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 3l15_1_A DATA FIRST_RESID 222 DATA SEQUENCE GLGTARLQLV EFSAFVEPXX XXXXXQRHLF VHISQXXXXX XXXXLESVDV DATA SEQUENCE RQIYDKFPEK KGGLRELYDR GPPHAFFLVK FWADLNWXXX XXXXXXXXXX DATA SEQUENCE XXXGFYGVSS QYESLEHXTL TCSSKVCSFG KQVVEKVETE RAQLEDGRFV DATA SEQUENCE YRLLRSPXCE YLVNFLHKLR QLPERYXXNS VLENFTILQV VTNRDTQELL DATA SEQUENCE LCTAYVFEVS TSERGAQHHI YRLVR 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 222 G HA2 0.000 nan 3.960 nan 0.000 0.244 222 G HA3 0.000 3.914 3.960 -0.077 0.000 0.244 222 G C 0.000 174.752 174.900 -0.247 0.000 0.946 222 G CA 0.000 45.048 45.100 -0.086 0.000 0.502 223 L N 2.229 123.230 121.223 -0.369 0.000 2.407 223 L HA 0.045 3.537 4.340 -1.413 0.000 0.282 223 L C -1.257 175.286 176.870 -0.545 0.000 1.110 223 L CA 0.110 54.488 54.840 -0.770 0.000 0.863 223 L CB -0.043 41.700 42.059 -0.527 0.000 1.207 223 L HN 0.075 8.461 8.230 -0.261 -0.312 0.454 224 G N 2.405 110.840 108.800 -0.608 0.000 2.340 224 G HA2 0.198 4.211 3.960 -0.069 0.000 0.298 224 G HA3 0.198 4.117 3.960 -0.069 0.000 0.298 224 G C -2.300 172.679 174.900 0.131 0.000 1.498 224 G CA 0.240 45.270 45.100 -0.117 0.000 0.847 224 G HN -0.636 7.025 8.290 -1.048 0.000 0.594 225 T N -2.634 112.016 114.554 0.160 0.000 2.724 225 T HA 0.421 4.921 4.350 0.251 0.000 0.274 225 T C 1.079 175.848 174.700 0.115 0.000 0.984 225 T CA -2.781 59.443 62.100 0.207 0.000 1.024 225 T CB 2.496 71.523 68.868 0.266 0.000 1.320 225 T HN 0.359 8.668 8.240 0.115 0.000 0.555 226 A N -0.221 122.651 122.820 0.087 0.000 1.940 226 A HA -0.152 4.199 4.320 0.052 0.000 0.219 226 A C 1.172 178.796 177.584 0.067 0.000 1.176 226 A CA 2.592 54.663 52.037 0.057 0.000 0.631 226 A CB -0.434 18.582 19.000 0.027 0.000 0.814 226 A HN 0.645 8.844 8.150 0.081 0.000 0.446 227 R N -5.736 114.806 120.500 0.070 0.000 2.200 227 R HA -0.004 4.374 4.340 0.064 0.000 0.208 227 R C -0.502 175.828 176.300 0.049 0.000 1.033 227 R CA 0.926 57.060 56.100 0.056 0.000 1.000 227 R CB 1.232 31.553 30.300 0.035 0.000 0.906 227 R HN -0.677 7.625 8.270 0.081 0.017 0.462 228 L N -3.556 117.697 121.223 0.049 0.000 2.592 228 L HA 0.442 4.978 4.340 0.064 -0.158 0.258 228 L C -2.825 174.091 176.870 0.077 0.000 0.926 228 L CA -0.037 54.825 54.840 0.037 0.000 0.885 228 L CB 3.860 45.873 42.059 -0.076 0.000 1.380 228 L HN -0.851 7.417 8.230 0.063 0.000 0.415 229 Q N 2.648 122.525 119.800 0.129 0.000 2.372 229 Q HA 0.427 4.805 4.340 0.063 0.000 0.273 229 Q C -1.663 174.446 176.000 0.183 0.000 1.078 229 Q CA -1.536 54.331 55.803 0.107 0.000 0.806 229 Q CB 3.694 32.470 28.738 0.064 0.000 1.332 229 Q HN 0.225 8.592 8.270 0.161 0.000 0.435 230 L N 2.952 124.238 121.223 0.105 0.000 2.410 230 L HA -0.164 4.108 4.340 -0.113 0.000 0.273 230 L C -1.127 175.708 176.870 -0.058 0.000 1.152 230 L CA 1.122 55.946 54.840 -0.027 0.000 0.855 230 L CB 0.367 42.374 42.059 -0.086 0.000 1.129 230 L HN -0.089 8.161 8.230 0.033 0.000 0.463 231 V N 4.638 124.498 119.914 -0.089 0.000 3.085 231 V HA -0.014 4.095 4.120 -0.019 0.000 0.245 231 V C -1.032 175.037 176.094 -0.042 0.000 1.114 231 V CA 1.168 63.447 62.300 -0.035 0.000 1.108 231 V CB 1.413 33.241 31.823 0.008 0.000 0.798 231 V HN 0.730 8.820 8.190 -0.167 0.000 0.471 232 E N -1.939 118.226 120.200 -0.057 0.000 2.363 232 E HA 0.528 5.057 4.350 -0.009 -0.185 0.281 232 E C -2.597 174.049 176.600 0.077 0.000 0.953 232 E CA -0.558 55.844 56.400 0.004 0.000 0.778 232 E CB 3.976 33.695 29.700 0.031 0.000 1.220 232 E HN -0.695 7.598 8.360 -0.113 0.000 0.431 233 F N 6.993 126.931 119.950 -0.020 0.000 2.689 233 F HA 0.755 5.506 4.527 0.031 -0.206 0.332 233 F C -3.025 172.870 175.800 0.159 0.000 1.209 233 F CA -0.833 57.191 58.000 0.040 0.000 1.028 233 F CB 3.646 42.673 39.000 0.044 0.000 1.291 233 F HN 0.550 8.946 8.300 0.160 0.000 0.500 234 S N 6.515 121.998 115.700 -0.362 0.000 2.542 234 S HA 0.846 5.486 4.470 0.017 -0.160 0.293 234 S C -2.128 172.247 174.600 -0.374 0.000 1.089 234 S CA -2.036 56.072 58.200 -0.153 0.000 0.961 234 S CB 3.722 66.940 63.200 0.031 0.000 1.062 234 S HN 0.435 8.481 8.310 -0.441 0.000 0.483 235 A N 1.303 124.021 122.820 -0.170 0.000 2.356 235 A HA 0.986 5.283 4.320 -0.295 -0.154 0.310 235 A C -2.167 175.445 177.584 0.047 0.000 1.075 235 A CA -1.629 50.325 52.037 -0.139 0.000 0.746 235 A CB 3.105 22.042 19.000 -0.105 0.000 1.221 235 A HN 0.051 8.148 8.150 -0.089 0.000 0.443 236 F N -1.928 117.944 119.950 -0.130 0.000 2.711 236 F HA 0.983 5.181 4.527 -0.769 -0.132 0.313 236 F C -2.875 172.706 175.800 -0.364 0.000 1.141 236 F CA -1.822 55.929 58.000 -0.415 0.000 0.941 236 F CB 3.200 41.978 39.000 -0.370 0.000 1.349 236 F HN 0.341 8.209 8.300 -0.721 0.000 0.464 237 V N -0.546 119.144 119.914 -0.374 0.000 2.760 237 V HA 0.822 4.812 4.120 -0.548 -0.200 0.309 237 V C -1.985 173.980 176.094 -0.215 0.000 1.077 237 V CA -2.708 59.285 62.300 -0.512 0.000 0.910 237 V CB 3.309 34.539 31.823 -0.988 0.000 1.008 237 V HN 0.229 8.131 8.190 -0.479 0.000 0.424 238 E N 7.740 127.894 120.200 -0.077 0.000 2.263 238 E HA 0.571 4.915 4.350 -0.010 0.000 0.264 238 E C -2.162 174.447 176.600 0.015 0.000 0.923 238 E CA -3.307 53.105 56.400 0.019 0.000 0.802 238 E CB 2.189 31.968 29.700 0.130 0.000 1.228 238 E HN 0.009 8.317 8.360 -0.087 0.000 0.417 248 R N 1.454 121.888 120.500 -0.111 0.000 2.643 248 R HA 0.399 4.777 4.340 -0.081 -0.087 0.272 248 R C -1.172 175.052 176.300 -0.126 0.000 0.995 248 R CA -0.864 55.160 56.100 -0.126 0.000 1.032 248 R CB 1.465 31.633 30.300 -0.220 0.000 1.126 248 R HN 0.089 8.274 8.270 -0.142 0.000 0.505 249 H N 1.599 120.507 119.070 -0.271 0.000 2.504 249 H HA 0.265 4.668 4.556 -0.254 0.000 0.322 249 H C -1.521 173.485 175.328 -0.537 0.000 1.055 249 H CA -0.435 55.399 56.048 -0.356 0.000 1.231 249 H CB 1.911 31.444 29.762 -0.381 0.000 1.417 249 H HN 0.039 8.248 8.280 -0.119 0.000 0.472 250 L N 6.515 127.235 121.223 -0.838 0.000 2.265 250 L HA 0.023 4.160 4.340 -0.557 -0.132 0.288 250 L C -0.332 176.022 176.870 -0.859 0.000 1.058 250 L CA -0.506 53.916 54.840 -0.696 0.000 0.809 250 L CB -0.041 41.780 42.059 -0.398 0.000 1.179 250 L HN 0.435 8.232 8.230 -0.723 0.000 0.429 251 F N 1.290 121.062 119.950 -0.296 0.000 2.206 251 F HA -0.015 4.625 4.527 -0.113 -0.181 0.298 251 F C 0.535 176.274 175.800 -0.101 0.000 1.090 251 F CA 2.047 59.950 58.000 -0.161 0.000 1.323 251 F CB 0.812 39.727 39.000 -0.142 0.000 1.028 