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 3jws_1_B DATA FIRST_RESID 299 DATA SEQUENCE RFLKVKNWET DVVLTDTLHL KSTLETGCTE HICMGSIMLP XXXXXXXXXV DATA SEQUENCE ATKDQLFPLA KEFLDQYYSS IKRFGSKAHM DRLEEVNKEI ESTSTYQLKD DATA SEQUENCE TELIYGAKHA WRNASRCVGR IQWSKLQVFD ARDCTTAHGM FNYICNHVKY DATA SEQUENCE ATNKGNLRSA ITIFPQRTDG KHDFRVWNSQ LIRYAGYKQP DGSTLGDPAN DATA SEQUENCE VQFTEICIQQ GWKAPRGRFD VLPLLLQANG NDPELFQIPP ELVLEVPIRH DATA SEQUENCE PKFDWFKDLG LKWYGLPAVS NMLLEIGGLE FSACPFSGWY MGTEIGVRDY DATA SEQUENCE CDNSRYNILE EVAKKMDLDM RKTSSLWKDQ ALVEINIAVL YSFQSDKVTI DATA SEQUENCE VDHHSATESF IKHMENEYRC RGGCPADWVW IVPPMSGSIT PVFHQEMLNY DATA SEQUENCE RLTPSFEYQP DPWNTHVWKG 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 299 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 299 R C 0.000 176.257 176.300 -0.071 0.000 0.893 299 R CA 0.000 56.120 56.100 0.033 0.000 0.921 299 R CB 0.000 30.350 30.300 0.084 0.000 0.687 300 F N 4.057 124.066 119.950 0.099 0.000 2.467 300 F HA 0.529 5.059 4.527 0.004 0.000 0.336 300 F C -0.215 175.644 175.800 0.098 0.000 1.123 300 F CA -0.772 57.298 58.000 0.117 0.000 0.964 300 F CB 1.951 40.986 39.000 0.058 0.000 1.136 300 F HN 0.220 8.520 8.300 -0.000 0.000 0.447 301 L N 4.259 125.625 121.223 0.239 0.000 2.329 301 L HA 0.527 4.869 4.340 0.004 0.000 0.279 301 L C -0.375 176.582 176.870 0.145 0.000 1.014 301 L CA -0.863 54.040 54.840 0.104 0.000 0.814 301 L CB 1.757 43.761 42.059 -0.093 0.000 1.257 301 L HN 0.523 8.753 8.230 -0.000 0.000 0.424 302 K N 2.695 123.152 120.400 0.096 0.000 2.138 302 K HA 0.658 4.980 4.320 0.004 0.000 0.263 302 K C -0.898 175.727 176.600 0.041 0.000 0.965 302 K CA -0.746 55.581 56.287 0.066 0.000 0.868 302 K CB 2.429 34.945 32.500 0.026 0.000 1.083 302 K HN 0.408 8.658 8.250 -0.000 0.000 0.443 303 V N -0.842 119.068 119.914 -0.006 0.000 2.656 303 V HA 0.534 4.656 4.120 0.004 0.000 0.307 303 V C -0.707 175.323 176.094 -0.108 0.000 1.051 303 V CA -1.008 61.277 62.300 -0.025 0.000 0.893 303 V CB 1.586 33.404 31.823 -0.007 0.000 0.999 303 V HN 0.751 8.941 8.190 -0.000 0.000 0.426 304 K N 3.313 123.646 120.400 -0.112 0.000 2.221 304 K HA 0.426 4.749 4.320 0.004 0.000 0.258 304 K C -0.678 175.806 176.600 -0.194 0.000 0.944 304 K CA -0.674 55.452 56.287 -0.268 0.000 0.823 304 K CB 1.617 33.785 32.500 -0.553 0.000 1.113 304 K HN 0.907 9.157 8.250 -0.000 0.000 0.431 305 N N 3.793 122.393 118.700 -0.166 0.000 2.419 305 N HA 0.069 4.812 4.740 0.004 0.000 0.264 305 N C -0.252 175.226 175.510 -0.053 0.000 1.031 305 N CA -0.199 52.851 53.050 -0.000 0.000 0.951 305 N CB 0.497 39.006 38.487 0.037 0.000 1.101 305 N HN 0.664 9.044 8.380 -0.000 0.000 0.488 306 W N 2.099 123.478 121.300 0.132 0.000 3.047 306 W HA 0.146 4.808 4.660 0.003 0.000 0.250 306 W C 2.009 178.584 176.519 0.093 0.000 1.314 306 W CA -0.186 57.230 57.345 0.119 0.000 1.540 306 W CB 0.411 29.963 29.460 0.154 0.000 1.127 306 W HN 0.671 8.851 8.180 -0.000 0.000 0.679 307 E N -0.419 119.920 120.200 0.232 0.000 2.166 307 E HA -0.105 4.247 4.350 0.004 0.000 0.192 307 E C 2.006 178.625 176.600 0.033 0.000 0.967 307 E CA 1.688 58.125 56.400 0.062 0.000 0.840 307 E CB 0.169 29.833 29.700 -0.060 0.000 0.795 307 E HN 0.149 8.509 8.360 -0.000 0.000 0.470 308 T N -3.017 111.553 114.554 0.026 0.000 3.010 308 T HA 0.132 4.485 4.350 0.004 0.000 0.257 308 T C 0.219 174.894 174.700 -0.041 0.000 1.020 308 T CA 0.316 62.412 62.100 -0.006 0.000 0.938 308 T CB 0.342 69.209 68.868 -0.003 0.000 1.049 308 T HN -0.002 8.238 8.240 -0.000 0.000 0.522 309 D N 0.259 120.612 120.400 -0.079 0.000 3.046 309 D HA -0.125 4.517 4.640 0.004 0.000 0.210 309 D C -0.069 176.140 176.300 -0.152 0.000 1.124 309 D CA 0.579 54.487 54.000 -0.153 0.000 0.986 309 D CB -2.043 38.689 40.800 -0.114 0.000 1.118 309 D HN 0.467 8.837 8.370 -0.000 0.000 0.416 310 V N 1.063 120.908 119.914 -0.115 0.000 2.529 310 V HA 0.128 4.250 4.120 0.004 0.000 0.292 310 V C 0.936 176.940 176.094 -0.150 0.000 1.028 310 V CA -0.015 62.219 62.300 -0.110 0.000 1.074 310 V CB 1.453 33.227 31.823 -0.082 0.000 0.958 310 V HN -0.039 8.150 8.190 -0.000 0.000 0.481 311 V N 7.291 127.119 119.914 -0.142 0.000 2.417 311 V HA 0.516 4.639 4.120 0.004 0.000 0.291 311 V C -0.053 175.959 176.094 -0.137 0.000 1.024 311 V CA -0.473 61.737 62.300 -0.151 0.000 0.861 311 V CB 1.557 33.300 31.823 -0.133 0.000 0.985 311 V HN 0.632 8.822 8.190 -0.000 0.000 0.436 312 L N 3.452 124.563 121.223 -0.187 0.000 2.333 312 L HA 0.728 5.070 4.340 0.004 0.000 0.269 312 L C -0.051 176.795 176.870 -0.040 0.000 1.010 312 L CA -0.449 54.261 54.840 -0.216 0.000 0.818 312 L CB 2.457 44.123 42.059 -0.655 0.000 1.306 312 L HN 0.529 8.759 8.230 -0.000 0.000 0.430 313 T N -0.146 114.509 114.554 0.169 0.000 2.786 313 T HA 0.240 4.592 4.350 0.004 0.000 0.283 313 T C -0.990 173.971 174.700 0.435 0.000 0.992 313 T CA -0.490 61.780 62.100 0.284 0.000 0.954 313 T CB 1.436 70.452 68.868 0.247 0.000 0.934 313 T HN 0.436 8.676 8.240 -0.000 0.000 0.440 314 D N 2.166 122.805 120.400 0.398 0.000 2.280 314 D HA 0.280 4.922 4.640 0.004 0.000 0.236 314 D C 0.805 177.203 176.300 0.163 0.000 1.082 314 D CA -0.334 53.836 54.000 0.283 0.000 0.834 314 D CB 1.724 42.726 40.800 0.337 0.000 1.100 314 D HN 0.640 9.010 8.370 -0.000 0.000 0.486 315 T N 0.909 115.424 114.554 -0.066 0.000 2.955 315 T HA -0.037 4.315 4.350 0.004 0.000 0.251 315 T C 1.880 176.301 174.700 -0.465 0.000 1.002 315 T CA -0.213 61.665 62.100 -0.369 0.000 0.970 315 T CB 0.022 68.655 68.868 -0.392 0.000 1.091 315 T HN 0.243 8.483 8.240 -0.000 0.000 0.495 316 L N 3.230 124.282 121.223 -0.285 0.000 2.127 316 L HA -0.124 4.219 4.340 0.004 0.000 0.211 316 L C 2.606 179.225 176.870 -0.418 0.000 1.089 316 L CA 2.036 56.721 54.840 -0.258 0.000 0.757 316 L CB -0.923 41.070 42.059 -0.110 0.000 0.899 316 L HN 0.602 8.832 8.230 -0.000 0.000 0.434 317 H N -1.120 117.542 119.070 -0.681 0.000 2.489 317 H HA -0.173 4.385 4.556 0.004 0.000 0.295 317 H C 1.936 176.941 175.328 -0.539 0.000 1.082 317 H CA 1.623 56.991 56.048 -1.133 0.000 1.295 317 H CB -0.757 28.334 29.762 -1.118 0.000 1.380 317 H HN 0.457 8.737 8.280 -0.000 0.000 0.548 318 L N 0.631 121.292 121.223 -0.937 0.000 2.191 318 L HA -0.108 4.234 4.340 0.004 0.000 0.212 318 L C 2.367 179.049 176.870 -0.314 0.000 1.103 318 L CA 0.978 55.469 54.840 -0.581 0.000 0.769 318 L CB -0.265 41.446 42.059 -0.581 0.000 0.908 318 L HN 0.130 8.360 8.230 -0.000 0.000 0.438 319 K N -0.170 120.065 120.400 -0.275 0.000 2.432 319 K HA 0.032 4.354 4.320 0.004 0.000 0.196 319 K C 1.025 177.572 176.600 -0.088 0.000 1.038 319 K CA 0.132 56.328 56.287 -0.151 0.000 0.986 319 K CB 0.033 32.462 32.500 -0.117 0.000 0.782 319 K HN 0.141 8.391 8.250 -0.000 0.000 0.485 320 S N 1.109 116.749 115.700 -0.100 0.000 2.510 320 S HA 0.056 4.528 4.470 0.004 0.000 0.279 320 S C 0.959 175.555 174.600 -0.007 0.000 1.284 320 S CA -0.259 57.935 58.200 -0.009 0.000 1.059 320 S CB 0.792 64.007 63.200 0.026 0.000 0.901 320 S HN 0.242 8.552 8.310 -0.000 0.000 0.491 321 T N 5.560 120.122 114.554 0.015 0.000 3.004 321 T HA 0.235 4.588 4.350 0.004 0.000 0.243 321 T C 0.726 175.437 174.700 0.019 0.000 1.020 321 T CA 0.201 62.306 62.100 0.009 0.000 1.145 321 T CB -0.209 68.665 68.868 0.011 0.000 0.876 321 T HN 0.496 8.736 8.240 -0.000 0.000 0.449 322 L N 1.179 122.420 121.223 0.030 0.000 2.454 322 L HA 0.421 4.763 4.340 0.004 0.000 0.256 322 L C 0.313 177.206 176.870 0.039 0.000 1.136 322 L CA -0.717 54.141 54.840 0.030 0.000 0.804 322 L CB 0.550 42.624 42.059 0.026 0.000 1.181 322 L HN 0.115 8.345 8.230 -0.000 0.000 0.469 323 E N -0.874 119.347 120.200 0.035 0.000 2.242 323 E HA 0.165 4.518 4.350 0.004 0.000 0.275 323 E C 0.280 176.906 176.600 0.043 0.000 1.002 323 E CA -0.070 56.354 56.400 0.039 0.000 0.841 323 E CB 1.581 31.300 29.700 0.032 0.000 1.109 323 E HN 0.715 9.075 8.360 -0.000 0.000 0.394 324 T N -1.000 113.583 114.554 0.049 0.000 3.009 324 T HA 0.192 4.544 4.350 0.004 0.000 0.258 324 T C 1.404 176.131 174.700 0.045 0.000 1.063 324 T CA 0.525 62.656 62.100 0.051 0.000 1.139 324 T CB 0.163 69.068 68.868 0.061 0.000 0.890 324 T HN 0.755 8.995 8.240 -0.000 0.000 0.471 