0.000 2.396 210 D HA 0.458 5.161 4.640 0.106 0.000 0.225 210 D C -0.327 176.038 176.300 0.108 0.000 1.121 210 D CA -3.266 50.812 54.000 0.130 0.000 0.853 210 D CB 1.214 41.989 40.800 -0.041 0.000 1.043 210 D HN -0.043 8.794 8.370 0.777 0.000 0.500 211 P HA -0.095 4.370 4.420 0.076 0.000 0.220 211 P C -0.293 177.028 177.300 0.035 0.000 1.144 211 P CA 1.298 64.434 63.100 0.061 0.000 0.800 211 P CB 0.297 32.022 31.700 0.042 0.000 0.772 212 N N -4.202 114.501 118.700 0.006 0.000 2.280 212 N HA 0.058 4.796 4.740 -0.004 0.000 0.192 212 N C -1.013 174.467 175.510 -0.051 0.000 1.109 212 N CA -0.111 52.930 53.050 -0.016 0.000 0.855 212 N CB 0.577 39.052 38.487 -0.019 0.000 0.974 212 N HN -0.439 8.153 8.380 0.001 -0.212 0.482 213 E N 1.218 121.356 120.200 -0.103 0.000 2.229 213 E HA 0.011 4.258 4.350 -0.172 0.000 0.283 213 E C -0.286 176.267 176.600 -0.078 0.000 1.030 213 E CA -0.679 55.591 56.400 -0.217 0.000 0.836 213 E CB 0.980 30.274 29.700 -0.675 0.000 1.068 213 E HN -0.512 7.631 8.360 -0.090 0.163 0.401 214 K N 3.582 123.959 120.400 -0.037 0.000 2.348 214 K HA 0.054 4.402 4.320 0.046 0.000 0.194 214 K C 0.646 177.288 176.600 0.069 0.000 1.052 214 K CA -0.281 56.023 56.287 0.028 0.000 1.004 214 K CB -0.124 32.384 32.500 0.013 0.000 0.873 214 K HN 0.150 8.365 8.250 -0.059 0.000 0.523 215 R N 1.028 121.566 120.500 0.062 0.000 2.641 215 R HA -0.044 4.363 4.340 0.111 0.000 0.269 215 R C -0.335 176.118 176.300 0.255 0.000 1.074 215 R CA 0.288 56.461 56.100 0.122 0.000 1.133 215 R CB 0.410 30.767 30.300 0.095 0.000 1.029 215 R HN -0.585 7.968 8.270 0.010 -0.277 0.488 216 D N 0.554 121.110 120.400 0.260 0.000 2.417 216 D HA -0.087 4.734 4.640 0.301 0.000 0.250 216 D C -0.903 175.696 176.300 0.499 0.000 1.166 216 D CA 0.782 54.994 54.000 0.353 0.000 0.881 216 D CB 0.686 41.666 40.800 0.300 0.000 1.164 216 D HN 0.237 8.733 8.370 0.210 0.000 0.467 217 H N -0.081 119.075 119.070 0.144 0.000 2.981 217 H HA 0.535 5.079 4.556 -0.235 -0.129 0.327 217 H C -3.176 171.653 175.328 -0.831 0.000 1.342 217 H CA -1.634 54.260 56.048 -0.258 0.000 1.123 217 H CB 2.681 32.374 29.762 -0.114 0.000 1.851 217 H HN -0.257 8.020 8.280 -0.005 0.000 0.531 218 M N 0.166 119.253 119.600 -0.855 0.000 2.271 218 M HA 0.501 4.700 4.480 -0.468 0.000 0.285 218 M C -2.393 173.864 176.300 -0.072 0.000 1.059 218 M CA -0.991 53.960 55.300 -0.582 0.000 0.940 218 M CB 3.663 35.776 32.600 -0.812 0.000 1.636 218 M HN 0.103 8.065 8.290 -0.547 0.000 0.460 219 I N 6.266 126.867 120.570 0.052 0.000 2.315 219 I HA 0.422 4.684 4.170 -0.083 -0.142 0.291 219 I C -1.667 174.461 176.117 0.018 0.000 1.006 219 I CA -2.458 58.842 61.300 0.001 0.000 1.265 219 I CB -0.468 37.563 38.000 0.051 0.000 1.387 219 I HN 0.454 8.720 