251 F HN 0.064 7.929 8.300 -0.725 0.000 0.492 252 V N -10.903 109.027 119.914 0.027 0.000 3.120 252 V HA 0.409 4.579 4.120 0.084 0.000 0.303 252 V C -2.659 173.501 176.094 0.110 0.000 1.238 252 V CA -1.956 60.317 62.300 -0.045 0.000 1.008 252 V CB 2.846 34.212 31.823 -0.762 0.000 1.064 252 V HN -0.993 7.205 8.190 0.014 0.000 0.434 253 H N 3.789 122.941 119.070 0.138 0.000 3.099 253 H HA 0.654 5.467 4.556 0.111 -0.190 0.342 253 H C -1.446 173.993 175.328 0.185 0.000 1.054 253 H CA -0.333 55.797 56.048 0.135 0.000 1.328 253 H CB 2.114 31.906 29.762 0.049 0.000 1.876 253 H HN 0.025 8.533 8.280 0.380 0.000 0.495 254 I N 7.155 127.619 120.570 -0.176 0.000 2.406 254 I HA 0.256 4.154 4.170 -0.454 0.000 0.290 254 I C -1.477 174.367 176.117 -0.456 0.000 0.999 254 I CA -0.598 60.473 61.300 -0.382 0.000 1.124 254 I CB 3.119 40.954 38.000 -0.275 0.000 1.289 254 I HN 0.704 8.837 8.210 0.049 0.106 0.441 255 S N 6.860 122.329 115.700 -0.385 0.000 2.707 255 S HA 0.284 4.652 4.470 -0.171 0.000 0.312 255 S C -0.886 173.671 174.600 -0.071 0.000 1.116 255 S CA -1.115 56.955 58.200 -0.216 0.000 1.078 255 S CB 0.598 63.694 63.200 -0.173 0.000 0.997 255 S HN 0.330 8.478 8.310 -0.270 0.000 0.477 267 E N 2.488 122.729 120.200 0.069 0.000 2.371 267 E HA 0.259 4.672 4.350 0.104 0.000 0.257 267 E C -1.278 175.461 176.600 0.231 0.000 1.134 267 E CA -0.166 56.325 56.400 0.151 0.000 0.919 267 E CB 1.489 31.325 29.700 0.226 0.000 1.025 267 E HN 0.424 8.791 8.360 0.012 0.000 0.438 268 S N -0.085 115.713 115.700 0.163 0.000 2.607 268 S HA 0.850 5.581 4.470 0.139 -0.179 0.303 268 S C -0.699 173.921 174.600 0.034 0.000 1.086 268 S CA -1.538 56.727 58.200 0.107 0.000 0.995 268 S CB 2.588 65.812 63.200 0.040 0.000 1.084 268 S HN 0.158 8.540 8.310 0.120 0.000 0.507 269 V N -0.134 119.759 119.914 -0.034 0.000 2.841 269 V HA 0.226 4.259 4.120 -0.146 0.000 0.310 269 V C -2.210 173.793 176.094 -0.152 0.000 1.090 269 V CA -1.205 61.013 62.300 -0.137 0.000 0.930 269 V CB 4.369 36.053 31.823 -0.232 0.000 1.014 269 V HN 0.480 8.663 8.190 -0.013 0.000 0.425 270 D N 5.247 125.541 120.400 -0.177 0.000 2.348 270 D HA 0.112 4.806 4.640 -0.229 -0.191 0.253 270 D C 1.151 177.258 176.300 -0.322 0.000 1.161 270 D CA 0.511 54.372 54.000 -0.231 0.000 0.876 270 D CB 1.634 42.310 40.800 -0.206 0.000 1.160 270 D HN -0.240 8.229 8.370 -0.166 -0.198 0.459 271 V N 6.475 126.119 119.914 -0.450 0.000 2.720 271 V HA -0.405 3.480 4.120 -0.391 0.000 0.256 271 V C 1.191 176.837 176.094 -0.747 0.000 1.082 271 V CA 2.546 64.518 62.300 -0.546 0.000 1.101 271 V CB 0.179 31.532 31.823 -0.784 0.000 0.693 271 V HN 0.355 8.256 8.190 -0.482 0.000 0.479 272 R N -0.835 119.173 120.500 -0.820 0.000 2.148 272 R HA -0.273 3.020 4.340 -1.745 0.000 0.227 272 R C 2.672 178.686 176.300 -0.478 0.000 1.103 272 R CA 3.136 58.661 56.100 -0.957 0.000 0.983 272 R CB -0.466 29.474 30.300 -0.599 0.000 0.874 272 R HN -0.336 7.793 8.270 -0.648 -0.247 0.451 273 Q N -1.856 117.754 119.800 -0.317 0.000 2.368 273 Q HA -0.249 4.003 4.340 -0.146 0.000 0.210 273 Q C 1.205 177.142 176.000 -0.105 0.000 0.982 273 Q CA 2.551 58.248 55.803 -0.177 0.000 0.884 273 Q CB 0.203 28.848 28.738 -0.155 0.000 0.933 273 Q HN -0.330 7.636 8.270 -0.326 0.107 0.460 274 I N -9.372 111.138 120.570 -0.100 0.000 4.240 274 I HA 0.402 4.620 4.170 0.081 0.000 0.331 274 I C 0.197 176.478 176.117 0.273 0.000 1.381 274 I CA -1.524 59.829 61.300 0.088 0.000 1.136 274 I CB 1.056 39.150 38.000 0.158 0.000 1.137 274 I HN -0.474 7.449 8.210 -0.205 0.165 0.411 275 Y N 2.156 122.487 120.300 0.053 0.000 2.193 275 Y HA -0.444 4.155 4.550 0.082 0.000 0.285 275 Y C 1.565 177.535 175.900 0.116 0.000 1.166 275 Y CA 1.884 60.026 58.100 0.069 0.000 1.181 275 Y CB -0.772 37.685 38.460 -0.005 0.000 0.976 275 Y HN -0.835 7.474 8.280 0.049 0.000 0.520 276 D N -5.212 115.325 120.400 0.228 0.000 2.371 276 D HA -0.229 4.475 4.640 0.107 0.000 0.221 276 D C 0.462 176.782 176.300 0.032 0.000 0.986 276 D CA 1.371 55.437 54.000 0.110 0.000 0.899 276 D CB -1.333 39.505 40.800 0.064 0.000 0.902 276 D HN 0.390 8.854 8.370 0.195 0.024 0.530 277 K N -2.491 117.922 120.400 0.021 0.000 2.374 277 K HA 0.105 4.259 4.320 -0.276 0.000 0.196 277 K C -0.916 175.302 176.600 -0.638 0.000 1.023 277 K CA 0.099 56.201 56.287 -0.307 0.000 1.103 277 K CB 0.660 32.910 32.500 -0.416 0.000 0.848 277 K HN -0.573 7.717 8.250 0.157 0.053 0.528 278 F N -1.622 118.336 119.950 0.014 0.000 2.588 278 F HA 0.311 4.838 4.527 0.000 0.000 0.314 278 F C -2.582 173.211 175.800 -0.012 0.000 1.069 278 F CA -2.582 55.423 58.000 0.008 0.000 0.931 278 F CB 1.593 40.612 39.000 0.032 0.000 1.260 278 F HN -0.842 7.540 8.300 0.224 0.053 0.465 279 P HA -0.002 4.552 4.420 0.035 -0.113 0.267 279 P C -0.475 176.852 177.300 0.045 0.000 1.200 279 P CA -0.506 62.632 63.100 0.064 0.000 0.772 279 P CB 0.495 32.225 31.700 0.050 0.000 0.855 280 E N 2.625 122.828 120.200 0.005 0.000 2.515 280 E HA -0.075 4.247 4.350 -0.048 0.000 0.315 280 E C -0.029 176.560 176.600 -0.018 0.000 1.523 280 E CA -1.017 55.367 56.400 -0.027 0.000 1.704 280 E CB -2.486 27.192 29.700 -0.037 0.000 1.395 280 E HN 0.424 8.786 8.360 0.004 0.000 0.490 281 K N -0.700 119.698 120.400 -0.004 0.000 2.127 281 K HA -0.243 4.077 4.320 0.001 0.000 0.208 281 K C 1.151 177.746 176.600 -0.008 0.000 1.047 281 K CA 2.240 58.527 56.287 0.000 0.000 0.927 281 K CB -0.212 32.296 32.500 0.013 0.000 0.716 281 K HN -0.355 7.846 8.250 0.006 0.053 0.450 282 K N -1.828 118.563 120.400 -0.016 0.000 2.444 282 K HA 0.110 4.350 4.320 -0.029 0.063 0.193 282 K C 0.972 177.562 176.600 -0.018 0.000 1.024 282 K CA -0.191 56.080 56.287 -0.026 0.000 1.077 282 K CB 0.015 32.491 32.500 -0.041 0.000 0.833 282 K HN 0.165 8.405 8.250 -0.016 0.000 0.517 283 G N -1.443 107.354 108.800 -0.004 0.000 2.631 283 G HA2 -0.252 3.886 3.960 0.005 0.000 0.221 283 G HA3 -0.252 3.714 3.960 0.009 0.000 0.221 283 G C -0.202 174.708 174.900 0.017 0.000 1.095 283 G CA 0.737 45.841 45.100 0.006 0.000 0.727 283 G HN -0.040 8.191 8.290 -0.003 0.057 0.587 284 G N -1.268 107.542 108.800 0.017 0.000 2.479 284 G HA2 -0.065 3.924 3.960 0.049 0.000 0.275 284 G HA3 -0.065 4.099 3.960 0.048 -0.175 0.275 284 G C -0.019 174.876 174.900 -0.007 0.000 1.421 284 G CA -0.826 44.292 45.100 0.030 0.000 1.059 284 G HN -0.843 7.375 8.290 0.011 0.078 0.535 285 L N 0.401 121.597 121.223 -0.045 0.000 2.017 285 L HA -0.271 4.049 4.340 -0.034 0.000 0.208 285 L C 1.883 178.696 176.870 -0.095 0.000 1.073 285 L CA 2.923 57.709 54.840 -0.090 0.000 0.745 285 L CB -0.209 41.708 42.059 -0.237 0.000 0.894 285 L HN 0.451 8.672 8.230 -0.014 0.000 0.432 286 R N -2.025 118.313 120.500 -0.269 0.000 2.081 286 R HA -0.467 3.577 4.340 -0.493 0.000 0.235 286 R C 1.708 177.897 176.300 -0.185 0.000 1.131 286 R CA 3.876 59.699 56.100 -0.461 0.000 0.960 286 R CB -0.634 29.177 30.300 -0.815 0.000 0.856 286 R HN 0.242 8.340 8.270 -0.287 0.000 0.436 287 E N -0.666 119.460 120.200 -0.123 0.000 2.031 287 E HA -0.271 4.038 4.350 -0.067 0.000 0.193 287 E C 2.402 178.996 176.600 -0.010 0.000 0.994 287 E CA 2.892 59.257 56.400 -0.059 0.000 0.800 287 E CB -0.405 29.270 29.700 -0.042 0.000 0.752 287 E HN -0.422 7.862 8.360 -0.127 0.000 0.447 288 L N -1.334 119.914 121.223 0.043 0.000 1.990 288 L HA -0.483 3.935 4.340 0.130 0.000 0.213 288 L C 2.303 179.231 176.870 0.097 0.000 1.072 288 L CA 3.299 58.233 54.840 0.156 0.000 0.755 288 L CB -0.211 42.035 42.059 0.311 0.000 0.889 288 L HN -0.660 7.593 8.230 0.038 0.000 0.432 289 Y N -1.066 119.063 120.300 -0.285 0.000 2.181 289 Y HA -0.587 3.125 4.550 -1.396 0.000 0.288 289 Y C 1.837 177.530 175.900 -0.345 0.000 1.146 289 Y CA 3.532 61.195 58.100 -0.728 0.000 1.164 289 Y CB 0.036 38.094 38.460 -0.669 0.000 0.982 289 Y HN -0.288 7.993 8.280 0.002 0.000 0.515 290 D N -2.172 118.195 120.400 -0.056 0.000 2.116 290 D HA -0.308 4.318 4.640 -0.025 0.000 0.193 290 D C 1.968 178.207 176.300 -0.101 0.000 0.998 290 D CA 2.788 56.756 54.000 -0.053 0.000 0.836 290 D CB -0.277 40.508 40.800 -0.025 0.000 0.951 290 D HN -0.598 7.767 8.370 -0.008 0.000 0.449 291 R N -2.699 117.756 120.500 -0.075 0.000 2.307 291 R HA -0.080 4.229 4.340 -0.050 0.000 0.199 291 R C 1.071 177.333 176.300 -0.064 0.000 1.000 291 R CA 0.179 56.249 56.100 -0.051 0.000 1.023 291 R CB 0.265 30.557 30.300 -0.014 0.000 0.908 291 R HN -0.682 7.557 8.270 -0.053 0.000 0.473 292 G N 0.569 109.294 108.800 -0.124 0.000 2.740 292 G HA2 -0.342 3.480 3.960 -0.231 0.000 0.250 292 G HA3 -0.342 3.508 3.960 -0.183 0.000 0.250 292 G C -2.531 172.372 174.900 0.004 0.000 1.358 292 G CA -0.780 44.242 45.100 -0.130 0.000 0.897 292 G HN -0.484 7.538 8.290 -0.191 0.153 0.567 293 P HA 0.432 4.758 4.420 -0.156 0.000 0.281 293 P C -1.229 175.923 177.300 -0.247 0.000 1.249 293 P CA -2.201 60.790 63.100 -0.182 0.000 0.810 293 P CB -0.572 31.008 31.700 -0.200 0.000 1.008 294 P HA -0.204 3.712 4.420 -0.840 0.000 0.218 294 P C 0.721 177.944 177.300 -0.129 0.000 1.148 294 P CA 2.358 65.208 63.100 -0.417 0.000 0.822 294 P CB -0.085 31.430 31.700 -0.308 0.000 0.784 295 H N -6.785 112.263 119.070 -0.037 0.000 2.559 295 H HA -0.155 4.320 4.556 -0.134 0.000 0.273 295 H C -0.005 175.262 175.328 -0.103 0.000 1.000 295 H CA 1.082 57.084 56.048 -0.077 0.000 1.195 295 H CB -0.996 28.753 29.762 -0.023 0.000 1.368 295 H HN 0.053 8.208 8.280 -0.208 0.000 0.592 296 A N -1.732 120.796 122.820 -0.485 0.000 2.238 296 A HA -0.007 4.286 4.320 -0.045 0.000 0.208 296 A C -1.744 175.647 177.584 -0.322 0.000 1.177 296 A CA 0.257 52.120 52.037 -0.290 0.000 0.804 296 A CB 0.870 19.615 19.000 -0.426 0.000 0.823 296 A HN -0.797 6.952 8.150 -0.592 0.046 0.482 297 F N -1.601 118.106 119.950 -0.405 0.000 2.427 297 F HA 0.845 5.527 4.527 -0.100 -0.215 0.346 297 F C -1.197 174.282 175.800 -0.535 0.000 1.120 297 F CA -1.065 56.779 58.000 -0.259 0.000 1.033 297 F CB 2.062 41.042 39.000 -0.032 0.000 1.126 297 F HN -0.748 7.420 8.300 -0.114 0.063 0.462 298 F N 1.795 121.793 119.950 0.081 0.000 2.599 298 F HA 0.602 5.296 4.527 0.060 -0.131 0.311 298 F C -1.989 173.771 175.800 -0.067 0.000 1.076 298 F CA -1.400 56.605 58.000 0.008 0.000 0.937 298 F CB 5.016 43.982 39.000 -0.058 0.000 1.282 298 F HN 0.436 8.836 8.300 0.166 0.000 0.460 299 L N 1.632 122.949 121.223 0.158 0.000 2.333 299 L HA 0.745 5.215 4.340 -0.066 -0.169 0.280 299 L C -2.135 174.753 176.870 0.029 0.000 1.004 299 L CA -1.422 53.440 54.840 0.038 0.000 0.820 299 L CB 3.454 45.557 42.059 0.074 0.000 1.247 299 L HN 0.457 8.834 8.230 0.246 0.000 0.416 300 V N 7.324 127.105 119.914 -0.221 0.000 2.435 300 V HA 0.410 4.606 4.120 -0.139 -0.160 0.290 300 V C -1.981 173.949 176.094 -0.274 0.000 1.030 300 V CA -1.206 60.927 62.300 -0.280 0.000 0.881 300 V CB 2.242 33.739 31.823 -0.543 0.000 0.983 300 V HN 0.947 8.909 8.190 -0.381 0.000 0.445 301 K N 7.514 127.821 120.400 -0.155 0.000 2.293 301 K HA 0.473 4.754 4.320 -0.322 -0.155 0.267 301 K C -1.636 174.712 176.600 -0.419 0.000 1.010 301 K CA -2.057 54.072 56.287 -0.262 0.000 0.875 301 K CB 1.236 33.704 32.500 -0.054 0.000 1.106 301 K HN 0.050 8.300 8.250 -0.001 0.000 0.450 302 F N 6.593 126.315 119.950 -0.380 0.000 2.421 302 F HA 0.335 5.041 4.527 0.087 -0.127 0.337 302 F C -0.825 174.801 175.800 -0.290 0.000 1.105 302 F CA -1.285 56.621 58.000 -0.156 0.000 1.049 302 F CB 3.229 42.175 39.000 -0.090 0.000 1.139 302 F HN 0.610 8.672 8.300 -0.397 0.000 0.479 303 W N 2.894 124.427 121.300 0.389 0.000 2.288 303 W HA 0.373 5.399 4.660 0.303 -0.184 0.325 303 W C -1.326 175.382 176.519 0.314 0.000 1.019 303 W CA -1.309 56.218 57.345 0.303 0.000 1.403 303 W CB 0.493 30.074 29.460 0.202 0.000 1.226 303 W HN 0.461 9.143 8.180 0.835 0.000 0.391 304 A N 3.776 126.846 122.820 0.416 0.000 2.351 304 A HA 0.337 5.014 4.320 0.324 -0.163 0.257 304 A C -1.605 176.181 177.584 0.337 0.000 1.087 304 A CA -1.079 51.165 52.037 0.344 0.000 0.798 304 A CB 1.773 20.946 19.000 0.289 0.000 1.033 304 A HN 0.516 8.888 8.150 0.369 0.000 0.488 305 D N 1.427 122.026 120.400 0.332 0.000 2.428 305 D HA 0.238 5.079 4.640 0.335 0.000 0.221 305 D C -0.549 176.103 176.300 0.587 0.000 1.123 305 D CA -1.113 53.109 54.000 0.371 0.000 0.869 305 D CB 0.143 41.103 40.800 0.266 0.000 1.032 305 D HN -0.094 8.454 8.370 0.298 0.000 0.506 306 L N 4.369 125.881 121.223 0.482 0.000 2.783 306 L HA 0.026 4.859 4.340 0.821 0.000 0.236 306 L C -1.107 176.084 176.870 0.535 0.000 1.225 306 L CA -0.670 54.522 54.840 0.585 0.000 1.026 306 L CB -1.088 41.163 42.059 0.319 0.000 1.314 306 L HN 0.097 8.546 8.230 0.364 0.000 0.489 307 N N 0.581 119.534 118.700 0.423 0.000 3.114 307 N HA 0.098 4.883 4.740 0.075 0.000 0.289 307 N C -1.522 173.995 175.510 0.012 0.000 1.519 307 N CA -0.551 52.599 53.050 0.166 0.000 1.026 307 N CB 0.426 39.008 38.487 0.159 0.000 1.306 307 N HN -0.652 8.217 8.380 0.501 -0.189 