325 G N 0.335 109.161 108.800 0.042 0.000 2.259 325 G HA2 -0.216 3.746 3.960 0.004 0.000 0.217 325 G HA3 -0.216 3.746 3.960 0.004 0.000 0.217 325 G C 0.331 175.255 174.900 0.040 0.000 1.001 325 G CA -0.253 44.872 45.100 0.040 0.000 0.627 325 G HN 0.755 9.045 8.290 -0.000 0.000 0.501 326 C N 1.881 121.205 119.300 0.040 0.000 2.580 326 C HA 0.816 5.279 4.460 0.004 0.000 0.371 326 C C 1.160 176.169 174.990 0.033 0.000 1.308 326 C CA 0.674 59.713 59.018 0.035 0.000 2.428 326 C CB 0.783 28.541 27.740 0.031 0.000 2.529 326 C HN 1.003 9.233 8.230 -0.000 0.000 0.657 327 T N -1.536 113.037 114.554 0.032 0.000 2.831 327 T HA 0.390 4.742 4.350 0.004 0.000 0.287 327 T C 0.325 175.013 174.700 -0.018 0.000 1.070 327 T CA -0.496 61.621 62.100 0.027 0.000 1.010 327 T CB 0.965 69.877 68.868 0.073 0.000 1.264 327 T HN 0.500 8.740 8.240 -0.000 0.000 0.532 328 E N -0.353 119.795 120.200 -0.086 0.000 2.333 328 E HA -0.014 4.338 4.350 0.004 0.000 0.198 328 E C 1.071 177.450 176.600 -0.368 0.000 1.007 328 E CA 1.373 57.622 56.400 -0.252 0.000 0.845 328 E CB -0.328 29.144 29.700 -0.379 0.000 0.766 328 E HN 0.768 9.128 8.360 -0.000 0.000 0.507 329 H N -1.668 117.406 119.070 0.007 0.000 2.874 329 H HA 0.433 4.991 4.556 0.004 0.000 0.264 329 H C -0.143 175.188 175.328 0.005 0.000 1.007 329 H CA -0.154 55.898 56.048 0.005 0.000 1.207 329 H CB 1.273 31.038 29.762 0.006 0.000 1.487 329 H HN -0.002 8.278 8.280 -0.000 0.000 0.505 330 I N 0.233 120.858 120.570 0.091 0.000 2.752 330 I HA 0.305 4.477 4.170 0.004 0.000 0.295 330 I C -1.453 174.685 176.117 0.035 0.000 1.219 330 I CA -1.059 60.276 61.300 0.060 0.000 1.030 330 I CB 1.743 39.781 38.000 0.063 0.000 1.259 330 I HN 0.111 8.321 8.210 -0.000 0.000 0.423 331 C N 7.770 127.085 119.300 0.026 0.000 2.322 331 C HA 0.566 5.028 4.460 0.004 0.000 0.324 331 C C 0.571 175.580 174.990 0.031 0.000 1.284 331 C CA -0.544 58.487 59.018 0.022 0.000 1.606 331 C CB 0.639 28.383 27.740 0.007 0.000 2.251 331 C HN 0.843 9.073 8.230 -0.000 0.000 0.502 332 M N 4.864 124.487 119.600 0.039 0.000 2.673 332 M HA 0.203 4.685 4.480 0.004 0.000 0.334 332 M C 1.693 178.031 176.300 0.063 0.000 1.211 332 M CA 0.029 55.358 55.300 0.048 0.000 0.962 332 M CB 0.172 32.801 32.600 0.047 0.000 1.343 332 M HN 0.997 9.287 8.290 -0.000 0.000 0.511 333 G N 0.965 109.802 108.800 0.062 0.000 2.498 333 G HA2 -0.165 3.797 3.960 0.004 0.000 0.219 333 G HA3 -0.165 3.797 3.960 0.004 0.000 0.219 333 G C 1.386 176.363 174.900 0.129 0.000 1.119 333 G CA 1.249 46.401 45.100 0.087 0.000 0.766 333 G HN 0.577 8.867 8.290 -0.000 0.000 0.552 334 S N -0.362 115.404 115.700 0.111 0.000 2.539 334 S HA 0.347 4.819 4.470 0.004 0.000 0.221 334 S C 0.637 175.318 174.600 0.134 0.000 0.987 334 S CA -0.609 57.674 58.200 0.137 0.000 0.929 334 S CB 0.172 63.431 63.200 0.099 0.000 0.832 334 S HN -0.009 8.301 8.310 -0.000 0.000 0.492 335 I N 2.539 123.176 120.570 0.112 0.000 2.533 335 I HA 0.199 4.371 4.170 0.004 0.000 0.284 335 I C 1.522 177.717 176.117 0.130 0.000 1.109 335 I CA -0.022 61.336 61.300 0.097 0.000 1.412 335 I CB 0.278 38.319 38.000 0.067 0.000 1.396 335 I HN 0.319 8.529 8.210 -0.000 0.000 0.543 336 M N 5.868 125.548 119.600 0.132 0.000 2.086 336 M HA -0.065 4.417 4.480 0.004 0.000 0.261 336 M C 0.515 176.841 176.300 0.044 0.000 1.067 336 M CA 1.989 57.384 55.300 0.159 0.000 1.116 336 M CB 0.197 32.867 32.600 0.117 0.000 1.348 336 M HN 0.453 8.743 8.290 -0.000 0.000 0.407 337 L N 0.832 122.058 121.223 0.005 0.000 2.457 337 L HA 0.364 4.706 4.340 0.004 0.000 0.252 337 L C -2.026 174.859 176.870 0.026 0.000 1.132 337 L CA -1.913 52.918 54.840 -0.014 0.000 0.938 337 L CB 0.645 42.659 42.059 -0.074 0.000 1.246 337 L HN 0.131 8.361 8.230 -0.000 0.000 0.476 349 A N 3.772 126.593 122.820 0.002 0.000 2.455 349 A HA 0.944 5.266 4.320 0.004 0.000 0.300 349 A C -0.182 177.413 177.584 0.018 0.000 1.040 349 A CA 0.017 52.058 52.037 0.008 0.000 0.697 349 A CB 1.973 20.975 19.000 0.003 0.000 1.265 349 A HN 1.617 9.767 8.150 -0.000 0.000 0.407 350 T N -0.287 114.281 114.554 0.023 0.000 2.824 350 T HA 0.361 4.713 4.350 0.004 0.000 0.277 350 T C 0.966 175.691 174.700 0.042 0.000 0.975 350 T CA -0.280 61.837 62.100 0.028 0.000 0.966 350 T CB 0.725 69.608 68.868 0.024 0.000 1.054 350 T HN 0.610 8.850 8.240 -0.000 0.000 0.533 351 K N 0.271 120.695 120.400 0.041 0.000 2.057 351 K HA -0.147 4.175 4.320 0.004 0.000 0.207 351 K C 2.010 178.648 176.600 0.063 0.000 1.049 351 K CA 1.301 57.620 56.287 0.053 0.000 0.931 351 K CB -0.363 32.157 32.500 0.033 0.000 0.714 351 K HN 0.672 8.922 8.250 -0.000 0.000 0.440 352 D N 1.913 122.341 120.400 0.046 0.000 2.355 352 D HA -0.266 4.376 4.640 0.004 0.000 0.192 352 D C 1.966 178.303 176.300 0.062 0.000 1.014 352 D CA 2.265 56.293 54.000 0.047 0.000 0.862 352 D CB 0.003 40.822 40.800 0.033 0.000 0.986 352 D HN 0.428 8.798 8.370 -0.000 0.000 0.456 353 Q N -0.329 119.503 119.800 0.053 0.000 2.297 353 Q HA -0.089 4.254 4.340 0.004 0.000 0.204 353 Q C 2.419 178.458 176.000 0.065 0.000 0.962 353 Q CA 0.392 56.225 55.803 0.050 0.000 0.879 353 Q CB -0.231 28.528 28.738 0.035 0.000 0.947 353 Q HN 0.279 8.549 8.270 -0.000 0.000 0.462 354 L N 0.450 121.727 121.223 0.089 0.000 2.005 354 L HA -0.052 4.290 4.340 0.004 0.000 0.207 354 L C 2.155 179.103 176.870 0.129 0.000 1.072 354 L CA 1.522 56.432 54.840 0.117 0.000 0.744 354 L CB -0.767 41.379 42.059 0.146 0.000 0.895 354 L HN 0.158 8.388 8.230 -0.000 0.000 0.433 355 F N 1.564 121.511 119.950 -0.005 0.000 2.126 355 F HA -0.112 4.417 4.527 0.004 0.000 0.299 355 F C -0.566 175.223 175.800 -0.019 0.000 1.096 355 F CA 1.479 59.454 58.000 -0.042 0.000 1.255 355 F CB -1.698 37.271 39.000 -0.052 0.000 0.997 355 F HN 0.183 8.483 8.300 -0.000 0.000 0.479 356 P HA -0.198 4.222 4.420 -0.000 0.000 0.215 356 P C 2.185 179.401 177.300 -0.139 0.000 1.153 356 P CA 1.758 64.767 63.100 -0.152 0.000 0.853 356 P CB -0.236 31.449 31.700 -0.025 0.000 0.788 357 L N -0.791 120.398 121.223 -0.057 0.000 2.056 357 L HA -0.122 4.220 4.340 0.004 0.000 0.207 357 L C 2.748 179.630 176.870 0.021 0.000 1.078 357 L CA 1.560 56.402 54.840 0.003 0.000 0.749 357 L CB -1.204 40.879 42.059 0.039 0.000 0.901 357 L HN -0.058 8.172 8.230 -0.000 0.000 0.433 358 A N 0.305 123.090 122.820 -0.058 0.000 1.873 358 A HA -0.250 4.072 4.320 0.004 0.000 0.215 358 A C 2.382 179.879 177.584 -0.145 0.000 1.186 358 A CA 1.949 53.944 52.037 -0.069 0.000 0.616 358 A CB -0.445 18.332 19.000 -0.371 0.000 0.823 358 A HN 0.323 8.473 8.150 -0.000 0.000 0.442 359 K N -0.073 120.044 120.400 -0.472 0.000 2.009 359 K HA -0.250 4.072 4.320 0.004 0.000 0.210 359 K C 2.092 178.627 176.600 -0.108 0.000 1.049 359 K CA 1.945 57.984 56.287 -0.413 0.000 0.929 359 K CB -0.247 31.864 32.500 -0.649 0.000 0.714 359 K HN 0.608 8.858 8.250 -0.000 0.000 0.440 360 E N -0.426 119.738 120.200 -0.060 0.000 2.085 360 E HA -0.237 4.115 4.350 0.004 0.000 0.194 360 E C 1.901 178.556 176.600 0.092 0.000 0.994 360 E CA 1.370 57.786 56.400 0.027 0.000 0.801 360 E CB -0.266 29.451 29.700 0.028 0.000 0.743 360 E HN 0.413 8.773 8.360 -0.000 0.000 0.453 361 F N 1.303 121.263 119.950 0.017 0.000 2.075 361 F HA -0.163 4.366 4.527 0.004 0.000 0.297 361 F C 1.876 177.734 175.800 0.096 0.000 1.113 361 F CA 1.551 59.594 58.000 0.071 0.000 1.218 361 F CB -0.275 38.783 39.000 0.096 0.000 0.984 361 F HN 0.004 8.304 8.300 -0.000 0.000 0.472 362 L N -0.083 121.075 121.223 -0.107 0.000 2.141 362 L HA -0.180 4.162 4.340 0.004 0.000 0.209 362 L C 2.096 178.942 176.870 -0.040 0.000 1.094 362 L CA 1.104 55.897 54.840 -0.077 0.000 0.763 362 L CB -0.898 41.254 42.059 0.155 0.000 0.908 362 L HN 0.098 8.329 8.230 -0.000 0.000 0.437 363 D N -0.069 120.347 120.400 0.027 0.000 2.097 363 D HA -0.207 4.435 4.640 0.004 0.000 0.195 363 D C 2.233 178.547 176.300 0.023 0.000 0.989 363 D CA 1.091 55.171 54.000 0.132 0.000 0.827 363 D CB -0.117 40.855 40.800 0.287 0.000 0.966 363 D HN 0.325 8.695 8.370 -0.000 0.000 0.456 364 Q N -0.812 118.936 119.800 -0.086 0.000 2.030 364 Q HA -0.220 4.123 4.340 0.004 0.000 0.204 364 Q C 2.169 177.952 176.000 -0.362 0.000 0.986 364 Q CA 1.353 57.067 55.803 -0.149 0.000 0.843 