8.210 0.093 0.000 0.475 220 Y N 9.557 129.724 120.300 -0.223 0.000 2.335 220 Y HA 0.406 5.083 4.550 -0.013 -0.135 0.338 220 Y C -2.458 173.197 175.900 -0.409 0.000 0.977 220 Y CA -2.410 55.610 58.100 -0.133 0.000 1.114 220 Y CB 3.536 42.046 38.460 0.084 0.000 1.182 220 Y HN 0.830 9.039 8.280 -0.119 0.000 0.463 221 F N 6.880 126.339 119.950 -0.818 0.000 2.467 221 F HA 0.636 4.960 4.527 -0.626 -0.173 0.336 221 F C -0.715 174.403 175.800 -1.136 0.000 1.123 221 F CA -2.022 55.533 58.000 -0.742 0.000 0.964 221 F CB 2.774 41.626 39.000 -0.246 0.000 1.136 221 F HN 0.219 8.218 8.300 -0.503 0.000 0.447 222 G N 0.940 109.210 108.800 -0.884 0.000 2.482 222 G HA2 0.794 4.721 3.960 -0.308 0.000 0.317 222 G HA3 0.794 4.668 3.960 -0.143 0.000 0.317 222 G C -2.554 171.892 174.900 -0.757 0.000 1.241 222 G CA -1.383 43.415 45.100 -0.505 0.000 0.967 222 G HN 0.400 8.236 8.290 -0.756 0.000 0.482 223 F N 0.223 120.194 119.950 0.035 0.000 2.671 223 F HA 0.581 5.323 4.527 0.055 -0.182 0.332 223 F C -1.412 174.411 175.800 0.038 0.000 1.189 223 F CA -1.048 56.977 58.000 0.041 0.000 0.988 223 F CB 3.498 42.511 39.000 0.022 0.000 1.258 223 F HN 0.131 8.553 8.300 0.204 0.000 0.471 224 V N 3.901 123.902 119.914 0.144 0.000 2.623 224 V HA 0.887 5.280 4.120 0.055 -0.240 0.304 224 V C -0.989 175.106 176.094 0.002 0.000 1.054 224 V CA -1.243 61.091 62.300 0.057 0.000 0.882 224 V CB 3.603 35.438 31.823 0.020 0.000 1.002 224 V HN 0.610 8.879 8.190 0.132 0.000 0.424 225 T N 8.650 123.161 114.554 -0.071 0.000 2.921 225 T HA 0.543 4.972 4.350 -0.157 -0.173 0.297 225 T C -1.580 172.927 174.700 -0.322 0.000 1.013 225 T CA -1.071 60.935 62.100 -0.156 0.000 0.990 225 T CB 3.209 72.023 68.868 -0.091 0.000 1.023 225 T HN 0.160 8.356 8.240 -0.073 0.000 0.447 226 A N 6.098 128.616 122.820 -0.503 0.000 2.386 226 A HA 0.514 4.639 4.320 -0.598 -0.164 0.248 226 A C -1.490 175.780 177.584 -0.522 0.000 1.082 226 A CA -0.673 50.973 52.037 -0.653 0.000 0.789 226 A CB 0.919 19.188 19.000 -1.219 0.000 1.025 226 A HN 0.447 8.272 8.150 -0.541 0.000 0.490 227 A N 0.767 123.230 122.820 -0.595 0.000 2.610 227 A HA 0.188 4.347 4.320 -0.268 0.000 0.291 227 A C -2.383 175.023 177.584 -0.298 0.000 1.086 227 A CA -0.547 51.205 52.037 -0.476 0.000 0.677 227 A CB 2.824 21.465 19.000 -0.599 0.000 1.278 227 A HN 0.377 8.152 8.150 -0.625 0.000 0.414 228 A N -0.356 122.449 122.820 -0.025 0.000 2.401 228 A HA 0.197 4.580 4.320 0.105 0.000 0.259 228 A C -0.132 177.611 177.584 0.265 0.000 1.103 228 A CA -0.804 51.300 52.037 0.111 0.000 0.789 228 A CB 0.215 19.282 19.000 0.112 0.000 1.035 228 A HN 0.068 8.225 8.150 0.010 0.000 0.491 229 I N 0.395 121.133 120.570 0.280 0.000 2.752 229 I HA -0.146 4.169 4.170 0.240 0.000 0.289 229 I C 