0.495 326 F N 1.282 121.212 119.950 -0.034 0.000 2.415 326 F HA 0.375 4.970 4.527 0.114 0.000 0.348 326 F C -2.005 173.685 175.800 -0.184 0.000 1.119 326 F CA -1.100 56.902 58.000 0.003 0.000 1.069 326 F CB 2.213 41.230 39.000 0.028 0.000 1.124 326 F HN -0.264 8.145 8.300 0.182 0.000 0.472 327 Y N 6.174 125.987 120.300 -0.811 0.000 2.328 327 Y HA 0.521 4.889 4.550 -0.579 -0.165 0.337 327 Y C -0.617 174.561 175.900 -1.202 0.000 0.966 327 Y CA -1.502 56.150 58.100 -0.747 0.000 1.136 327 Y CB 1.898 40.102 38.460 -0.426 0.000 1.170 327 Y HN 0.358 8.322 8.280 -0.526 0.000 0.470 328 G N 1.104 109.172 108.800 -1.220 0.000 2.605 328 G HA2 0.792 4.440 3.960 -0.803 0.000 0.296 328 G HA3 0.792 4.087 3.960 -1.109 0.000 0.296 328 G C -3.156 171.067 174.900 -1.128 0.000 1.304 328 G CA -1.269 43.139 45.100 -1.154 0.000 0.941 328 G HN 0.307 7.772 8.290 -1.374 0.000 0.475 329 V N -0.622 118.979 119.914 -0.521 0.000 2.588 329 V HA 0.538 4.544 4.120 -0.442 -0.151 0.304 329 V C -1.842 174.202 176.094 -0.083 0.000 1.042 329 V CA -1.580 60.515 62.300 -0.341 0.000 0.877 329 V CB 3.666 35.355 31.823 -0.224 0.000 0.996 329 V HN 0.336 8.331 8.190 -0.325 0.000 0.425 330 S N 6.712 122.387 115.700 -0.042 0.000 2.532 330 S HA 0.787 5.507 4.470 0.077 -0.203 0.299 330 S C -1.242 173.309 174.600 -0.082 0.000 1.105 330 S CA -1.181 57.041 58.200 0.037 0.000 1.018 330 S CB 2.444 65.723 63.200 0.131 0.000 1.021 330 S HN 0.435 8.659 8.310 -0.142 0.000 0.483 331 S N 3.729 119.444 115.700 0.025 0.000 2.548 331 S HA 0.637 5.277 4.470 0.016 -0.160 0.286 331 S C -2.263 172.324 174.600 -0.020 0.000 1.098 331 S CA -1.036 57.180 58.200 0.026 0.000 0.930 331 S CB 3.638 66.932 63.200 0.156 0.000 1.070 331 S HN 0.637 8.989 8.310 0.070 0.000 0.480 332 Q N 3.057 122.752 119.800 -0.175 0.000 2.271 332 Q HA 0.941 5.536 4.340 0.064 -0.217 0.268 332 Q C -1.963 173.898 176.000 -0.232 0.000 1.021 332 Q CA -1.079 54.681 55.803 -0.073 0.000 0.802 332 Q CB 4.257 33.000 28.738 0.009 0.000 1.282 332 Q HN 0.233 8.348 8.270 -0.257 0.000 0.431 333 Y N 3.723 124.139 120.300 0.193 0.000 2.621 333 Y HA 0.878 5.647 4.550 0.126 -0.143 0.334 333 Y C -0.627 175.447 175.900 0.290 0.000 1.074 333 Y CA -2.347 55.860 58.100 0.178 0.000 1.149 333 Y CB 4.177 42.690 38.460 0.089 0.000 1.302 333 Y HN 0.673 9.218 8.280 0.442 0.000 0.501 334 E N -2.802 117.648 120.200 0.417 0.000 2.413 334 E HA 0.924 5.752 4.350 0.524 -0.163 0.277 334 E C -1.481 175.330 176.600 0.352 0.000 0.958 334 E CA -1.867 54.771 56.400 0.397 0.000 0.779 334 E CB 4.510 34.340 29.700 0.216 0.000 1.278 334 E HN 0.068 8.637 8.360 0.349 0.000 0.456 335 S N -1.639 114.307 115.700 0.411 0.000 2.656 335 S HA 0.482 5.083 4.470 0.218 0.000 0.273 335 S C -0.541 174.256 174.600 0.328 0.000 1.168 335 S CA -1.681 56.703 58.200 0.307 0.000 0.817 335 S CB 2.994 66.367 63.200 0.288 0.000 1.146 335 S HN 0.472 9.077 8.310 0.492 0.000 0.475 336 L N -0.842 120.538 121.223 0.261 0.000 2.558 336 L HA 0.086 4.563 4.340 0.228 0.000 0.225 336 L C 0.160 177.296 176.870 0.444 0.000 1.128 336 L CA 0.742 55.746 54.840 0.273 0.000 0.868 336 L CB 0.122 42.273 42.059 0.153 0.000 1.006 336 L HN 0.710 9.065 8.230 0.207 0.000 0.454 337 E N -3.349 117.078 120.200 0.378 0.000 2.214 337 E HA 0.078 4.595 4.350 0.279 0.000 0.274 337 E C -1.447 175.172 176.600 0.032 0.000 0.977 337 E CA -1.284 55.265 56.400 0.248 0.000 0.827 337 E CB 1.740 31.513 29.700 0.123 0.000 1.130 337 E HN -0.541 8.008 8.360 0.315 0.000 0.394 341 L N 4.993 126.182 121.223 -0.057 0.000 2.322 341 L HA 0.524 4.881 4.340 -0.195 -0.134 0.279 341 L C -0.842 175.976 176.870 -0.088 0.000 1.036 341 L CA -1.208 53.533 54.840 -0.164 0.000 0.807 341 L CB 2.490 44.350 42.059 -0.332 0.000 1.226 341 L HN 0.805 9.047 8.230 0.020 0.000 0.433 342 T N 4.816 119.311 114.554 -0.099 0.000 2.771 342 T HA 0.535 5.020 4.350 -0.030 -0.153 0.281 342 T C -0.946 173.712 174.700 -0.071 0.000 0.982 342 T CA 0.227 62.293 62.100 -0.057 0.000 0.978 342 T CB 1.124 69.968 68.868 -0.041 0.000 0.930 342 T HN 0.384 8.551 8.240 -0.122 0.000 0.447 343 C N 8.185 127.470 119.300 -0.024 0.000 2.293 343 C HA 0.446 5.026 4.460 -0.036 -0.141 0.323 343 C C -1.389 173.625 174.990 0.039 0.000 1.240 343 C CA -1.586 57.433 59.018 0.001 0.000 1.497 343 C CB 1.752 29.529 27.740 0.061 0.000 2.171 343 C HN 0.918 9.149 8.230 0.001 0.000 0.465 344 S N 5.726 121.448 115.700 0.035 0.000 2.451 344 S HA 0.717 5.408 4.470 0.054 -0.189 0.301 344 S C -1.025 173.628 174.600 0.089 0.000 1.116 344 S CA -1.764 56.468 58.200 0.052 0.000 1.093 344 S CB 1.233 64.452 63.200 0.031 0.000 1.017 344 S HN 0.846 9.167 8.310 0.018 0.000 0.482 345 S N 7.967 123.727 115.700 0.101 0.000 2.596 345 S HA 0.463 5.164 4.470 0.165 -0.132 0.318 345 S C -1.606 173.062 174.600 0.112 0.000 1.097 345 S CA -0.607 57.674 58.200 0.135 0.000 1.080 345 S CB 2.006 65.292 63.200 0.143 0.000 0.991 345 S HN 0.566 8.928 8.310 0.087 0.000 0.471 346 K N 7.254 127.737 120.400 0.138 0.000 2.394 346 K HA 0.610 5.168 4.320 0.068 -0.197 0.260 346 K C -1.025 175.650 176.600 0.124 0.000 0.967 346 K CA -1.434 54.918 56.287 0.108 0.000 0.855 346 K CB 2.887 35.460 32.500 0.121 0.000 1.101 346 K HN 0.291 8.647 8.250 0.176 0.000 0.433 347 V N 5.484 125.428 119.914 0.049 0.000 2.498 347 V HA 0.120 4.422 4.120 0.093 -0.126 0.279 347 V C -0.815 175.248 176.094 -0.052 0.000 1.048 347 V CA -0.453 61.862 62.300 0.025 0.000 0.967 347 V CB 1.326 33.129 31.823 -0.034 0.000 0.988 347 V HN -0.034 8.162 8.190 0.011 0.000 0.473 348 C N 6.832 126.096 119.300 -0.060 0.000 2.507 348 C HA 0.641 5.174 4.460 -0.164 -0.171 0.319 348 C C -1.373 173.419 174.990 -0.330 0.000 1.208 348 C CA -1.925 56.991 59.018 -0.171 0.000 1.619 348 C CB 3.524 31.154 27.740 -0.182 0.000 2.230 348 C HN 0.754 8.973 8.230 -0.018 0.000 0.492 349 S N 1.473 116.934 115.700 -0.398 0.000 2.707 349 S HA 0.587 4.456 4.470 -1.298 -0.178 0.303 349 S C 0.146 174.539 174.600 -0.345 0.000 1.132 349 S CA -2.002 55.755 58.200 -0.738 0.000 1.046 349 S CB 1.564 64.458 63.200 -0.511 0.000 1.004 349 S HN 0.439 8.579 8.310 -0.282 0.000 0.483 350 F N 7.316 126.954 119.950 -0.520 0.000 3.039 350 F HA -0.338 4.030 4.527 -0.265 0.000 0.287 350 F C 0.431 176.100 175.800 -0.220 0.000 0.956 350 F CA 1.053 58.874 58.000 -0.299 0.000 0.971 350 F CB -1.843 37.022 39.000 -0.226 0.000 0.943 350 F HN 0.716 8.394 8.300 -1.038 0.000 0.766 351 G N -5.740 102.960 108.800 -0.166 