364 Q CB -0.235 28.451 28.738 -0.086 0.000 0.904 364 Q HN 0.372 8.642 8.270 -0.000 0.000 0.420 365 Y N -0.239 119.584 120.300 -0.794 0.000 2.128 365 Y HA -0.302 4.250 4.550 0.004 0.000 0.284 365 Y C 1.708 177.116 175.900 -0.820 0.000 1.154 365 Y CA 1.814 59.178 58.100 -1.227 0.000 1.149 365 Y CB -0.551 37.106 38.460 -1.338 0.000 0.976 365 Y HN 0.159 8.439 8.280 -0.000 0.000 0.505 366 Y N -0.288 119.574 120.300 -0.731 0.000 2.293 366 Y HA -0.188 4.364 4.550 0.004 0.000 0.291 366 Y C 2.785 178.438 175.900 -0.413 0.000 1.137 366 Y CA 1.611 59.294 58.100 -0.696 0.000 1.202 366 Y CB -0.554 37.368 38.460 -0.897 0.000 0.990 366 Y HN 0.085 8.365 8.280 -0.000 0.000 0.537 367 S N -0.399 115.236 115.700 -0.108 0.000 2.359 367 S HA -0.265 4.208 4.470 0.004 0.000 0.224 367 S C 2.308 176.802 174.600 -0.177 0.000 1.035 367 S CA 1.623 59.776 58.200 -0.079 0.000 1.018 367 S CB -0.731 62.406 63.200 -0.105 0.000 0.876 367 S HN 0.665 8.975 8.310 -0.000 0.000 0.448 368 S N 2.549 118.075 115.700 -0.290 0.000 2.383 368 S HA -0.105 4.368 4.470 0.004 0.000 0.229 368 S C 1.721 176.180 174.600 -0.236 0.000 1.030 368 S CA 1.321 59.396 58.200 -0.208 0.000 1.002 368 S CB -0.883 62.228 63.200 -0.148 0.000 0.829 368 S HN 0.730 9.040 8.310 -0.000 0.000 0.467 369 I N -2.641 117.671 120.570 -0.429 0.000 3.810 369 I HA 0.349 4.521 4.170 0.004 0.000 0.322 369 I C -0.182 175.819 176.117 -0.195 0.000 1.288 369 I CA -0.369 60.725 61.300 -0.344 0.000 1.143 369 I CB -0.267 37.405 38.000 -0.547 0.000 1.012 369 I HN -0.084 8.126 8.210 -0.000 0.000 0.423 370 K N 1.790 122.107 120.400 -0.137 0.000 3.071 370 K HA -0.155 4.167 4.320 0.004 0.000 0.265 370 K C -0.073 176.521 176.600 -0.011 0.000 1.060 370 K CA 0.492 56.748 56.287 -0.052 0.000 0.767 370 K CB -1.645 30.833 32.500 -0.038 0.000 1.241 370 K HN 0.571 8.821 8.250 -0.000 0.000 0.486 371 R N -0.111 120.390 120.500 0.002 0.000 2.662 371 R HA 0.184 4.527 4.340 0.004 0.000 0.396 371 R C 0.094 176.479 176.300 0.140 0.000 1.096 371 R CA -0.482 55.672 56.100 0.089 0.000 1.081 371 R CB -0.106 30.282 30.300 0.146 0.000 1.382 371 R HN 0.138 8.408 8.270 -0.000 0.000 0.580 372 F N 1.425 121.377 119.950 0.003 0.000 2.571 372 F HA 0.236 4.765 4.527 0.004 0.000 0.384 372 F C 1.415 177.304 175.800 0.149 0.000 1.058 372 F CA 1.699 59.738 58.000 0.065 0.000 1.200 372 F CB 0.622 39.625 39.000 0.005 0.000 1.077 372 F HN 0.561 8.861 8.300 -0.000 0.000 0.558 373 G N 3.057 111.746 108.800 -0.185 0.000 2.176 373 G HA2 -0.284 3.678 3.960 0.004 0.000 0.253 373 G HA3 -0.284 3.678 3.960 0.004 0.000 0.253 373 G C 0.292 175.112 174.900 -0.134 0.000 0.979 373 G CA 0.214 45.168 45.100 -0.244 0.000 0.641 373 G HN 1.155 9.445 8.290 -0.000 0.000 0.530 374 S N -0.208 115.456 115.700 -0.060 0.000 2.584 374 S HA 0.437 4.909 4.470 0.004 0.000 0.270 374 S C 1.401 175.935 174.600 -0.108 0.000 1.346 374 S CA 0.678 58.849 58.200 -0.048 0.000 1.018 374 S CB 1.762 64.969 63.200 0.011 0.000 0.899 374 S HN 0.470 8.780 8.310 -0.000 0.000 0.542 375 K N 1.252 121.606 120.400 -0.077 0.000 2.059 375 K HA -0.232 4.091 4.320 0.004 0.000 0.212 375 K C 2.289 178.833 176.600 -0.093 0.000 1.050 375 K CA 1.643 57.880 56.287 -0.084 0.000 0.927 375 K CB -0.924 31.548 32.500 -0.047 0.000 0.714 375 K HN 0.812 9.062 8.250 -0.000 0.000 0.447 376 A N 0.402 123.192 122.820 -0.051 0.000 1.908 376 A HA -0.242 4.080 4.320 0.004 0.000 0.218 376 A C 2.019 179.466 177.584 -0.227 0.000 1.181 376 A CA 1.864 53.887 52.037 -0.022 0.000 0.627 376 A CB -0.948 18.129 19.000 0.128 0.000 0.818 376 A HN 0.628 8.778 8.150 -0.000 0.000 0.445 377 H N -1.282 117.398 119.070 -0.650 0.000 2.267 377 H HA -0.163 4.395 4.556 0.004 0.000 0.297 377 H C 2.103 177.059 175.328 -0.620 0.000 1.080 377 H CA 1.704 57.044 56.048 -1.180 0.000 1.278 377 H CB -0.077 29.116 29.762 -0.948 0.000 1.365 377 H HN 0.329 8.609 8.280 -0.000 0.000 0.489 378 M N 0.839 120.180 119.600 -0.432 0.000 2.117 378 M HA -0.154 4.328 4.480 0.004 0.000 0.262 378 M C 1.750 177.926 176.300 -0.207 0.000 1.065 378 M CA 1.213 56.292 55.300 -0.368 0.000 1.114 378 M CB -0.848 31.578 32.600 -0.289 0.000 1.361 378 M HN 0.341 8.631 8.290 -0.000 0.000 0.408 379 D N -0.319 119.992 120.400 -0.148 0.000 2.144 379 D HA -0.157 4.485 4.640 0.004 0.000 0.199 379 D C 2.105 178.378 176.300 -0.044 0.000 0.984 379 D CA 1.063 55.017 54.000 -0.078 0.000 0.834 379 D CB -0.299 40.474 40.800 -0.045 0.000 0.955 379 D HN 0.148 8.518 8.370 -0.000 0.000 0.465 380 R N 0.745 121.216 120.500 -0.047 0.000 2.073 380 R HA -0.006 4.337 4.340 0.004 0.000 0.234 380 R C 2.302 178.628 176.300 0.042 0.000 1.134 380 R CA 0.930 57.050 56.100 0.034 0.000 0.952 380 R CB -0.831 29.536 30.300 0.112 0.000 0.850 380 R HN 0.182 8.452 8.270 -0.000 0.000 0.433 381 L N 0.239 121.462 121.223 0.000 0.000 2.042 381 L HA -0.188 4.155 4.340 0.004 0.000 0.210 381 L C 2.472 179.403 176.870 0.101 0.000 1.076 381 L CA 1.935 56.825 54.840 0.084 0.000 0.749 381 L CB -0.621 41.440 42.059 0.005 0.000 0.893 381 L HN 0.290 8.520 8.230 -0.000 0.000 0.432 382 E N 0.726 120.920 120.200 -0.009 0.000 2.038 382 E HA -0.299 4.053 4.350 0.004 0.000 0.195 382 E C 2.063 178.632 176.600 -0.052 0.000 1.000 382 E CA 1.802 58.168 56.400 -0.057 0.000 0.803 382 E CB -0.133 29.526 29.700 -0.068 0.000 0.750 382 E HN 0.428 8.788 8.360 -0.000 0.000 0.448 383 E N -0.459 119.733 120.200 -0.014 0.000 2.118 383 E HA -0.175 4.177 4.350 0.004 0.000 0.195 383 E C 2.003 178.613 176.600 0.017 0.000 0.992 383 E CA 1.473 57.877 56.400 0.006 0.000 0.804 383 E CB 0.040 29.761 29.700 0.035 0.000 0.741 383 E HN 0.245 8.605 8.360 -0.000 0.000 0.458 384 V N 1.584 121.517 119.914 0.031 0.000 2.323 384 V HA -0.250 3.873 4.120 0.004 0.000 0.244 384 V C 2.376 178.446 176.094 -0.041 0.000 1.041 384 V CA 2.003 64.301 62.300 -0.003 0.000 1.025 384 V CB -0.824 30.943 31.823 -0.093 0.000 0.656 384 V HN 0.431 8.621 8.190 -0.000 0.000 0.451 385 N N 0.030 118.659 118.700 -0.118 0.000 2.036 385 N HA -0.256 4.486 4.740 0.004 0.000 0.195 385 N C 1.984 177.320 175.510 -0.291 0.000 1.037 385 N CA 1.638 54.367 53.050 -0.535 0.000 0.855 385 N CB -0.045 37.891 38.487 -0.919 0.000 1.033 385 N HN 0.443 8.823 8.380 -0.000 0.000 0.423 386 K N 0.723 121.016 120.400 -0.178 0.000 2.063 386 K HA -0.196 4.127 4.320 0.004 0.000 0.208 386 K C 1.995 178.562 176.600 -0.055 0.000 1.048 386 K CA 1.337 57.560 56.287 -0.106 0.000 0.928 386 K CB -0.143 32.314 32.500 -0.071 0.000 0.713 386 K HN 0.314 8.564 8.250 -0.000 0.000 0.442 387 E N 0.815 121.006 120.200 -0.016 0.000 2.110 387 E HA -0.176 4.176 4.350 0.004 0.000 0.193 387 E C 1.948 178.576 176.600 0.046 0.000 0.988 387 E CA 0.906 57.327 56.400 0.036 0.000 0.804 387 E CB 0.039 29.797 29.700 0.097 0.000 0.745 387 E HN 0.247 8.607 8.360 -0.000 0.000 0.458 388 I N 0.650 121.240 120.570 0.033 0.000 2.142 388 I HA -0.250 3.922 4.170 0.004 0.000 0.240 388 I C 2.576 178.696 176.117 0.006 0.000 1.078 388 I CA 1.444 62.774 61.300 0.050 0.000 1.343 388 I CB -0.270 37.765 38.000 0.059 0.000 1.046 388 I HN 0.178 8.388 8.210 -0.000 0.000 0.405 389 E N 0.390 120.562 120.200 -0.047 0.000 2.160 389 E HA -0.245 4.107 4.350 0.004 0.000 0.195 389 E C 2.210 178.795 176.600 -0.025 0.000 0.991 389 E CA 1.620 57.991 56.400 -0.049 0.000 0.810 389 E CB 0.013 29.661 29.700 -0.087 0.000 0.742 389 E HN 0.304 8.664 8.360 -0.000 0.000 0.466 390 S N -1.412 114.278 115.700 -0.017 0.000 2.371 390 S HA -0.075 4.397 4.470 0.004 0.000 0.221 390 S C 1.940 176.543 174.600 0.005 0.000 1.036 390 S CA 1.578 59.774 58.200 -0.007 0.000 0.965 390 S CB -0.169 63.028 63.200 -0.005 0.000 0.845 390 S HN 0.522 8.832 8.310 -0.000 0.000 0.475 391 T N -3.211 111.353 114.554 0.017 0.000 3.003 391 T HA 0.374 4.726 4.350 0.004 0.000 0.261 391 T C 0.671 175.387 174.700 0.026 0.000 1.003 391 T CA 0.842 62.955 62.100 0.021 0.000 0.917 391 T CB 0.119 69.005 68.868 0.029 0.000 1.084 391 T HN 0.235 8.475 8.240 -0.000 0.000 0.522 392 S N -0.372 115.348 115.700 0.033 0.000 3.018 392 S HA -0.142 4.330 4.470 0.004 0.000 0.274 392 S C 0.265 174.904 174.600 0.065 0.000 1.300 392 S CA 1.389 59.612 58.200 0.040 0.000 1.179 392 S CB -1.935 61.279 63.200 0.023 0.000 1.427 