1.068 177.246 176.117 0.103 0.000 1.197 229 I CA 1.144 62.577 61.300 0.223 0.000 1.432 229 I CB 0.577 38.694 38.000 0.194 0.000 1.359 229 I HN 0.123 8.473 8.210 0.232 0.000 0.571 230 T N 3.082 117.633 114.554 -0.005 0.000 3.004 230 T HA 0.146 4.536 4.350 0.066 0.000 0.266 230 T C -0.297 174.448 174.700 0.076 0.000 0.986 230 T CA -0.187 61.940 62.100 0.045 0.000 0.902 230 T CB 0.860 69.792 68.868 0.106 0.000 1.118 230 T HN 0.397 8.545 8.240 -0.152 0.000 0.522 231 H N -1.408 117.672 119.070 0.016 0.000 2.932 231 H HA 0.181 4.721 4.556 -0.027 0.000 0.307 231 H C -1.748 173.538 175.328 -0.070 0.000 1.391 231 H CA -0.526 55.506 56.048 -0.027 0.000 1.130 231 H CB 0.588 30.322 29.762 -0.047 0.000 1.836 231 H HN -0.669 7.423 8.280 -0.313 0.000 0.522 232 G N -2.500 106.338 108.800 0.064 0.000 2.616 232 G HA2 0.147 3.917 3.960 -0.316 0.000 0.268 232 G HA3 0.147 4.033 3.960 -0.123 0.000 0.268 232 G C 1.265 176.034 174.900 -0.217 0.000 1.213 232 G CA -1.152 43.850 45.100 -0.164 0.000 0.926 232 G HN 0.308 8.674 8.290 0.126 0.000 0.523 233 M N -3.519 115.774 119.600 -0.512 0.000 2.562 233 M HA -0.091 4.137 4.480 -0.420 0.000 0.257 233 M C -1.213 175.043 176.300 -0.074 0.000 1.099 233 M CA 1.515 56.558 55.300 -0.428 0.000 1.099 233 M CB 0.487 32.779 32.600 -0.512 0.000 1.427 233 M HN 0.165 8.143 8.290 -0.520 0.000 0.489 234 D N -0.953 119.403 120.400 -0.073 0.000 2.268 234 D HA 0.177 4.805 4.640 -0.020 0.000 0.249 234 D C -0.539 175.713 176.300 -0.079 0.000 1.008 234 D CA -0.429 53.545 54.000 -0.042 0.000 0.939 234 D CB 0.978 41.757 40.800 -0.035 0.000 1.170 234 D HN -0.534 7.733 8.370 -0.098 0.044 0.468 235 E N 0.806 120.930 120.200 -0.128 0.000 2.344 235 E HA -0.116 4.060 4.350 -0.290 0.000 0.270 235 E C -0.509 175.850 176.600 -0.401 0.000 1.021 235 E CA 0.349 56.560 56.400 -0.315 0.000 0.887 235 E CB 0.591 30.022 29.700 -0.449 0.000 0.997 235 E HN 0.123 8.433 8.360 -0.083 0.000 0.429 236 L N 7.642 128.640 121.223 -0.374 0.000 2.313 236 L HA 0.098 4.339 4.340 -0.164 0.000 0.282 236 L C -0.991 175.664 176.870 -0.358 0.000 1.092 236 L CA 0.136 54.816 54.840 -0.266 0.000 0.831 236 L CB 0.444 42.392 42.059 -0.186 0.000 1.159 236 L HN 0.132 8.147 8.230 -0.359 0.000 0.442 237 Y N 6.603 126.880 120.300 -0.039 0.000 2.326 237 Y HA 0.082 4.611 4.550 -0.034 0.000 0.337 237 Y C 0.280 176.164 175.900 -0.028 0.000 1.023 237 Y CA -0.151 57.930 58.100 -0.032 0.000 1.143 237 Y CB 0.794 39.239 38.460 -0.024 0.000 1.183 237 Y HN 0.242 8.564 8.280 0.070 0.000 0.485 238 K N 0.000 120.469 120.400 0.114 0.000 2.780 238 K HA 0.000 4.348 4.320 0.047 0.000 0.191 238 K CA 0.000 56.321 56.287 0.057 0.000 0.838 238 K CB 0.000 32.509 32.500 0.015 0.000 1.064 238 K HN 0.000 8.320 8.250 0.117 0.000 0.543