0.000 2.189 351 G HA2 -0.561 3.305 3.960 -0.157 0.000 0.267 351 G HA3 -0.561 3.362 3.960 -0.062 0.000 0.267 351 G C -1.348 173.512 174.900 -0.065 0.000 0.975 351 G CA 0.264 45.298 45.100 -0.110 0.000 0.644 351 G HN 0.523 8.643 8.290 -0.283 0.000 0.537 352 K N 0.542 120.897 120.400 -0.074 0.000 2.207 352 K HA 0.254 4.551 4.320 -0.038 0.000 0.255 352 K C -1.272 175.276 176.600 -0.086 0.000 0.941 352 K CA -1.695 54.557 56.287 -0.058 0.000 0.825 352 K CB 1.794 34.267 32.500 -0.045 0.000 1.119 352 K HN -0.609 7.418 8.250 -0.087 0.170 0.430 353 Q N 4.767 124.531 119.800 -0.059 0.000 2.286 353 Q HA -0.094 4.338 4.340 -0.072 -0.135 0.267 353 Q C 0.382 176.310 176.000 -0.121 0.000 1.028 353 Q CA 1.243 57.005 55.803 -0.068 0.000 0.901 353 Q CB -0.043 28.681 28.738 -0.023 0.000 1.183 353 Q HN 0.584 8.832 8.270 -0.038 0.000 0.392 354 V N 1.060 120.849 119.914 -0.208 0.000 3.621 354 V HA 0.335 4.323 4.120 -0.219 0.000 0.263 354 V C -0.246 175.668 176.094 -0.301 0.000 1.272 354 V CA 0.011 62.125 62.300 -0.310 0.000 1.080 354 V CB 1.130 32.605 31.823 -0.580 0.000 0.816 354 V HN 0.554 8.609 8.190 -0.225 0.000 0.451 355 V N -0.041 119.740 119.914 -0.222 0.000 2.760 355 V HA 0.319 4.370 4.120 -0.115 0.000 0.309 355 V C -2.227 173.838 176.094 -0.049 0.000 1.077 355 V CA -1.201 61.021 62.300 -0.130 0.000 0.910 355 V CB 3.974 35.729 31.823 -0.114 0.000 1.008 355 V HN -0.655 7.420 8.190 -0.191 0.000 0.424 356 E N 5.890 126.078 120.200 -0.020 0.000 2.246 356 E HA 0.541 5.082 4.350 0.022 -0.178 0.266 356 E C -1.588 175.024 176.600 0.020 0.000 0.880 356 E CA -1.652 54.754 56.400 0.010 0.000 0.762 356 E CB 3.030 32.737 29.700 0.011 0.000 1.180 356 E HN 0.176 8.522 8.360 -0.022 0.000 0.416 357 K N 8.218 128.640 120.400 0.037 0.000 2.413 357 K HA 0.395 4.737 4.320 0.036 0.000 0.257 357 K C -2.012 174.618 176.600 0.050 0.000 0.946 357 K CA -0.868 55.444 56.287 0.043 0.000 0.823 357 K CB 2.441 34.971 32.500 0.051 0.000 1.109 357 K HN 0.507 8.785 8.250 0.047 0.000 0.427 358 V N 6.550 126.489 119.914 0.042 0.000 2.409 358 V HA 0.530 4.852 4.120 0.043 -0.176 0.291 358 V C -0.335 175.785 176.094 0.044 0.000 1.020 358 V CA -1.323 61.000 62.300 0.040 0.000 0.848 358 V CB 1.595 33.434 31.823 0.027 0.000 0.990 358 V HN 0.430 8.642 8.190 0.038 0.000 0.430 359 E N 7.763 127.994 120.200 0.051 0.000 2.336 359 E HA 0.514 4.896 4.350 0.053 0.000 0.267 359 E C -1.617 175.012 176.600 0.048 0.000 0.906 359 E CA -1.657 54.778 56.400 0.058 0.000 0.781 359 E CB 4.222 33.971 29.700 0.081 0.000 1.261 359 E HN 0.430 8.822 8.360 0.053 0.000 0.436 360 T N -1.256 113.328 114.554 0.050 0.000 2.908 360 T HA 0.742 5.288 4.350 0.033 -0.177 0.290 360 T C -0.705 174.037 174.700 0.070 0.000 1.034 360 T CA -2.211 59.916 62.100 0.044 0.000 1.010 360 T CB 2.092 70.978 68.868 0.030 0.000 1.068 360 T HN 0.087 8.359 8.240 0.053 0.000 0.481 361 E N 2.672 122.923 120.200 0.085 0.000 2.291 361 E HA 0.282 4.700 4.350 0.113 0.000 0.276 361 E C -1.759 174.944 176.600 0.172 0.000 0.896 361 E CA -0.735 55.747 56.400 0.137 0.000 0.774 361 E CB 3.598 33.419 29.700 0.201 0.000 1.227 361 E HN 0.249 8.650 8.360 0.068 0.000 0.413 362 R N 6.454 127.017 120.500 0.106 0.000 2.410 362 R HA 0.107 4.479 4.340 0.053 0.000 0.288 362 R C -0.421 175.826 176.300 -0.089 0.000 1.051 362 R CA -0.395 55.728 56.100 0.038 0.000 1.021 362 R CB 1.957 32.266 30.300 0.015 0.000 1.032 362 R HN 0.213 8.531 8.270 0.081 0.000 0.481 363 A N 3.759 126.377 122.820 -0.337 0.000 2.586 363 A HA -0.203 3.286 4.320 -1.386 0.000 0.231 363 A C -0.586 176.810 177.584 -0.313 0.000 1.055 363 A CA 0.922 52.499 52.037 -0.768 0.000 0.756 363 A CB 0.426 18.831 19.000 -0.992 0.000 0.988 363 A HN 0.163 8.131 8.150 -0.304 0.000 0.509 364 Q N 2.464 122.137 119.800 -0.212 0.000 2.310 364 Q HA 0.224 4.596 4.340 0.052 0.000 0.270 364 Q C -1.951 174.105 176.000 0.094 0.000 1.025 364 Q CA -1.412 54.389 55.803 -0.004 0.000 0.772 364 Q CB 2.743 31.460 28.738 -0.035 0.000 1.253 364 Q HN 0.051 8.110 8.270 -0.350 0.000 0.450 365 L N 6.188 127.520 121.223 0.181 0.000 2.416 365 L HA 0.366 4.800 4.340 -0.072 -0.137 0.272 365 L C -0.610 176.231 176.870 -0.048 0.000 1.161 365 L CA 0.565 55.434 54.840 0.047 0.000 0.845 365 L CB 0.760 42.873 42.059 0.090 0.000 1.119 365 L HN 0.300 8.650 8.230 0.200 0.000 0.464 366 E N 6.872 126.996 120.200 -0.128 0.000 2.506 366 E HA 0.018 4.330 4.350 -0.064 0.000 0.308 366 E C -1.841 174.699 176.600 -0.100 0.000 0.931 366 E CA -0.274 56.077 56.400 -0.083 0.000 0.800 366 E CB 2.274 31.946 29.700 -0.047 0.000 1.292 366 E HN 0.622 8.854 8.360 -0.214 0.000 0.401 367 D N 6.206 126.558 120.400 -0.079 0.000 2.740 367 D HA -0.271 4.332 4.640 -0.061 0.000 0.231 367 D C -0.364 175.879 176.300 -0.095 0.000 1.194 367 D CA 1.332 55.290 54.000 -0.070 0.000 0.673 367 D CB -1.757 39.016 40.800 -0.046 0.000 0.995 367 D HN 0.755 9.086 8.370 -0.065 0.000 0.411 368 G N -3.444 105.276 108.800 -0.134 0.000 2.184 368 G HA2 -0.420 3.444 3.960 -0.159 0.000 0.264 368 G HA3 -0.420 3.475 3.960 -0.108 0.000 0.264 368 G C -1.332 173.431 174.900 -0.228 0.000 0.975 368 G CA 0.087 45.094 45.100 -0.154 0.000 0.642 368 G HN 0.230 8.435 8.290 -0.141 0.000 0.536 369 R N -2.325 118.006 120.500 -0.281 0.000 2.906 369 R HA 0.327 4.387 4.340 -0.466 0.000 0.258 369 R C -2.747 173.265 176.300 -0.480 0.000 1.156 369 R CA -2.138 53.751 56.100 -0.352 0.000 0.996 369 R CB 1.967 32.207 30.300 -0.099 0.000 1.259 369 R HN -0.623 7.450 8.270 -0.237 0.055 0.462 370 F N -2.369 117.590 119.950 0.016 0.000 2.436 370 F HA 0.527 5.134 4.527 -0.128 -0.157 0.340 370 F C -0.104 175.612 175.800 -0.140 0.000 1.113 370 F CA -1.242 56.698 58.000 -0.100 0.000 1.022 370 F CB 1.825 40.764 39.000 -0.101 0.000 1.128 370 F HN 0.250 8.588 8.300 0.063 0.000 0.466 371 V N -3.588 116.261 119.914 -0.108 0.000 2.667 371 V HA 0.836 5.195 4.120 0.134 -0.158 0.308 371 V C -1.598 174.316 176.094 -0.301 0.000 1.048 371 V CA -2.703 59.564 62.300 -0.054 0.000 0.928 371 V CB 2.716 34.546 31.823 0.013 0.000 1.004 371 V HN 0.500 8.621 8.190 -0.114 0.000 0.444 372 Y N 2.738 123.134 120.300 0.160 0.000 2.338 372 Y HA 0.310 4.930 4.550 0.116 0.000 0.328 372 Y C -1.079 174.928 175.900 0.179 0.000 0.965 372 Y CA -1.754 56.442 58.100 0.161 0.000 1.208 372 Y CB 1.952 40.520 38.460 0.181 0.000 1.132 372 Y HN 0.596 9.164 8.280 0.480 0.000 0.469 373 R N 4.080 124.708 120.500 0.213 0.000 2.288 373 R HA 0.353 4.910 