392 S HN 1.024 9.334 8.310 -0.000 0.000 0.668 393 T N -0.930 113.679 114.554 0.092 0.000 2.637 393 T HA 0.698 5.050 4.350 0.004 0.000 0.303 393 T C -2.044 172.806 174.700 0.251 0.000 1.288 393 T CA 0.012 62.190 62.100 0.130 0.000 1.040 393 T CB 1.455 70.335 68.868 0.020 0.000 1.644 393 T HN 0.747 8.987 8.240 -0.000 0.000 0.480 394 Y N -0.557 119.749 120.300 0.010 0.000 2.656 394 Y HA 0.776 5.328 4.550 0.004 0.000 0.334 394 Y C -1.524 174.390 175.900 0.022 0.000 1.179 394 Y CA -1.270 56.848 58.100 0.029 0.000 1.050 394 Y CB 1.002 39.502 38.460 0.066 0.000 1.308 394 Y HN 0.357 8.637 8.280 -0.000 0.000 0.456 395 Q N 2.671 122.493 119.800 0.036 0.000 2.293 395 Q HA 0.458 4.800 4.340 0.004 0.000 0.261 395 Q C -0.798 175.214 176.000 0.019 0.000 0.960 395 Q CA -0.734 55.040 55.803 -0.049 0.000 0.882 395 Q CB 2.586 31.336 28.738 0.021 0.000 1.275 395 Q HN 0.801 9.071 8.270 -0.000 0.000 0.445 396 L N 2.565 123.756 121.223 -0.053 0.000 2.426 396 L HA 0.163 4.505 4.340 0.004 0.000 0.271 396 L C 0.817 177.712 176.870 0.042 0.000 1.169 396 L CA -0.335 54.526 54.840 0.035 0.000 0.836 396 L CB 0.345 42.400 42.059 -0.006 0.000 1.112 396 L HN 0.217 8.447 8.230 -0.000 0.000 0.465 397 K N 1.825 122.256 120.400 0.052 0.000 2.276 397 K HA 0.018 4.340 4.320 0.004 0.000 0.259 397 K C 0.559 177.143 176.600 -0.027 0.000 1.001 397 K CA -0.290 56.007 56.287 0.015 0.000 0.927 397 K CB 0.579 33.086 32.500 0.012 0.000 0.969 397 K HN 0.451 8.701 8.250 -0.000 0.000 0.490 398 D N 0.808 121.193 120.400 -0.025 0.000 2.116 398 D HA -0.169 4.473 4.640 0.004 0.000 0.193 398 D C 1.665 177.938 176.300 -0.045 0.000 0.998 398 D CA 2.220 56.196 54.000 -0.040 0.000 0.836 398 D CB -0.331 40.453 40.800 -0.027 0.000 0.951 398 D HN 0.730 9.100 8.370 -0.000 0.000 0.449 399 T N -0.876 113.652 114.554 -0.042 0.000 2.746 399 T HA -0.152 4.200 4.350 0.004 0.000 0.267 399 T C 1.827 176.451 174.700 -0.126 0.000 1.039 399 T CA 1.247 63.327 62.100 -0.032 0.000 1.142 399 T CB -0.403 68.472 68.868 0.012 0.000 0.866 399 T HN 0.229 8.469 8.240 -0.000 0.000 0.444 400 E N 0.787 120.818 120.200 -0.280 0.000 2.106 400 E HA 0.032 4.384 4.350 0.004 0.000 0.192 400 E C 2.079 178.721 176.600 0.070 0.000 0.984 400 E CA 0.782 57.013 56.400 -0.281 0.000 0.806 400 E CB -0.284 29.329 29.700 -0.146 0.000 0.750 400 E HN 0.306 8.666 8.360 -0.000 0.000 0.458 401 L N 0.933 122.141 121.223 -0.025 0.000 2.046 401 L HA -0.157 4.185 4.340 0.004 0.000 0.208 401 L C 1.975 178.814 176.870 -0.052 0.000 1.077 401 L CA 1.493 56.277 54.840 -0.094 0.000 0.747 401 L CB -0.125 41.833 42.059 -0.169 0.000 0.896 401 L HN 0.106 8.336 8.230 -0.000 0.000 0.432 402 I N -1.885 118.686 120.570 0.002 0.000 2.163 402 I HA -0.327 3.845 4.170 0.004 0.000 0.240 402 I C 2.357 178.566 176.117 0.153 0.000 1.081 402 I CA 1.661 62.983 61.300 0.036 0.000 1.353 402 I CB -0.580 37.440 38.000 0.032 0.000 1.054 402 I HN 0.309 8.519 8.210 -0.000 0.000 0.407 403 Y N 1.806 122.185 120.300 0.132 0.000 2.114 403 Y HA -0.276 4.276 4.550 0.004 0.000 0.282 403 Y C 2.388 178.482 175.900 0.324 0.000 1.165 403 Y CA 1.818 60.084 58.100 0.276 0.000 1.148 403 Y CB -0.825 37.796 38.460 0.269 0.000 0.972 403 Y HN 0.113 8.393 8.280 -0.000 0.000 0.504 404 G N -0.395 108.595 108.800 0.318 0.000 2.418 404 G HA2 -0.251 3.711 3.960 0.004 0.000 0.217 404 G HA3 -0.251 3.711 3.960 0.004 0.000 0.217 404 G C 1.780 176.649 174.900 -0.051 0.000 1.158 404 G CA 1.012 46.202 45.100 0.150 0.000 0.771 404 G HN 0.628 8.918 8.290 -0.000 0.000 0.545 405 A N 0.739 123.521 122.820 -0.062 0.000 1.897 405 A HA 0.071 4.394 4.320 0.004 0.000 0.215 405 A C 2.299 179.901 177.584 0.029 0.000 1.181 405 A CA 1.831 53.813 52.037 -0.090 0.000 0.620 405 A CB -0.305 18.652 19.000 -0.072 0.000 0.821 405 A HN 0.362 8.512 8.150 -0.000 0.000 0.443 406 K N -1.159 119.308 120.400 0.112 0.000 2.057 406 K HA -0.182 4.141 4.320 0.004 0.000 0.207 406 K C 1.940 178.568 176.600 0.047 0.000 1.049 406 K CA 1.820 58.242 56.287 0.226 0.000 0.931 406 K CB -0.330 32.343 32.500 0.288 0.000 0.714 406 K HN 0.637 8.887 8.250 -0.000 0.000 0.440 407 H N 0.044 119.006 119.070 -0.180 0.000 2.395 407 H HA 0.030 4.588 4.556 0.004 0.000 0.299 407 H C 1.953 177.118 175.328 -0.272 0.000 1.070 407 H CA 1.221 57.056 56.048 -0.355 0.000 1.356 407 H CB -0.154 29.307 29.762 -0.502 0.000 1.401 407 H HN 0.258 8.538 8.280 -0.000 0.000 0.524 408 A N 0.554 123.254 122.820 -0.200 0.000 1.917 408 A HA -0.232 4.090 4.320 0.004 0.000 0.219 408 A C 2.076 179.584 177.584 -0.126 0.000 1.182 408 A CA 1.696 53.491 52.037 -0.404 0.000 0.633 408 A CB -1.024 17.361 19.000 -1.026 0.000 0.819 408 A HN 0.632 8.782 8.150 -0.000 0.000 0.448 409 W N 0.722 121.948 121.300 -0.125 0.000 2.379 409 W HA -0.088 4.574 4.660 0.004 0.000 0.307 409 W C 2.334 178.795 176.519 -0.097 0.000 1.200 409 W CA 1.394 58.750 57.345 0.019 0.000 1.297 409 W CB -0.709 28.775 29.460 0.041 0.000 1.140 409 W HN 0.359 8.539 8.180 -0.000 0.000 0.507 410 R N 0.300 120.674 120.500 -0.210 0.000 2.117 410 R HA -0.199 4.143 4.340 0.004 0.000 0.243 410 R C 1.455 177.557 176.300 -0.330 0.000 1.143 410 R CA 1.853 57.594 56.100 -0.599 0.000 0.968 410 R CB -0.523 28.989 30.300 -1.314 0.000 0.863 410 R HN 0.089 8.359 8.270 -0.000 0.000 0.444 411 N N 0.037 118.610 118.700 -0.211 0.000 2.398 411 N HA 0.033 4.776 4.740 0.004 0.000 0.188 411 N C -0.535 174.929 175.510 -0.076 0.000 1.122 411 N CA 0.537 53.501 53.050 -0.144 0.000 0.866 411 N CB 0.690 39.103 38.487 -0.124 0.000 0.970 411 N HN 0.153 8.533 8.380 -0.000 0.000 0.462 412 A N 0.976 123.801 122.820 0.008 0.000 2.666 412 A HA 0.190 4.512 4.320 0.004 0.000 0.301 412 A C 1.432 179.021 177.584 0.008 0.000 1.470 412 A CA -0.259 51.803 52.037 0.042 0.000 1.159 412 A CB -0.209 18.888 19.000 0.162 0.000 1.116 412 A HN 0.264 8.414 8.150 -0.000 0.000 0.548 413 S N 2.758 118.423 115.700 -0.058 0.000 2.419 413 S HA -0.176 4.297 4.470 0.004 0.000 0.233 413 S C 1.499 176.073 174.600 -0.044 0.000 1.016 413 S CA 1.101 59.266 58.200 -0.057 0.000 0.974 413 S CB -0.254 62.877 63.200 -0.115 0.000 0.786 413 S HN 0.757 9.067 8.310 -0.000 0.000 0.492 414 R N -0.182 120.262 120.500 -0.093 0.000 2.313 414 R HA 0.222 4.564 4.340 0.004 0.000 0.199 414 R C 0.317 176.642 176.300 0.041 0.000 0.958 414 R CA 0.183 56.245 56.100 -0.062 0.000 1.047 414 R CB -0.370 29.712 30.300 -0.362 0.000 0.955 414 R HN 0.452 8.722 8.270 -0.000 0.000 0.481 415 C N 0.301 119.616 119.300 0.025 0.000 2.255 415 C HA 0.258 4.721 4.460 0.004 0.000 0.326 415 C C 1.775 176.753 174.990 -0.020 0.000 1.258 415 C CA -0.736 58.324 59.018 0.070 0.000 1.676 415 C CB 0.706 28.562 27.740 0.193 0.000 2.314 415 C HN 0.264 8.494 8.230 -0.000 0.000 0.509 416 V N 5.901 125.761 119.914 -0.091 0.000 3.541 416 V HA 0.211 4.333 4.120 0.004 0.000 0.267 416 V C 1.808 177.954 176.094 0.086 0.000 1.213 416 V CA 2.057 64.211 62.300 -0.243 0.000 1.149 416 V CB -0.066 31.620 31.823 -0.229 0.000 0.822 416 V HN 1.082 9.272 8.190 -0.000 0.000 0.462 417 G N -0.660 108.224 108.800 0.141 0.000 3.233 417 G HA2 0.025 3.988 3.960 0.004 0.000 0.227 417 G HA3 0.025 3.988 3.960 0.004 0.000 0.227 417 G C 1.283 176.263 174.900 0.133 0.000 1.175 417 G CA -0.304 44.895 45.100 0.165 0.000 0.781 417 G HN 0.438 8.728 8.290 -0.000 0.000 0.542 418 R N -0.204 120.328 120.500 0.053 0.000 2.328 418 R HA 0.129 4.472 4.340 0.004 0.000 0.207 418 R C 2.067 177.893 176.300 -0.790 0.000 1.056 418 R CA 0.081 55.947 56.100 -0.391 0.000 1.016 418 R CB -0.204 29.982 30.300 -0.191 0.000 0.872 418 R HN 0.433 8.703 8.270 -0.000 0.000 0.471 419 I N 1.149 121.347 120.570 -0.619 0.000 2.399 419 I HA -0.319 3.853 4.170 0.004 0.000 0.254 419 I C 1.439 177.342 176.117 -0.357 0.000 1.146 419 I CA 1.474 62.491 61.300 -0.472 0.000 1.412 419 I CB 0.145 38.091 38.000 -0.091 0.000 1.076 419 I HN 0.220 8.430 8.210 -0.000 0.000 0.432 420 Q N 0.393 119.963 119.800 -0.382 0.000 2.403 420 Q HA -0.115 4.227 4.340 0.004 0.000 0.203 420 Q C 1.631 177.138 176.000 -0.823 0.000 0.932 420 Q CA 0.565 56.148 55.803 -0.367 0.000 0.945 420 Q CB -0.223 28.487 28.738 -0.047 0.000 1.045 420 Q HN 0.806 9.076 8.270 -0.000 0.000 0.511 421 W N 1.189 121.741 121.300 -1.245 0.000 2.325 421 W HA -0.215 4.447 4.660 0.004 0.000 0.299 421 W C 1.305 177.452 176.519 -0.620 0.000 1.215 421 W CA 1.558 57.983 57.345 -1.534 0.000 1.244 421 W CB -1.160 27.601 29.460 -1.165 0.000 1.140 421 W HN 0.165 8.345 8.180 -0.000 0.000 0.523 422 S N 0.635 115.488 115.700 -1.413 0.000 2.527 422 S HA 0.014 4.486 4.470 0.004 0.000 0.222 422 S C 1.372 175.693 174.600 -0.466 0.000 0.985 422 S CA 0.621 58.119 58.200 -1.171 0.000 0.921 422 S CB -0.371 61.923 63.200 -1.510 0.000 0.772 422 S HN 0.310 8.620 8.310 -0.000 0.000 0.529 423 K N 0.722 120.949 120.400 -0.288 0.000 2.437 423 K HA 0.329 4.651 4.320 0.004 0.000 0.198 423 K C -0.169 176.475 176.600 0.073 0.000 1.024 423 K CA -0.346 55.898 56.287 -0.072 0.000 1.148 423 K CB -0.001 32.490 32.500 -0.016 0.000 0.860 423 K HN 0.285 8.535 8.250 -0.000 0.000 0.515 424 L N 2.009 123.322 121.223 0.149 0.000 2.513 424 L HA -0.006 4.337 4.340 0.004 0.000 0.272 424 L C -0.098 176.764 176.870 -0.012 0.000 1.187 424 L CA 0.350 55.296 54.840 0.178 0.000 0.895 424 L CB 0.462 42.697 42.059 0.294 0.000 1.147 424 L HN 0.052 8.282 8.230 -0.000 0.000 0.483 425 Q N 3.716 123.456 119.800 -0.100 0.000 2.294 425 Q HA 0.430 4.773 4.340 0.004 0.000 0.257 425 Q C -1.404 174.265 176.000 -0.552 0.000 0.955 425 Q CA -0.204 55.379 55.803 -0.366 0.000 0.936 425 Q CB 1.132 29.589 28.738 -0.468 0.000 1.188 425 Q HN 0.535 8.805 8.270 -0.000 0.000 0.420 426 V N 6.203 125.793 119.914 -0.539 0.000 2.347 426 V HA 0.398 4.520 4.120 0.004 0.000 0.280 426 V C -0.783 174.965 176.094 -0.576 0.000 1.021 426 V CA -0.537 61.499 62.300 -0.439 0.000 0.847 426 V CB 0.382 32.066 31.823 -0.232 0.000 0.990 426 V HN 0.657 8.847 8.190 -0.000 0.000 0.444 427 F N 2.755 122.569 119.950 -0.226 0.000 2.391 427 F HA 0.371 4.901 4.527 0.004 0.000 0.359 427 F C 0.537 176.163 175.800 -0.289 0.000 1.122 427 F CA -1.024 56.840 58.000 -0.227 0.000 1.120 427 F CB 0.967 39.845 39.000 -0.204 0.000 1.142 427 F HN 0.410 8.710 8.300 -0.000 0.000 0.483 428 D N 3.251 123.602 120.400 -0.082 0.000 2.365 428 D HA 0.358 5.001 4.640 0.004 0.000 0.237 428 D C 0.079 176.182 176.300 -0.329 0.000 1.190 428 D CA 0.066 53.943 54.000 -0.205 0.000 0.867 428 D CB 1.138 41.864 40.800 -0.123 0.000 1.050 428 D HN 0.614 8.984 8.370 -0.000 0.000 0.491 429 A N 4.611 127.039 122.820 -0.653 0.000 2.713 429 A HA 0.166 4.488 4.320 0.004 0.000 0.296 429 A C 1.496 178.740 177.584 -0.567 0.000 1.255 429 A CA -0.410 50.980 52.037 -1.078 0.000 0.955 429 A CB -0.028 17.761 19.000 -2.019 0.000 1.149 429 A HN 0.542 8.692 8.150 -0.000 0.000 0.538 430 R N 0.462 120.773 120.500 -0.314 0.000 2.316 430 R HA -0.060 4.283 4.340 0.004 0.000 0.202 430 R C 0.590 176.829 176.300 -0.103 0.000 1.029 430 R CA 1.115 57.108 56.100 -0.179 0.000 1.018 430 R CB 0.066 30.312 30.300 -0.088 0.000 0.888 430 R HN 0.651 8.921 8.270 -0.000 0.000 0.471 431 D N -0.779 119.591 120.400 -0.050 0.000 2.339 431 D HA -0.052 4.590 4.640 0.004 0.000 0.217 431 D C 0.300 176.671 176.300 0.119 0.000 1.050 431 D CA -0.289 53.740 54.000 0.048 0.000 0.856 431 D CB -0.466 40.387 40.800 0.088 0.000 0.922 431 D HN -0.014 8.356 8.370 -0.000 0.000 0.518 432 C N 1.408 120.772 119.300 0.107 0.000 2.662 432 C HA 0.422 4.884 4.460 0.004 0.000 0.420 432 C C 1.853 177.027 174.990 0.307 0.000 1.314 432 C CA 0.818 59.997 59.018 0.268 0.000 1.963 432 C CB -0.050 27.907 27.740 0.362 0.000 2.686 432 C HN 0.578 8.808 8.230 -0.000 0.000 0.609 433 T N 0.205 114.993 114.554 0.389 0.000 2.969 433 T HA 0.256 4.608 4.350 0.004 0.000 0.258 433 T C 0.321 175.227 174.700 0.344 0.000 0.962 433 T CA 0.603 62.951 62.100 0.414 0.000 0.903 433 T CB -0.098 68.920 68.868 0.250 0.000 1.177 433 T HN 0.873 9.113 8.240 -0.000 0.000 0.511 434 T N -1.582 113.159 114.554 0.311 0.000 2.901 434 T HA 0.809 5.162 4.350 0.004 0.000 0.293 434 T C 1.370 176.189 174.700 0.199 0.000 1.084 434 T CA -0.214 62.012 62.100 0.210 0.000 1.008 434 T CB 1.581 70.575 68.868 0.210 0.000 1.170 434 T HN 0.096 8.335 8.240 -0.000 0.000 0.509 435 A N 0.251 123.161 122.820 0.151 0.000 1.933 435 A HA -0.026 4.296 4.320 0.004 0.000 0.218 435 A C 1.976 179.519 177.584 -0.068 0.000 1.175 435 A CA 1.790 53.882 52.037 0.091 0.000 0.628 435 A CB -1.455 17.674 19.000 0.215 0.000 0.814 435 A HN 1.012 9.162 8.150 -0.000 0.000 0.444 436 H N -0.642 118.471 119.070 0.071 0.000 2.352 436 H HA -0.043 4.515 4.556 0.004 0.000 0.299 436 H C 2.366 177.690 175.328 -0.007 0.000 1.097 436 H CA 1.710 57.736 56.048 -0.038 0.000 1.311 436 H CB -0.329 29.526 29.762 0.154 0.000 1.377 436 H HN 0.483 8.763 8.280 -0.000 0.000 0.504 437 G N -0.141 108.784 108.800 0.210 0.000 2.422 437 G HA2 -0.257 3.705 3.960 0.004 0.000 0.218 437 G HA3 -0.257 3.705 3.960 0.004 0.000 0.218 437 G C 1.602 176.685 174.900 0.305 0.000 1.146 437 G CA 0.990 46.227 45.100 0.230 0.000 0.769 437 G HN 0.298 8.588 8.290 -0.000 0.000 0.547 438 M N -0.570 119.152 119.600 0.205 0.000 2.132 438 M HA 0.077 4.559 4.480 0.004 0.000 0.263 438 M C 2.305 178.665 176.300 0.100 0.000 1.065 438 M CA 1.172 56.553 55.300 0.135 0.000 1.122 438 M CB -0.403 32.046 32.600 -0.252 0.000 1.365 438 M HN 0.290 8.580 8.290 -0.000 0.000 0.411 439 F N 1.451 121.208 119.950 -0.322 0.000 2.095 439 F HA -0.302 4.227 4.527 0.004 0.000 0.298 439 F C 2.123 177.819 175.800 -0.174 0.000 1.104 439 F CA 2.048 59.790 58.000 -0.430 0.000 1.232 439 F CB -0.270 38.082 39.000 -1.080 0.000 0.987 439 F HN 0.173 8.473 8.300 -0.000 0.000 0.475 440 N N -0.466 118.085 118.700 -0.249 0.000 2.084 440 N HA -0.259 4.483 4.740 0.004 0.000 0.190 440 N C 1.818 177.172 175.510 -0.261 0.000 1.030 440 N CA 2.019 54.879 53.050 -0.318 0.000 0.849 440 N CB -0.756 37.620 38.487 -0.184 0.000 1.012 440 N HN 0.496 8.876 8.380 -0.000 0.000 0.423 441 Y N 0.198 120.453 120.300 -0.076 0.000 2.224 441 Y HA -0.064 4.489 4.550 0.004 0.000 0.289 441 Y C 2.087 177.942 175.900 -0.076 0.000 1.146 441 Y CA 1.035 59.102 58.100 -0.055 0.000 1.182 441 Y CB -0.032 38.489 38.460 0.102 0.000 0.983 441 Y HN 0.138 8.418 8.280 -0.000 0.000 0.524 442 I N -1.838 118.800 120.570 0.112 0.000 2.353 442 I HA -0.303 3.870 4.170 0.004 0.000 0.248 442 I C 2.254 178.303 176.117 -0.114 0.000 1.119 442 I CA 0.540 61.853 61.300 0.022 0.000 1.417 442 I CB -0.403 37.607 38.000 0.017 0.000 1.078 442 I HN 0.292 8.502 8.210 -0.000 0.000 0.421 443 C N 0.967 120.093 119.300 -0.290 0.000 2.413 443 C HA -0.152 4.311 4.460 0.004 0.000 0.276 443 C C 2.645 177.535 174.990 -0.166 0.000 1.236 443 C CA 0.975 59.813 59.018 -0.299 0.000 1.735 443 C CB -1.367 26.071 27.740 -0.504 0.000 2.031 443 C HN 0.554 8.784 8.230 -0.000 0.000 0.474 444 N N -0.103 118.482 118.700 -0.192 0.000 2.120 444 N HA -0.150 4.593 4.740 0.004 0.000 0.188 444 N C 1.429 176.839 175.510 -0.167 0.000 1.024 444 N CA 1.553 54.482 53.050 -0.203 0.000 0.852 444 N CB -0.916 37.380 38.487 -0.318 0.000 1.003 444 N HN 0.768 9.148 8.380 -0.000 0.000 0.424 445 H N 0.383 119.293 119.070 -0.267 0.000 2.290 445 H HA -0.033 4.526 4.556 0.004 0.000 0.298 445 H C 1.838 177.201 175.328 0.059 0.000 1.087 445 H CA 1.646 57.624 56.048 -0.115 0.000 1.291 445 H CB 0.076 29.825 29.762 -0.021 0.000 1.369 445 H HN -0.090 8.190 8.280 -0.000 0.000 0.492 446 V N 0.920 120.978 119.914 0.240 0.000 2.332 446 V HA -0.252 3.870 4.120 0.004 0.000 0.248 446 V C 2.499 178.673 176.094 0.132 0.000 1.055 446 V CA 2.247 64.644 62.300 0.161 0.000 1.038 446 V CB -0.521 31.313 31.823 0.018 0.000 0.651 446 V HN 0.416 8.606 8.190 -0.000 0.000 0.450 447 K N -0.989 119.459 120.400 0.080 0.000 2.057 447 K HA -0.224 4.098 4.320 0.004 0.000 0.206 447 K C 2.249 178.909 176.600 0.101 0.000 1.050 447 K CA 1.831 58.154 56.287 0.060 0.000 0.935 447 K CB -0.334 32.177 32.500 0.019 0.000 0.715 447 K HN 0.539 8.789 8.250 -0.000 0.000 0.439 448 Y N 0.667 120.988 120.300 0.035 0.000 2.114 448 Y HA -0.224 4.328 4.550 0.004 0.000 0.284 448 Y C 1.983 177.955 175.900 0.120 0.000 1.143 448 Y CA 1.882 60.034 58.100 0.087 0.000 1.135 448 Y CB -0.403 38.150 38.460 0.156 0.000 0.980 448 Y HN 0.140 8.420 8.280 -0.000 0.000 0.499 449 A N -0.655 122.336 122.820 0.286 0.000 1.933 449 A HA -0.158 4.164 4.320 0.004 