4.340 0.164 -0.119 0.326 373 R C -0.873 175.524 176.300 0.161 0.000 0.959 373 R CA -0.890 55.305 56.100 0.159 0.000 0.834 373 R CB 1.445 31.799 30.300 0.091 0.000 1.157 373 R HN 0.141 8.637 8.270 0.159 -0.131 0.470 374 L N 6.819 128.148 121.223 0.177 0.000 2.417 374 L HA 0.252 4.681 4.340 0.147 0.000 0.258 374 L C -1.739 175.209 176.870 0.130 0.000 1.088 374 L CA -0.683 54.255 54.840 0.162 0.000 0.975 374 L CB -0.262 41.920 42.059 0.205 0.000 1.341 374 L HN 0.596 8.937 8.230 0.185 0.000 0.431 375 L N 1.604 122.897 121.223 0.117 0.000 2.317 375 L HA 0.255 4.669 4.340 0.124 0.000 0.281 375 L C -0.250 176.717 176.870 0.161 0.000 1.024 375 L CA -0.781 54.131 54.840 0.121 0.000 0.810 375 L CB 0.730 42.839 42.059 0.084 0.000 1.240 375 L HN -0.084 8.212 8.230 0.110 0.000 0.427 376 R N -1.132 119.517 120.500 0.249 0.000 3.333 376 R HA -0.419 4.220 4.340 0.498 0.000 0.256 376 R C -0.641 175.834 176.300 0.291 0.000 1.010 376 R CA 0.773 57.099 56.100 0.377 0.000 0.680 376 R CB -2.636 27.888 30.300 0.373 0.000 1.102 376 R HN 0.394 8.829 8.270 0.275 0.000 0.440 377 S N 0.077 115.873 115.700 0.161 0.000 2.549 377 S HA 0.167 4.725 4.470 0.147 0.000 0.283 377 S C -1.165 173.469 174.600 0.056 0.000 1.320 377 S CA -1.828 56.442 58.200 0.117 0.000 1.058 377 S CB 1.089 64.331 63.200 0.071 0.000 0.882 377 S HN -0.344 8.042 8.310 0.127 0.000 0.498 381 E N 1.147 121.350 120.200 0.005 0.000 2.208 381 E HA -0.267 4.032 4.350 -0.084 0.000 0.193 381 E C 0.847 177.449 176.600 0.003 0.000 0.988 381 E CA 2.417 58.802 56.400 -0.025 0.000 0.828 381 E CB -0.032 29.665 29.700 -0.005 0.000 0.763 381 E HN 0.464 8.838 8.360 0.024 0.000 0.478 382 Y N -0.024 120.251 120.300 -0.042 0.000 2.081 382 Y HA -0.407 4.140 4.550 -0.004 0.000 0.280 382 Y C 0.680 176.563 175.900 -0.029 0.000 1.163 382 Y CA 3.423 61.510 58.100 -0.022 0.000 1.135 382 Y CB -0.152 38.298 38.460 -0.017 0.000 0.970 382 Y HN -0.013 8.376 8.280 0.203 0.012 0.498 383 L N -3.554 117.702 121.223 0.055 0.000 2.156 383 L HA -0.367 3.952 4.340 -0.035 0.000 0.208 383 L C 2.010 178.767 176.870 -0.188 0.000 1.095 383 L CA 2.548 57.358 54.840 -0.050 0.000 0.770 383 L CB -0.092 41.937 42.059 -0.050 0.000 0.914 383 L HN -0.568 7.736 8.230 0.124 0.000 0.439 384 V N 0.626 120.391 119.914 -0.248 0.000 2.358 384 V HA -0.626 3.141 4.120 -0.588 0.000 0.246 384 V C 1.842 177.784 176.094 -0.254 0.000 1.047 384 V CA 4.593 66.636 62.300 -0.429 0.000 1.035 384 V CB -0.350 31.160 31.823 -0.522 0.000 0.658 384 V HN -0.444 7.549 8.190 -0.195 0.080 0.452 385 N N -0.213 118.383 118.700 -0.173 0.000 2.142 385 N HA -0.282 4.417 4.740 -0.068 0.000 0.186 385 N C 2.056 177.483 175.510 -0.138 0.000 1.023 385 N CA 3.026 56.004 53.050 -0.120 0.000 0.852 385 N CB -0.316 38.097 38.487 -0.124 0.000 0.998 385 N HN -0.147 8.130 8.380 -0.171 0.000 0.424 386 F N 2.016 121.729 119.950 -0.396 0.000 2.126 386 F HA -0.325 3.952 4.527 -0.418 0.000 0.299 386 F C 1.366 176.956 175.800 -0.351 0.000 1.096 386 F CA 3.277 61.007 58.000 -0.449 0.000 1.255 386 F CB 0.072 38.691 39.000 -0.634 0.000 0.997 386 F HN -0.082 8.115 8.300 -0.172 0.000 0.479 387 L N -2.089 118.852 121.223 -0.469 0.000 2.046 387 L HA -0.542 3.399 4.340 -0.664 0.000 0.208 387 L C 2.222 178.885 176.870 -0.344 0.000 1.077 387 L CA 3.411 57.945 54.840 -0.510 0.000 0.747 387 L CB -0.651 41.122 42.059 -0.477 0.000 0.896 387 L HN -0.273 7.765 8.230 -0.319 0.000 0.432 388 H N -2.123 116.830 119.070 -0.194 0.000 2.421 388 H HA -0.270 4.256 4.556 -0.050 0.000 0.298 388 H C 2.151 177.363 175.328 -0.194 0.000 1.087 388 H CA 3.668 59.642 56.048 -0.124 0.000 1.330 388 H CB 0.134 29.840 29.762 -0.094 0.000 1.388 388 H HN -0.531 7.675 8.280 -0.123 0.000 0.526 389 K N -1.673 118.633 120.400 -0.158 0.000 2.076 389 K HA -0.145 4.309 4.320 -0.121 -0.207 0.204 389 K C 2.729 179.165 176.600 -0.273 0.000 1.051 389 K CA 2.446 58.620 56.287 -0.187 0.000 0.949 389 K CB 0.165 32.558 32.500 -0.178 0.000 0.726 389 K HN -0.634 7.493 8.250 -0.203 0.000 0.443 390 L N 0.308 121.247 121.223 -0.473 0.000 2.131 390 L HA -0.279 3.804 4.340 -0.427 0.000 0.210 390 L C 1.819 178.516 176.870 -0.288 0.000 1.092 390 L CA 2.528 57.077 54.840 -0.486 0.000 0.759 390 L CB -0.249 41.343 42.059 -0.779 0.000 0.903 390 L HN 0.036 7.898 8.230 -0.612 0.000 0.435 391 R N -2.770 117.578 120.500 -0.253 0.000 2.189 391 R HA -0.278 3.950 4.340 -0.186 0.000 0.223 391 R C 1.395 177.584 176.300 -0.184 0.000 1.092 391 R CA 1.707 57.678 56.100 -0.214 0.000 0.989 391 R CB -0.388 29.739 30.300 -0.289 0.000 0.876 391 R HN -0.389 7.701 8.270 -0.270 0.018 0.457 392 Q N -3.616 116.088 119.800 -0.160 0.000 2.297 392 Q HA -0.178 4.090 4.340 -0.121 0.000 0.204 392 Q C 0.463 176.392 176.000 -0.118 0.000 0.962 392 Q CA 0.734 56.462 55.803 -0.125 0.000 0.879 392 Q CB 0.282 28.959 28.738 -0.102 0.000 0.947 392 Q HN -0.457 7.542 8.270 -0.169 0.169 0.462 393 L N 0.157 121.301 121.223 -0.132 0.000 2.453 393 L HA -0.080 4.191 4.340 -0.114 0.000 0.272 393 L C -0.891 175.906 176.870 -0.122 0.000 1.182 393 L CA -1.348 53.416 54.840 -0.126 0.000 0.858 393 L CB -0.415 41.559 42.059 -0.141 0.000 1.120 393 L HN -0.812 7.296 8.230 -0.150 0.032 0.474 394 P HA -0.007 4.363 4.420 -0.084 0.000 0.231 394 P C -0.950 176.280 177.300 -0.116 0.000 1.168 394 P CA 0.483 63.523 63.100 -0.100 0.000 0.779 394 P CB 0.580 32.232 31.700 -0.080 0.000 0.844 395 E N -1.040 119.041 120.200 -0.198 0.000 2.293 395 E HA 0.199 4.476 4.350 -0.121 0.000 0.270 395 E C -0.412 176.051 176.600 -0.229 0.000 0.879 395 E CA -1.195 55.060 56.400 -0.241 0.000 0.756 395 E CB 1.617 30.990 29.700 -0.545 0.000 1.208 395 E HN -0.356 7.830 8.360 -0.231 0.035 0.428 396 R N 3.135 123.590 120.500 -0.074 0.000 2.096 396 R HA -0.207 4.131 4.340 -0.003 0.000 0.235 396 R C 0.258 176.582 176.300 0.039 0.000 1.127 396 R CA 2.107 58.213 56.100 0.011 0.000 0.968 396 R CB 0.338 30.693 30.300 0.092 0.000 0.861 396 R HN 0.540 8.799 8.270 -0.018 0.000 0.440 401 S N 1.694 117.480 115.700 0.144 0.000 2.359 401 S HA -0.259 4.295 4.470 0.140 0.000 0.224 401 S C 0.954 175.642 174.600 0.147 0.000 1.035 401 S CA 3.004 61.291 58.200 0.146 0.000 1.018 401 S CB 0.291 63.587 63.200 0.161 0.000 0.876 401 S HN -0.199 8.200 8.310 0.148 0.000 0.448 402 V N -0.405 119.603 119.914 0.156 0.000 2.379 402 V HA -0.294 3.982 4.120 0.260 0.000 0.245 402 V C 1.738 178.004 176.094 0.287 0.000 1.044 402 V CA 3.228 65.666 62.300 0.230 