0.000 0.218 449 A C 2.192 179.842 177.584 0.109 0.000 1.175 449 A CA 2.190 54.359 52.037 0.221 0.000 0.628 449 A CB -1.310 17.894 19.000 0.340 0.000 0.814 449 A HN 0.534 8.684 8.150 -0.000 0.000 0.444 450 T N -0.236 114.379 114.554 0.103 0.000 2.701 450 T HA -0.123 4.229 4.350 0.004 0.000 0.263 450 T C 1.119 175.825 174.700 0.010 0.000 1.040 450 T CA 1.417 63.560 62.100 0.073 0.000 1.147 450 T CB -0.408 68.502 68.868 0.070 0.000 0.865 450 T HN 0.657 8.897 8.240 -0.000 0.000 0.426 451 N N 1.103 119.779 118.700 -0.040 0.000 2.727 451 N HA -0.224 4.518 4.740 0.004 0.000 0.249 451 N C -0.388 175.093 175.510 -0.048 0.000 1.048 451 N CA 0.756 53.755 53.050 -0.085 0.000 0.714 451 N CB -1.606 36.786 38.487 -0.159 0.000 0.959 451 N HN 0.601 8.981 8.380 -0.000 0.000 0.544 452 K N -2.425 117.960 120.400 -0.025 0.000 3.016 452 K HA -0.230 4.092 4.320 0.004 0.000 0.262 452 K C 1.068 177.653 176.600 -0.026 0.000 1.043 452 K CA 1.041 57.315 56.287 -0.022 0.000 0.761 452 K CB -1.781 30.703 32.500 -0.027 0.000 1.230 452 K HN 0.967 9.217 8.250 -0.000 0.000 0.485 453 G N 0.493 109.284 108.800 -0.015 0.000 2.259 453 G HA2 -0.325 3.638 3.960 0.004 0.000 0.217 453 G HA3 -0.325 3.638 3.960 0.004 0.000 0.217 453 G C -0.067 174.819 174.900 -0.023 0.000 1.001 453 G CA 0.118 45.207 45.100 -0.017 0.000 0.627 453 G HN 0.475 8.765 8.290 -0.000 0.000 0.501 454 N N 1.218 119.893 118.700 -0.041 0.000 3.124 454 N HA 0.413 5.156 4.740 0.004 0.000 0.284 454 N C 0.184 175.666 175.510 -0.046 0.000 1.209 454 N CA -0.622 52.388 53.050 -0.068 0.000 1.149 454 N CB -0.144 38.298 38.487 -0.075 0.000 1.434 454 N HN 0.186 8.566 8.380 -0.000 0.000 0.529 455 L N 2.249 123.474 121.223 0.003 0.000 2.514 455 L HA 0.082 4.424 4.340 0.004 0.000 0.280 455 L C 0.638 177.640 176.870 0.220 0.000 1.223 455 L CA 0.990 55.917 54.840 0.144 0.000 0.864 455 L CB 0.368 42.617 42.059 0.317 0.000 1.118 455 L HN 0.357 8.587 8.230 -0.000 0.000 0.494 456 R N 1.422 122.054 120.500 0.221 0.000 2.561 456 R HA 0.444 4.787 4.340 0.004 0.000 0.297 456 R C -0.654 175.820 176.300 0.289 0.000 0.969 456 R CA -0.710 55.538 56.100 0.247 0.000 0.879 456 R CB 1.762 32.070 30.300 0.013 0.000 1.178 456 R HN 0.566 8.836 8.270 -0.000 0.000 0.445 457 S N 1.490 117.358 115.700 0.279 0.000 2.533 457 S HA 0.440 4.912 4.470 0.004 0.000 0.282 457 S C -0.318 174.332 174.600 0.083 0.000 1.304 457 S CA -0.221 58.038 58.200 0.098 0.000 1.063 457 S CB 1.151 64.380 63.200 0.048 0.000 0.881 457 S HN 0.675 8.985 8.310 -0.000 0.000 0.493 458 A N 2.963 125.787 122.820 0.006 0.000 2.587 458 A HA 0.851 5.173 4.320 0.004 0.000 0.293 458 A C -1.174 176.381 177.584 -0.048 0.000 1.087 458 A CA -0.690 51.274 52.037 -0.121 0.000 0.692 458 A CB 1.233 20.096 19.000 -0.229 0.000 1.291 458 A HN 0.810 8.960 8.150 -0.000 0.000 0.407 459 I N 0.361 120.894 120.570 -0.061 0.000 2.722 459 I HA 0.641 4.813 4.170 0.004 0.000 0.295 459 I C -1.118 175.077 176.117 0.131 0.000 1.161 459 I CA -0.104 61.293 61.300 0.161 0.000 1.032 459 I CB 2.418 40.486 38.000 0.114 0.000 1.244 459 I HN 0.601 8.811 8.210 -0.000 0.000 0.421 460 T N 7.785 122.479 114.554 0.232 0.000 2.807 460 T HA 0.589 4.941 4.350 0.004 0.000 0.279 460 T C -0.429 174.113 174.700 -0.262 0.000 0.993 460 T CA -0.244 61.850 62.100 -0.010 0.000 0.970 460 T CB 1.078 69.964 68.868 0.031 0.000 0.950 460 T HN 0.315 8.555 8.240 -0.000 0.000 0.441 461 I N 3.881 124.176 120.570 -0.459 0.000 2.382 461 I HA 0.404 4.576 4.170 0.004 0.000 0.285 461 I C -0.529 175.254 176.117 -0.557 0.000 1.007 461 I CA -0.677 60.367 61.300 -0.427 0.000 1.142 461 I CB 0.741 38.455 38.000 -0.476 0.000 1.289 461 I HN 0.476 8.686 8.210 -0.000 0.000 0.453 462 F N 6.529 126.394 119.950 -0.142 0.000 2.368 462 F HA 0.427 4.956 4.527 0.004 0.000 0.308 462 F C -1.847 173.828 175.800 -0.209 0.000 1.198 462 F CA -2.211 55.631 58.000 -0.263 0.000 1.130 462 F CB -0.145 38.731 39.000 -0.207 0.000 1.300 462 F HN 0.217 8.517 8.300 -0.000 0.000 0.537 463 P HA -0.012 4.408 4.420 -0.000 0.000 0.265 463 P C -0.988 176.295 177.300 -0.027 0.000 1.187 463 P CA -0.170 62.797 63.100 -0.222 0.000 0.766 463 P CB 0.218 31.620 31.700 -0.497 0.000 0.820 464 Q N 2.913 122.659 119.800 -0.090 0.000 2.474 464 Q HA 0.058 4.400 4.340 0.004 0.000 0.256 464 Q C 0.188 176.097 176.000 -0.153 0.000 1.048 464 Q CA -0.409 55.151 55.803 -0.405 0.000 0.922 464 Q CB 0.571 28.800 28.738 -0.847 0.000 1.288 464 Q HN 0.330 8.600 8.270 -0.000 0.000 0.484 465 R N 0.517 120.921 120.500 -0.161 0.000 2.640 465 R HA -0.018 4.324 4.340 0.004 0.000 0.270 465 R C 0.294 176.558 176.300 -0.058 0.000 1.024 465 R CA 1.123 57.195 56.100 -0.047 0.000 1.085 465 R CB 0.511 30.776 30.300 -0.058 0.000 0.963 465 R HN 0.968 9.238 8.270 -0.000 0.000 0.426 466 T N -0.678 113.882 114.554 0.009 0.000 3.422 466 T HA 0.020 4.372 4.350 0.004 0.000 0.192 466 T C 0.883 175.589 174.700 0.010 0.000 0.857 466 T CA 0.227 62.322 62.100 -0.009 0.000 1.400 466 T CB -0.298 68.559 68.868 -0.019 0.000 1.864 466 T HN 0.703 8.943 8.240 -0.000 0.000 0.415 467 D N 0.781 121.210 120.400 0.048 0.000 2.339 467 D HA 0.302 4.945 4.640 0.004 0.000 0.217 467 D C 1.625 177.967 176.300 0.070 0.000 1.050 467 D CA 0.686 54.722 54.000 0.060 0.000 0.856 467 D CB -0.399 40.448 40.800 0.078 0.000 0.922 467 D HN 0.981 9.351 8.370 -0.000 0.000 0.518 468 G N 0.813 109.660 108.800 0.077 0.000 2.176 468 G HA2 -0.347 3.616 3.960 0.004 0.000 0.253 468 G HA3 -0.347 3.616 3.960 0.004 0.000 0.253 468 G C 1.001 175.931 174.900 0.050 0.000 0.979 468 G CA 0.400 45.531 45.100 0.051 0.000 0.641 468 G HN 0.455 8.745 8.290 -0.000 0.000 0.530 469 K N -0.531 119.928 120.400 0.097 0.000 2.358 469 K HA 0.248 4.570 4.320 0.004 0.000 0.197 469 K C 0.637 177.127 176.600 -0.183 0.000 1.025 469 K CA 0.347 56.624 56.287 -0.017 0.000 1.104 469 K CB 0.348 32.841 32.500 -0.012 0.000 0.855 469 K HN 0.509 8.759 8.250 -0.000 0.000 0.531 470 H N 0.245 119.324 119.070 0.014 0.000 2.549 470 H HA 0.176 4.734 4.556 0.004 0.000 0.253 470 H C -1.070 174.277 175.328 0.030 0.000 1.170 470 H CA -0.754 55.302 56.048 0.012 0.000 0.943 470 H CB 0.240 30.027 29.762 0.041 0.000 1.849 470 H HN -0.017 8.263 8.280 -0.000 0.000 0.603 471 D N 0.466 120.921 120.400 0.092 0.000 2.455 471 D HA 0.004 4.646 4.640 0.004 0.000 0.241 471 D C -0.106 176.238 176.300 0.072 0.000 1.138 471 D CA 0.357 54.432 54.000 0.126 0.000 0.877 471 D CB 0.410 41.255 40.800 0.075 0.000 1.187 471 D HN 0.115 8.485 8.370 -0.000 0.000 0.451 472 F N 2.834 122.823 119.950 0.066 0.000 2.438 472 F HA 0.332 4.861 4.527 0.004 0.000 0.356 472 F C 1.032 176.855 175.800 0.037 0.000 1.099 472 F CA -0.114 57.909 58.000 0.038 0.000 1.185 472 F CB 0.637 39.668 39.000 0.051 0.000 1.115 472 F HN -0.119 8.181 8.300 -0.000 0.000 0.526 473 R N 2.199 122.789 120.500 0.150 0.000 2.673 473 R HA 0.512 4.854 4.340 0.004 0.000 0.281 473 R C -1.614 174.796 176.300 0.183 0.000 0.991 473 R CA -0.988 55.202 56.100 0.149 0.000 0.896 473 R CB 1.885 32.253 30.300 0.114 0.000 1.201 473 R HN 0.331 8.601 8.270 -0.000 0.000 0.457 474 V N 2.913 122.911 119.914 0.140 0.000 2.385 474 V HA 0.127 4.249 4.120 0.004 0.000 0.269 474 V C 0.464 176.714 176.094 0.261 0.000 1.043 474 V CA -0.416 61.981 62.300 0.161 0.000 0.906 474 V CB 1.015 32.870 31.823 0.054 0.000 0.995 474 V HN 0.735 8.925 8.190 -0.000 0.000 0.467 475 W N 2.310 123.656 121.300 0.076 0.000 2.467 475 W HA 0.019 4.682 4.660 0.004 0.000 0.275 475 W C 1.056 177.643 176.519 0.112 0.000 1.239 475 W CA -0.332 57.151 57.345 0.229 0.000 1.266 475 W CB -0.693 29.027 29.460 0.433 0.000 1.112 475 W HN 0.528 8.708 8.180 -0.000 0.000 0.576 476 N N 0.102 118.828 118.700 0.044 0.000 2.454 476 N HA -0.008 4.734 4.740 0.004 0.000 0.254 476 N C 1.358 176.684 175.510 -0.306 0.000 1.228 476 N CA 0.927 53.667 53.050 -0.517 0.000 0.900 476 N CB 0.728 39.022 38.487 -0.322 0.000 1.089 476 N HN -0.088 8.292 8.380 -0.000 0.000 0.449 477 S N 1.157 116.645 115.700 -0.354 0.000 2.395 477 S HA -0.048 4.424 4.470 0.004 0.000 0.225 477 S C 0.330 174.821 174.600 -0.183 0.000 1.027 477 S CA 0.652 58.746 58.200 -0.176 0.000 0.965 477 S CB 0.055 63.200 63.200 -0.091 0.000 0.812 477 S HN 0.647 8.957 8.310 -0.000 0.000 0.482 478 Q N -0.448 119.223 119.800 -0.215 0.000 2.397 478 Q HA 0.524 4.866 4.340 0.004 0.000 0.275 478 Q C 0.352 176.197 176.000 -0.259 0.000 1.090 478 Q CA -0.518 55.152 55.803 -0.221 0.000 0.809 478 Q CB 2.070 30.719 28.738 -0.147 0.000 1.362 478 Q HN 0.123 8.393 8.270 -0.000 0.000 0.431 479 L N 0.778 121.846 121.223 -0.259 0.000 2.042 479 L HA -0.070 4.272 4.340 0.004 0.000 0.210 479 L C 0.541 177.243 176.870 -0.280 0.000 1.076 479 L CA 1.419 56.118 54.840 -0.234 0.000 0.749 479 L CB -0.109 41.809 42.059 -0.234 0.000 0.893 479 L HN 0.516 8.746 8.230 -0.000 0.000 0.432 480 I N -0.323 119.997 120.570 -0.417 0.000 2.389 480 I HA 0.363 4.536 4.170 0.004 0.000 0.288 480 I C -0.278 175.262 176.117 -0.962 0.000 0.999 480 I CA -0.320 60.581 61.300 -0.664 0.000 1.129 480 I CB 1.534 39.062 38.000 -0.786 0.000 1.288 480 I HN 0.070 8.280 8.210 -0.000 0.000 0.444 481 R N 4.184 124.246 120.500 -0.731 0.000 2.716 481 R HA 0.484 4.826 4.340 0.004 0.000 0.271 481 R C -1.735 174.324 176.300 -0.401 0.000 1.028 481 R CA -1.076 54.690 56.100 -0.556 0.000 0.883 481 R CB 2.255 32.438 30.300 -0.195 0.000 1.250 481 R HN 0.378 8.648 8.270 -0.000 0.000 0.465 482 Y N 0.335 120.673 120.300 0.063 0.000 2.334 482 Y HA 0.463 5.015 4.550 0.004 0.000 0.328 482 Y C 0.846 176.807 175.900 0.103 0.000 1.130 482 Y CA -0.739 57.449 58.100 0.147 0.000 1.163 482 Y CB 1.603 40.250 38.460 0.312 0.000 1.207 482 Y HN 0.654 8.934 8.280 -0.000 0.000 0.471 483 A N 1.925 124.896 122.820 0.252 0.000 2.448 483 A HA 0.514 4.836 4.320 0.004 0.000 0.239 483 A C 0.506 177.995 177.584 -0.158 0.000 1.080 483 A CA 0.414 52.441 52.037 -0.018 0.000 0.779 483 A CB -0.262 18.717 19.000 -0.034 0.000 1.026 483 A HN 0.896 9.046 8.150 -0.000 0.000 0.499 484 G N -0.545 108.031 108.800 -0.373 0.000 2.617 484 G HA2 0.589 4.552 3.960 0.004 0.000 0.306 484 G HA3 0.589 4.552 3.960 0.004 0.000 0.306 484 G C -1.468 173.164 174.900 -0.447 0.000 1.360 484 G CA -0.331 44.593 45.100 -0.293 0.000 0.983 484 G HN 0.554 8.844 8.290 -0.000 0.000 0.496 485 Y N 0.749 121.062 120.300 0.022 0.000 2.346 485 Y HA 0.479 5.031 4.550 0.004 0.000 0.332 485 Y C 0.273 176.170 175.900 -0.006 0.000 0.985 485 Y CA -1.115 56.994 58.100 0.016 0.000 1.112 485 Y CB 2.572 41.041 38.460 0.016 0.000 1.170 485 Y HN 0.429 8.709 8.280 -0.000 0.000 0.447 486 K N 3.349 123.822 120.400 0.121 0.000 2.297 486 K HA 0.245 4.567 4.320 0.004 0.000 0.286 486 K C -0.361 176.278 176.600 0.065 0.000 1.053 486 K CA -0.260 56.067 56.287 0.066 0.000 0.940 486 K CB 0.543 33.065 32.500 0.037 0.000 1.019 486 K HN 0.519 8.769 8.250 -0.000 0.000 0.475 487 Q N 4.226 124.052 119.800 0.043 0.000 2.212 487 Q HA 0.208 4.551 4.340 0.004 0.000 0.238 487 Q C -1.674 174.333 176.000 0.012 0.000 0.955 487 Q CA -1.972 53.844 55.803 0.023 0.000 0.906 487 Q CB 0.497 29.241 28.738 0.011 0.000 1.215 487 Q HN 0.448 8.718 8.270 -0.000 0.000 0.478 488 P HA -0.185 4.235 4.420 -0.000 0.000 0.216 488 P C 0.546 177.846 177.300 0.000 0.000 1.150 488 P CA 1.535 64.635 63.100 -0.000 0.000 0.843 488 P CB 0.113 31.809 31.700 -0.007 0.000 0.787 489 D N -1.690 118.709 120.400 -0.001 0.000 2.378 489 D HA 0.011 4.654 4.640 0.004 0.000 0.227 489 D C 1.446 177.748 176.300 0.002 0.000 1.012 489 D CA 0.985 54.985 54.000 -0.001 0.000 0.905 489 D CB -0.991 39.807 40.800 -0.004 0.000 0.895 489 D HN 0.283 8.653 8.370 -0.000 0.000 0.532 490 G N -0.202 108.601 108.800 0.006 0.000 2.195 490 G HA2 -0.284 3.679 3.960 0.004 0.000 0.246 490 G HA3 -0.284 3.679 3.960 0.004 0.000 0.246 490 G C 0.427 175.332 174.900 0.009 0.000 0.984 490 G CA 0.433 45.538 45.100 0.008 0.000 0.633 490 G HN 0.868 9.158 8.290 -0.000 0.000 0.525 491 S N -0.221 115.484 115.700 0.008 0.000 2.614 491 S HA 0.684 5.156 4.470 0.004 0.000 0.265 491 S C 0.048 174.656 174.600 0.013 0.000 1.303 491 S CA 0.626 58.831 58.200 0.008 0.000 1.000 491 S CB 1.883 65.086 63.200 0.005 0.000 0.935 491 S HN 0.616 8.926 8.310 -0.000 0.000 0.551 492 T N 2.303 116.861 114.554 0.007 0.000 2.807 492 T HA 0.488 4.840 4.350 0.004 0.000 0.279 492 T C -0.748 173.959 174.700 0.011 0.000 0.993 492 T CA -0.544 61.562 62.100 0.010 0.000 0.970 492 T CB 1.066 69.921 68.868 -0.021 0.000 0.950 492 T HN 0.595 8.835 8.240 -0.000 0.000 0.441 493 L N 3.773 125.038 121.223 0.070 0.000 2.289 493 L HA 0.719 5.061 4.340 0.004 0.000 0.285 493 L C 0.743 177.679 176.870 0.110 0.000 1.049 493 L CA 1.133 56.027 54.840 0.090 0.000 0.804 493 L CB -0.192 41.943 42.059 0.127 0.000 1.195 493 L HN 0.983 9.213 8.230 -0.000 0.000 0.428 494 G N 4.173 112.961 108.800 -0.019 0.000 2.512 494 G HA2 -0.239 3.724 3.960 0.004 0.000 0.240 494 G HA3 -0.239 3.724 3.960 0.004 0.000 0.240 494 G C -0.688 173.915 174.900 -0.496 0.000 1.246 494 G CA 0.051 45.081 45.100 -0.116 0.000 0.919 494 G HN 0.884 9.174 8.290 -0.000 0.000 0.577 495 D N 1.531 121.730 120.400 -0.335 0.000 2.347 495 D HA 0.539 5.181 4.640 0.004 0.000 0.235 495 D C -0.926 175.274 176.300 -0.166 0.000 1.149 495 D CA -1.980 51.780 54.000 -0.399 0.000 0.850 495 D CB 1.337 42.232 40.800 0.159 0.000 1.061 495 D HN -0.004 8.366 8.370 -0.000 0.000 0.487 496 P HA -0.084 4.336 4.420 -0.000 0.000 0.219 496 P C 0.955 178.254 177.300 -0.003 0.000 1.146 496 P CA 0.912 63.972 63.100 -0.068 0.000 0.808 496 P CB 0.224 31.889 31.700 -0.057 0.000 0.779 497 A N -0.289 122.553 122.820 0.037 0.000 2.070 497 A HA -0.158 4.164 4.320 0.004 0.000 0.220 497 A C 1.739 179.372 177.584 0.082 0.000 1.159 497 A CA 1.495 53.579 52.037 0.079 0.000 0.656 497 A CB -0.921 18.155 19.000 0.127 0.000 0.800 497 A HN 0.172 8.322 8.150 -0.000 0.000 0.453 498 N N -0.527 118.212 118.700 0.065 0.000 2.214 498 N HA 0.127 4.870 4.740 0.004 0.000 0.214 498 N C 1.213 176.737 175.510 0.024 0.000 1.132 498 N CA 0.295 53.391 53.050 0.077 0.000 0.856 498 N CB 0.534 39.079 38.487 0.097 0.000 1.020 498 N HN 0.212 8.592 8.380 -0.000 0.000 0.509 499 V N 1.372 121.279 119.914 -0.012 0.000 2.231 499 V HA -0.307 3.816 4.120 0.004 0.000 0.248 499 V C 2.647 178.707 176.094 -0.057 0.000 1.054 499 V CA 1.933 64.205 62.300 -0.047 0.000 1.015 499 V CB -0.488 31.321 31.823 -0.024 0.000 0.638 499 V HN 0.366 8.556 8.190 -0.000 0.000 0.444 500 Q N -0.991 118.783 119.800 -0.044 0.000 2.061 500 Q HA -0.276 4.066 4.340 0.004 0.000 0.204 500 Q C 2.174 178.028 176.000 -0.244 0.000 0.984 500 Q CA 2.508 58.236 55.803 -0.125 0.000 0.846 500 Q CB -0.279 28.399 28.738 -0.100 0.000 0.902 500 Q HN 0.629 8.899 8.270 -0.000 0.000 0.421 501 F N 0.877 120.630 119.950 -0.329 0.000 2.134 501 F HA -0.195 4.335 4.527 0.004 0.000 0.299 501 F C 2.145 177.807 175.800 -0.229 0.000 1.097 501 F CA 1.983 59.764 58.000 -0.365 0.000 1.264 501 F CB -0.571 38.301 39.000 -0.214 0.000 1.001 501 F HN 0.039 8.339 8.300 -0.000 0.000 0.479 502 T N 0.113 114.546 114.554 -0.202 0.000 2.684 502 T HA -0.246 4.107 4.350 0.004 0.000 0.267 502 T C 1.720 176.320 174.700 -0.166 0.000 1.036 502 T CA 1.927 63.899 62.100 -0.214 0.000 1.148 502 T CB -0.427 68.327 68.868 -0.189 0.000 0.863 502 T HN 0.376 8.616 8.240 -0.000 0.000 0.436 503 E N 0.421 120.531 120.200 -0.149 0.000 2.097 503 E HA -0.106 4.247 4.350 0.004 0.000 0.196 503 E C 2.140 178.640 176.600 -0.166 0.000 1.000 503 E CA 1.025 57.359 56.400 -0.111 0.000 0.804 503 E CB -0.319 29.323 29.700 -0.096 0.000 0.740 503 E HN 0.500 8.860 8.360 -0.000 0.000 0.454 504 I N 0.383 120.778 120.570 -0.292 0.000 2.202 504 I HA -0.327 3.845 4.170 0.004 0.000 0.242 504 I C 2.443 178.389 176.117 -0.284 0.000 1.091 504 I CA 0.629 61.761 61.300 -0.281 0.000 1.368 504 I CB -0.327 37.477 38.000 -0.326 0.000 1.058 504 I HN 0.271 8.481 8.210 -0.000 0.000 0.410 505 C N 0.994 120.024 119.300 -0.450 0.000 2.376 505 C HA -0.218 4.244 4.460 0.004 0.000 0.275 505 C C 2.748 177.728 174.990 -0.017 0.000 1.200 505 C CA 0.964 59.782 59.018 -0.333 0.000 1.756 505 C CB -0.938 26.492 27.740 -0.516 0.000 2.050 505 C HN 0.432 8.662 8.230 -0.000 0.000 0.460 506 I N 0.115 120.737 120.570 0.087 0.000 2.163 506 I HA -0.300 3.873 4.170 0.004 0.000 0.243 506 I C 2.784 178.906 176.117 0.009 0.000 1.085 506 I CA 1.789 63.162 61.300 0.123 0.000 1.347 506 I CB -0.691 37.377 38.000 0.113 