0.000 1.036 402 V CB -0.014 31.930 31.823 0.201 0.000 0.664 402 V HN -0.084 8.182 8.190 0.127 0.000 0.453 403 L N -1.697 119.660 121.223 0.223 0.000 2.291 403 L HA -0.304 4.243 4.340 0.346 0.000 0.214 403 L C 2.069 179.065 176.870 0.211 0.000 1.120 403 L CA 2.364 57.359 54.840 0.259 0.000 0.799 403 L CB -0.574 41.596 42.059 0.186 0.000 0.925 403 L HN -0.481 7.850 8.230 0.168 0.000 0.446 404 E N -0.572 119.702 120.200 0.123 0.000 2.187 404 E HA -0.347 4.035 4.350 0.052 0.000 0.199 404 E C 1.302 177.861 176.600 -0.068 0.000 1.004 404 E CA 2.815 59.240 56.400 0.042 0.000 0.813 404 E CB -0.205 29.513 29.700 0.031 0.000 0.736 404 E HN -0.305 8.111 8.360 0.126 0.019 0.468 405 N N -3.310 115.289 118.700 -0.168 0.000 2.398 405 N HA 0.016 4.426 4.740 -0.551 0.000 0.188 405 N C -1.308 173.769 175.510 -0.723 0.000 1.122 405 N CA 1.100 53.773 53.050 -0.629 0.000 0.866 405 N CB 1.021 38.623 38.487 -1.476 0.000 0.970 405 N HN -0.656 7.662 8.380 -0.060 0.026 0.462 406 F N -0.722 119.060 119.950 -0.281 0.000 2.507 406 F HA 0.745 5.302 4.527 -0.298 -0.209 0.325 406 F C -0.852 174.910 175.800 -0.064 0.000 1.116 406 F CA -1.093 56.761 58.000 -0.244 0.000 0.930 406 F CB 3.342 42.149 39.000 -0.322 0.000 1.146 406 F HN -0.245 7.990 8.300 0.143 0.151 0.447 407 T N -1.499 113.078 114.554 0.037 0.000 2.864 407 T HA 0.690 5.406 4.350 0.421 -0.113 0.299 407 T C -1.666 173.203 174.700 0.281 0.000 1.166 407 T CA -2.069 60.120 62.100 0.149 0.000 1.007 407 T CB 3.733 72.369 68.868 -0.386 0.000 1.219 407 T HN 0.384 8.580 8.240 -0.074 0.000 0.506 408 I N -0.082 120.816 120.570 0.547 0.000 2.608 408 I HA 0.716 5.301 4.170 0.387 -0.182 0.295 408 I C -2.467 174.043 176.117 0.654 0.000 1.049 408 I CA -1.516 60.101 61.300 0.529 0.000 1.063 408 I CB 4.694 42.994 38.000 0.499 0.000 1.248 408 I HN 0.054 8.661 8.210 0.661 0.000 0.424 409 L N 6.333 127.850 121.223 0.490 0.000 2.343 409 L HA 0.669 5.340 4.340 0.296 -0.154 0.278 409 L C -2.334 174.687 176.870 0.251 0.000 0.996 409 L CA -1.400 53.640 54.840 0.333 0.000 0.831 409 L CB 3.272 45.463 42.059 0.221 0.000 1.232 409 L HN 0.287 8.752 8.230 0.393 0.000 0.413 410 Q N 6.226 126.173 119.800 0.245 0.000 2.293 410 Q HA 0.836 5.499 4.340 0.188 -0.210 0.261 410 Q C -1.171 174.873 176.000 0.072 0.000 0.960 410 Q CA -1.571 54.354 55.803 0.203 0.000 0.882 410 Q CB 3.379 32.313 28.738 0.326 0.000 1.275 410 Q HN 0.786 9.198 8.270 0.237 0.000 0.445 411 V N 4.460 124.393 119.914 0.032 0.000 2.483 411 V HA 0.468 4.668 4.120 -0.100 -0.141 0.297 411 V C -1.857 174.194 176.094 -0.071 0.000 1.027 411 V CA -1.183 61.086 62.300 -0.051 0.000 0.855 411 V CB 2.600 34.396 31.823 -0.044 0.000 0.995 411 V HN 0.808 9.030 8.190 0.054 0.000 0.424 412 V N 8.623 128.455 119.914 -0.137 0.000 2.378 412 V HA 0.872 5.127 4.120 -0.170 -0.237 0.288 412 V C -0.658 175.317 176.094 -0.198 0.000 1.016 412 V CA -1.836 60.345 62.300 -0.198 0.000 0.840 412 V CB 2.114 33.731 31.823 -0.343 0.000 0.994 412 V HN 0.822 8.916 8.190 -0.161 0.000 0.431 413 T N 3.664 118.118 114.554 -0.166 0.000 2.908 413 T HA 0.628 5.028 4.350 -0.141 -0.134 0.290 413 T C -0.893 173.722 174.700 -0.143 0.000 1.034 413 T CA -2.647 59.370 62.100 -0.137 0.000 1.010 413 T CB 2.704 71.516 68.868 -0.094 0.000 1.068 413 T HN 0.550 8.698 8.240 -0.152 0.000 0.481 414 N N 2.725 121.352 118.700 -0.121 0.000 2.416 414 N HA -0.161 4.502 4.740 -0.129 0.000 0.271 414 N C 0.346 175.813 175.510 -0.072 0.000 1.245 414 N CA 0.058 53.046 53.050 -0.104 0.000 0.940 414 N CB 0.402 38.842 38.487 -0.078 0.000 1.175 414 N HN 0.223 8.537 8.380 -0.111 0.000 0.483 415 R N 7.508 127.968 120.500 -0.067 0.000 2.117 415 R HA -0.295 4.020 4.340 -0.042 0.000 0.243 415 R C 0.962 177.246 176.300 -0.026 0.000 1.143 415 R CA 2.668 58.743 56.100 -0.041 0.000 0.968 415 R CB -0.128 30.155 30.300 -0.029 0.000 0.863 415 R HN 0.273 8.495 8.270 -0.080 0.000 0.444 416 D N -3.138 117.248 120.400 -0.023 0.000 2.249 416 D HA 0.008 4.644 4.640 -0.008 0.000 0.205 416 D C 0.877 177.169 176.300 -0.014 0.000 0.962 416 D CA 2.373 56.366 54.000 -0.012 0.000 0.860 416 D CB 0.502 41.300 40.800 -0.003 0.000 0.955 416 D HN -0.399 8.144 8.370 -0.027 -0.189 0.505 417 T N -5.927 108.614 114.554 -0.021 0.000 3.023 417 T HA 0.135 4.477 4.350 -0.014 0.000 0.253 417 T C 0.650 175.336 174.700 -0.024 0.000 1.038 417 T CA -0.622 61.467 62.100 -0.019 0.000 0.962 417 T CB 1.524 70.380 68.868 -0.019 0.000 1.018 417 T HN -0.737 7.648 8.240 -0.028 -0.162 0.521 418 Q N -2.769 117.012 119.800 -0.031 0.000 2.439 418 Q HA -0.461 3.906 4.340 -0.041 -0.051 0.247 418 Q C -1.130 174.845 176.000 -0.041 0.000 0.899 418 Q CA 1.757 57.538 55.803 -0.035 0.000 1.201 418 Q CB -2.300 26.424 28.738 -0.025 0.000 1.608 418 Q HN -0.003 8.248 8.270 -0.033 0.000 0.563 419 E N -1.251 118.923 120.200 -0.044 0.000 2.376 419 E HA -0.154 4.172 4.350 -0.040 0.000 0.266 419 E C -0.377 176.179 176.600 -0.072 0.000 1.009 419 E CA -0.030 56.342 56.400 -0.047 0.000 0.902 419 E CB 0.741 30.418 29.700 -0.039 0.000 0.972 419 E HN -0.843 7.429 8.360 -0.041 0.064 0.439 420 L N 3.928 125.102 121.223 -0.082 0.000 2.410 420 L HA -0.207 4.054 4.340 -0.132 0.000 0.273 420 L C -1.106 175.679 176.870 -0.142 0.000 1.152 420 L CA 1.305 56.069 54.840 -0.128 0.000 0.855 420 L CB 0.303 42.272 42.059 -0.151 0.000 1.129 420 L HN 0.350 8.539 8.230 -0.068 0.000 0.463 421 L N 4.768 125.893 121.223 -0.164 0.000 2.362 421 L HA 0.088 4.367 4.340 -0.103 0.000 0.204 421 L C -0.489 176.290 176.870 -0.151 0.000 1.060 421 L CA 0.438 55.192 54.840 -0.143 0.000 0.827 421 L CB 1.389 43.345 42.059 -0.171 0.000 1.027 421 L HN 0.341 8.465 8.230 -0.178 0.000 0.474 422 L N -5.778 115.324 121.223 -0.201 0.000 2.513 422 L HA 0.407 4.811 4.340 -0.125 -0.139 0.261 422 L C -2.655 174.057 176.870 -0.262 0.000 0.945 422 L CA -0.934 53.808 54.840 -0.163 0.000 0.848 422 L CB 4.742 46.756 42.059 -0.075 0.000 1.334 422 L HN -0.502 7.596 8.230 -0.221 0.000 0.407 423 C N 4.346 123.424 119.300 -0.368 0.000 2.431 423 C HA 0.806 5.301 4.460 -0.251 -0.185 0.321 423 C C -1.856 173.028 174.990 -0.177 0.000 1.202 423 C CA -2.419 56.364 59.018 -0.391 0.000 1.398 423 C CB 2.361 29.574 27.740 -0.878 0.000 2.047 423 C HN 0.823 8.838 8.230 -0.358 0.000 0.465 424 T N 10.523 125.013 114.554 -0.106 0.000 2.841 424 T HA 0.512 4.986 4.350 -0.108 -0.189 0.285 424 T C -1.829 172.699 174.700 -0.286 0.000 0.991 424 T CA -0.710 61.276 62.100 -0.190 0.000 0.966 424 T CB 2.735 71.412 68.868 -0.318 0.000 0.962 424 T HN 0.849 9.044 8.240 -0.076 0.000 0.438 425 A N 6.317 128.969 122.820 -0.280 0.000 2.290 425 A HA 0.662 5.111 4.320 -0.012 -0.137 0.310 425 A C -2.057 175.397 177.584 -0.217 0.000 1.202 425 A CA -2.042 49.912 52.037 -0.138 0.000 0.837 425 A CB 2.339 21.270 19.000 -0.115 0.000 1.139 425 A HN 0.782 8.801 8.150 -0.219 0.000 0.509 426 Y N 2.423 122.831 120.300 0.181 0.000 2.364 426 Y HA 0.783 5.424 4.550 -0.163 -0.188 0.340 426 Y C -0.131 175.727 175.900 -0.070 0.000 0.975 426 Y CA -1.361 56.718 58.100 -0.036 0.000 1.089 426 Y CB 2.718 41.194 38.460 0.027 0.000 1.192 426 Y HN 0.393 8.966 8.280 0.487 0.000 0.454 427 V N -5.110 114.692 119.914 -0.187 0.000 3.074 427 V HA 0.586 4.797 4.120 0.152 0.000 0.314 427 V C -2.436 173.416 176.094 -0.403 0.000 1.117 427 V CA -2.950 59.286 62.300 -0.108 0.000 1.014 427 V CB 3.674 35.483 31.823 -0.023 0.000 1.057 427 V HN 0.275 8.305 8.190 -0.266 0.000 0.438 428 F N -1.537 118.432 119.950 0.031 0.000 2.596 428 F HA 0.738 5.456 4.527 0.020 -0.178 0.311 428 F C -1.108 174.646 175.800 -0.076 0.000 1.116 428 F CA -0.945 57.065 58.000 0.016 0.000 0.957 428 F CB 4.113 43.176 39.000 0.105 0.000 1.250 428 F HN 0.369 8.796 8.300 0.211 0.000 0.444 429 E N -0.597 119.599 120.200 -0.006 0.000 2.423 429 E HA 0.532 5.013 4.350 0.101 -0.071 0.269 429 E C -1.946 174.738 176.600 0.140 0.000 0.948 429 E CA -2.130 54.279 56.400 0.015 0.000 0.802 429 E CB 5.087 34.718 29.700 -0.116 0.000 1.339 429 E HN 0.362 8.647 8.360 -0.126 0.000 0.445 430 V N -0.289 119.752 119.914 0.212 0.000 2.483 430 V HA 0.201 4.585 4.120 0.260 -0.109 0.295 430 V C -1.270 175.030 176.094 0.344 0.000 1.035 430 V CA -1.165 61.285 62.300 0.249 0.000 0.896 430 V CB 2.322 34.246 31.823 0.168 0.000 0.986 430 V HN 0.409 9.066 8.190 0.207 -0.342 0.447 431 S N 5.291 121.212 115.700 0.368 0.000 2.617 431 S HA 0.169 4.880 4.470 0.402 0.000 0.269 431 S C -0.105 174.632 174.600 0.229 0.000 1.292 431 S CA -0.762 57.644 58.200 0.344 0.000 1.010 431 S CB 1.094 64.482 63.200 0.313 0.000 0.944 431 S HN 0.192 8.714 8.310 0.354 0.000 0.536 432 T N -1.216 113.445 114.554 0.178 0.000 2.795 432 T HA 0.050 4.478 4.350 0.131 0.000 0.314 432 T C -0.081 174.691 174.700 0.120 0.000 1.069 432 T CA -0.464 61.715 62.100 0.131 0.000 1.071 432 T CB 0.875 69.802 68.868 0.099 0.000 0.988 432 T HN -0.129 8.212 8.240 0.169 0.000 0.543 433 S N -0.794 114.964 115.700 0.097 0.000 2.547 433 S HA -0.139 4.395 4.470 0.106 0.000 0.235 433 S C 0.571 175.219 174.600 0.080 0.000 0.980 433 S CA 1.523 59.777 58.200 0.089 0.000 0.941 433 S CB -0.102 63.136 63.200 0.063 0.000 0.763 433 S HN 0.331 8.693 8.310 0.087 0.000 0.532 434 E N 1.104 121.348 120.200 0.073 0.000 2.256 434 E HA 0.011 4.396 4.350 0.058 0.000 0.198 434 E C 0.245 176.881 176.600 0.059 0.000 0.908 434 E CA 0.137 56.572 56.400 0.059 0.000 0.915 434 E CB 0.591 30.318 29.700 0.044 0.000 0.890 434 E HN -0.607 7.734 8.360 0.074 0.064 0.484 435 R N 1.845 122.381 120.500 0.060 0.000 2.401 435 R HA 0.002 4.364 4.340 0.037 0.000 0.299 435 R C 0.731 177.082 176.300 0.084 0.000 1.064 435 R CA -0.136 55.995 56.100 0.052 0.000 1.000 435 R CB 0.369 30.686 30.300 0.028 0.000 0.973 435 R HN -0.637 7.670 8.270 0.062 0.000 0.438 436 G N 1.627 110.473 108.800 0.077 0.000 2.712 436 G HA2 -0.115 3.916 3.960 0.119 0.000 0.258 436 G HA3 -0.115 3.900 3.960 0.092 0.000 0.258 436 G C -1.217 173.773 174.900 0.150 0.000 1.241 436 G CA -1.016 44.148 45.100 0.107 0.000 0.923 436 G HN 0.316 8.640 8.290 0.058 0.000 0.548 437 A N -1.327 121.603 122.820 0.183 0.000 2.547 437 A HA 0.041 4.784 4.320 0.324 -0.229 0.233 437 A C -0.281 177.459 177.584 0.259 0.000 1.067 437 A CA 1.076 53.270 52.037 0.262 0.000 0.763 437 A CB 0.577 19.722 19.000 0.242 0.000 1.007 437 A HN 0.300 8.547 8.150 0.161 0.000 0.506 438 Q N 0.291 120.318 119.800 0.378 0.000 2.522 438 Q HA 0.260 4.691 4.340 0.151 0.000 0.285 438 Q C -2.365 173.904 176.000 0.449 0.000 0.982 438 Q CA -1.044 54.905 55.803 0.244 0.000 0.805 438 Q CB 4.149 32.881 28.738 -0.011 0.000 1.457 438 Q HN 0.047 8.625 8.270 0.514 0.000 0.394 439 H N -1.967 117.160 119.070 0.096 0.000 2.985 439 H HA 1.072 5.908 4.556 0.184 -0.170 0.360 439 H C -1.203 173.981 175.328 -0.241 0.000 1.221 439 H CA -2.047 54.011 56.048 0.017 0.000 1.121 439 H CB 3.417 33.102 29.762 -0.129 0.000 1.854 439 H HN 0.377 8.428 8.280 -0.383 0.000 0.551 440 H N -1.032 118.098 119.070 0.100 0.000 2.771 440 H HA 0.226 4.640 4.556 -0.236 0.000 0.361 440 H C -1.774 173.381 175.328 -0.289 0.000 1.108 440 H CA -1.097 54.862 56.048 -0.149 0.000 1.201 440 H CB 3.734 33.432 29.762 -0.107 0.000 1.681 440 H HN 0.156 8.524 8.280 0.146 0.000 0.534 441 I N 1.243 121.666 120.570 -0.245 0.000 2.412 441 I HA 0.218 4.455 4.170 -0.112 -0.134 0.296 441 I C -1.551 174.343 176.117 -0.373 0.000 0.987 441 I CA -0.689 60.490 61.300 -0.201 0.000 1.180 441 I CB 2.001 39.954 38.000 -0.079 0.000 1.340 441 I HN 0.142 8.224 8.210 -0.212 0.000 0.455 442 Y N 3.313 123.686 120.300 0.121 0.000 2.499 442 Y HA 0.440 5.188 4.550 0.107 -0.134 0.347 442 Y C -0.509 175.497 175.900 0.176 0.000 0.987 442 Y CA -2.077 56.093 58.100 0.115 0.000 1.044 442 Y CB 3.689 42.179 38.460 0.050 0.000 1.245 442 Y HN 0.623 9.042 8.280 0.231 0.000 0.461 443 R N 0.840 121.500 120.500 0.267 0.000 2.438 443 R HA 0.077 4.368 4.340 -0.082 0.000 0.287 443 R C -1.221 175.088 176.300 0.015 0.000 1.077 443 R CA 0.051 56.184 56.100 0.056 0.000 1.034 443 R CB 1.189 31.506 30.300 0.029 0.000 0.993 443 R HN 0.291 8.711 8.270 0.250 0.000 0.459 444 L N 4.006 125.189 121.223 -0.067 0.000 2.281 444 L HA 0.381 4.850 4.340 -0.073 -0.173 0.285 444 L C -0.551 176.304 176.870 -0.025 0.000 1.074 444 L CA -0.360 54.448 54.840 -0.054 0.000 0.817 444 L CB 0.442 42.480 42.059 -0.034 0.000 1.168 444 L HN -0.298 7.835 8.230 -0.162 0.000 0.434 445 V N -3.158 116.707 119.914 -0.081 0.000 3.145 445 V HA 0.855 5.038 4.120 0.106 0.000 0.311 445 V C -2.142 173.873 176.094 -0.132 0.000 1.238 445 V CA -3.851 58.438 62.300 -0.019 0.000 1.066 445 V CB 3.390 35.208 31.823 -0.009 0.000 1.144 445 V HN 0.567 8.685 8.190 -0.121 0.000 0.465 446 R N 0.000 120.477 120.500 -0.038 0.000 2.786 446 R HA 0.000 4.473 4.340 -0.149 -0.222 0.208 446 R CA 0.000 56.050 56.100 -0.083 0.000 0.921 446 R CB 0.000 30.256 30.300 -0.074 0.000 0.687 446 R HN 0.000 8.287 8.270 0.029 0.000 0.535