0.000 1.044 506 I HN 0.495 8.705 8.210 -0.000 0.000 0.408 507 Q N 0.456 120.226 119.800 -0.049 0.000 2.124 507 Q HA -0.245 4.097 4.340 0.004 0.000 0.202 507 Q C 2.040 177.983 176.000 -0.095 0.000 0.977 507 Q CA 1.276 57.029 55.803 -0.083 0.000 0.850 507 Q CB 0.092 28.761 28.738 -0.115 0.000 0.901 507 Q HN 0.482 8.752 8.270 -0.000 0.000 0.429 508 Q N -1.260 118.480 119.800 -0.099 0.000 2.488 508 Q HA 0.006 4.348 4.340 0.004 0.000 0.211 508 Q C 1.071 177.026 176.000 -0.074 0.000 0.967 508 Q CA 1.133 56.872 55.803 -0.106 0.000 0.926 508 Q CB 0.676 29.328 28.738 -0.143 0.000 0.992 508 Q HN 0.611 8.881 8.270 -0.000 0.000 0.506 509 G N -0.410 108.373 108.800 -0.029 0.000 2.183 509 G HA2 -0.194 3.769 3.960 0.004 0.000 0.168 509 G HA3 -0.194 3.769 3.960 0.004 0.000 0.168 509 G C -0.598 174.330 174.900 0.047 0.000 1.008 509 G CA -0.303 44.787 45.100 -0.016 0.000 0.677 509 G HN 0.268 8.558 8.290 -0.000 0.000 0.498 510 W N 3.636 124.867 121.300 -0.115 0.000 2.308 510 W HA 0.589 5.251 4.660 0.004 0.000 0.324 510 W C 0.193 176.682 176.519 -0.051 0.000 1.387 510 W CA -0.643 56.650 57.345 -0.088 0.000 1.250 510 W CB 0.693 30.098 29.460 -0.092 0.000 1.257 510 W HN -0.060 8.120 8.180 -0.000 0.000 0.554 511 K N 6.623 126.732 120.400 -0.486 0.000 2.263 511 K HA 0.418 4.740 4.320 0.004 0.000 0.282 511 K C -0.119 175.855 176.600 -1.043 0.000 1.089 511 K CA -0.264 55.695 56.287 -0.546 0.000 0.907 511 K CB 0.444 32.754 32.500 -0.316 0.000 1.148 511 K HN 0.498 8.748 8.250 -0.000 0.000 0.470 512 A N 4.725 126.960 122.820 -0.975 0.000 2.362 512 A HA 0.361 4.684 4.320 0.004 0.000 0.276 512 A C -1.441 175.810 177.584 -0.554 0.000 1.153 512 A CA -1.119 50.236 52.037 -1.137 0.000 0.813 512 A CB 0.296 18.993 19.000 -0.504 0.000 1.081 512 A HN 0.360 8.510 8.150 -0.000 0.000 0.507 513 P HA -0.013 4.407 4.420 -0.000 0.000 0.233 513 P C -0.138 177.034 177.300 -0.214 0.000 1.167 513 P CA 0.097 63.083 63.100 -0.191 0.000 0.770 513 P CB 0.055 31.732 31.700 -0.037 0.000 0.837 514 R N -1.053 119.236 120.500 -0.352 0.000 3.264 514 R HA -0.103 4.239 4.340 0.004 0.000 0.251 514 R C 0.603 176.694 176.300 -0.349 0.000 0.971 514 R CA 0.361 55.999 56.100 -0.770 0.000 0.658 514 R CB -2.433 27.453 30.300 -0.691 0.000 1.095 514 R HN 0.349 8.619 8.270 -0.000 0.000 0.443 515 G N -0.616 108.152 108.800 -0.052 0.000 2.932 515 G HA2 0.431 4.393 3.960 0.004 0.000 0.283 515 G HA3 0.431 4.393 3.960 0.004 0.000 0.283 515 G C 0.248 175.227 174.900 0.132 0.000 1.336 515 G CA -0.614 44.515 45.100 0.049 0.000 1.056 515 G HN 0.219 8.509 8.290 -0.000 0.000 0.522 516 R N -1.498 119.028 120.500 0.042 0.000 2.153 516 R HA 0.165 4.507 4.340 0.004 0.000 0.218 516 R C -0.116 175.900 176.300 -0.474 0.000 1.072 516 R CA 0.890 56.892 56.100 -0.162 0.000 0.990 516 R CB -0.119 30.035 30.300 -0.242 0.000 0.889 516 R HN 0.328 8.598 8.270 -0.000 0.000 0.452 517 F N 1.067 121.050 119.950 0.055 0.000 2.584 517 F HA 0.303 4.832 4.527 0.004 0.000 0.328 517 F C -1.098 174.788 175.800 0.143 0.000 1.407 517 F CA -1.164 56.682 58.000 -0.256 0.000 1.145 517 F CB 0.950 39.535 39.000 -0.692 0.000 1.440 517 F HN -0.203 8.097 8.300 -0.000 0.000 0.580 518 D N 1.661 122.352 120.400 0.485 0.000 2.274 518 D HA 0.252 4.895 4.640 0.004 0.000 0.239 518 D C 0.065 176.701 176.300 0.560 0.000 1.104 518 D CA -0.091 54.222 54.000 0.521 0.000 0.840 518 D CB 2.541 43.692 40.800 0.585 0.000 1.100 518 D HN -0.021 8.349 8.370 -0.000 0.000 0.477 519 V N 3.555 123.732 119.914 0.439 0.000 2.521 519 V HA 0.035 4.158 4.120 0.004 0.000 0.286 519 V C 0.967 177.118 176.094 0.095 0.000 1.034 519 V CA -0.368 62.052 62.300 0.199 0.000 1.045 519 V CB 0.328 32.215 31.823 0.106 0.000 0.974 519 V HN 0.350 8.540 8.190 -0.000 0.000 0.480 520 L N 8.241 129.417 121.223 -0.079 0.000 2.452 520 L HA 0.303 4.646 4.340 0.004 0.000 0.267 520 L C -1.658 175.026 176.870 -0.310 0.000 1.188 520 L CA -1.312 53.340 54.840 -0.314 0.000 0.821 520 L CB 0.692 42.663 42.059 -0.148 0.000 1.102 520 L HN 0.491 8.721 8.230 -0.000 0.000 0.470 521 P HA 0.158 4.578 4.420 -0.000 0.000 0.276 521 P C -0.890 176.348 177.300 -0.104 0.000 1.252 521 P CA -0.473 62.437 63.100 -0.317 0.000 0.802 521 P CB 0.774 32.151 31.700 -0.537 0.000 1.035 522 L N 1.188 122.429 121.223 0.030 0.000 2.397 522 L HA 0.268 4.610 4.340 0.004 0.000 0.271 522 L C 0.503 177.453 176.870 0.133 0.000 1.148 522 L CA -0.582 54.334 54.840 0.126 0.000 0.825 522 L CB 0.227 42.412 42.059 0.210 0.000 1.117 522 L HN 0.263 8.493 8.230 -0.000 0.000 0.456 523 L N 5.168 126.502 121.223 0.184 0.000 2.372 523 L HA 0.541 4.883 4.340 0.004 0.000 0.273 523 L C -1.012 175.884 176.870 0.043 0.000 0.989 523 L CA 0.030 54.911 54.840 0.068 0.000 0.841 523 L CB 1.126 43.243 42.059 0.095 0.000 1.225 523 L HN 0.373 8.603 8.230 -0.000 0.000 0.414 524 L N 4.555 125.769 121.223 -0.015 0.000 2.385 524 L HA 0.594 4.936 4.340 0.004 0.000 0.273 524 L C -0.595 176.211 176.870 -0.106 0.000 0.990 524 L CA -0.569 54.275 54.840 0.007 0.000 0.821 524 L CB 2.036 44.135 42.059 0.065 0.000 1.279 524 L HN 0.596 8.826 8.230 -0.000 0.000 0.412 525 Q N 2.842 122.587 119.800 -0.091 0.000 2.341 525 Q HA 0.750 5.092 4.340 0.004 0.000 0.268 525 Q C -1.397 174.457 176.000 -0.244 0.000 1.013 525 Q CA -0.553 55.157 55.803 -0.155 0.000 0.798 525 Q CB 2.109 30.860 28.738 0.020 0.000 1.253 525 Q HN 0.775 9.045 8.270 -0.000 0.000 0.457 526 A N 4.140 126.738 122.820 -0.370 0.000 2.330 526 A HA 0.395 4.718 4.320 0.004 0.000 0.327 526 A C 0.146 177.174 177.584 -0.928 0.000 1.155 526 A CA -0.394 51.105 52.037 -0.897 0.000 0.803 526 A CB 0.766 19.511 19.000 -0.425 0.000 1.208 526 A HN 1.114 9.264 8.150 -0.000 0.000 0.477 527 N N 0.805 118.575 118.700 -1.550 0.000 2.721 527 N HA -0.250 4.492 4.740 0.004 0.000 0.249 527 N C 1.012 176.387 175.510 -0.224 0.000 1.072 527 N CA 1.368 54.108 53.050 -0.515 0.000 0.710 527 N CB -0.694 37.686 38.487 -0.178 0.000 0.993 527 N HN 2.218 10.598 8.380 -0.000 0.000 0.547 528 G N -1.130 107.530 108.800 -0.233 0.000 2.189 528 G HA2 -0.340 3.622 3.960 0.004 0.000 0.267 528 G HA3 -0.340 3.622 3.960 0.004 0.000 0.267 528 G C 0.228 175.085 174.900 -0.073 0.000 0.975 528 G CA 0.626 45.644 45.100 -0.136 0.000 0.644 528 G HN 0.607 8.897 8.290 -0.000 0.000 0.537 529 N N 1.192 119.820 118.700 -0.121 0.000 2.354 529 N HA 0.267 5.009 4.740 0.004 0.000 0.246 529 N C -0.019 175.450 175.510 -0.068 0.000 1.285 529 N CA -0.208 52.805 53.050 -0.062 0.000 0.925 529 N CB 0.290 38.734 38.487 -0.073 0.000 1.174 529 N HN 0.173 8.553 8.380 -0.000 0.000 0.478 530 D N 1.344 121.728 120.400 -0.027 0.000 2.472 530 D HA 0.096 4.738 4.640 0.004 0.000 0.237 530 D C -1.815 174.302 176.300 -0.304 0.000 1.141 530 D CA -0.421 53.488 54.000 -0.152 0.000 0.875 530 D CB 0.119 40.988 40.800 0.116 0.000 1.192 530 D HN 0.279 8.649 8.370 -0.000 0.000 0.450 531 P HA 0.159 4.579 4.420 -0.000 0.000 0.274 531 P C -0.658 176.419 177.300 -0.372 0.000 1.237 531 P CA -0.254 62.487 63.100 -0.598 0.000 0.793 531 P CB 1.157 32.072 31.700 -1.308 0.000 0.977 532 E N 0.511 120.549 120.200 -0.271 0.000 2.288 532 E HA 0.456 4.808 4.350 0.004 0.000 0.268 532 E C -0.603 175.712 176.600 -0.475 0.000 0.885 532 E CA -0.945 55.251 56.400 -0.340 0.000 0.767 532 E CB 1.704 31.216 29.700 -0.312 0.000 1.220 532 E HN 0.344 8.704 8.360 -0.000 0.000 0.427 533 L N 2.676 123.521 121.223 -0.630 0.000 2.350 533 L HA 0.468 4.810 4.340 0.004 0.000 0.275 533 L C -0.884 175.385 176.870 -1.001 0.000 1.099 533 L CA -0.151 54.353 54.840 -0.560 0.000 0.808 533 L CB 0.270 42.127 42.059 -0.337 0.000 1.149 533 L HN 0.443 8.673 8.230 -0.000 0.000 0.442 534 F N 0.740 120.505 119.950 -0.308 0.000 2.591 534 F HA 0.312 4.842 4.527 0.004 0.000 0.309 534 F C -0.125 175.510 175.800 -0.275 0.000 1.098 534 F CA -0.664 57.034 58.000 -0.504 0.000 0.937 534 F CB 1.775 40.199 39.000 -0.960 0.000 1.250 534 F HN 0.350 8.650 8.300 -0.000 0.000 0.447 535 Q N 3.809 123.589 119.800 -0.034 0.000 2.303 535 Q HA 0.486 4.828 4.340 0.004 0.000 0.257 535 Q C -0.620 175.538 176.000 0.264 0.000 0.941 535 Q CA -0.544 55.325 55.803 0.111 0.000 0.931 535 Q CB 0.977 29.794 28.738 0.132 0.000 1.215 535 Q HN 0.695 8.965 8.270 -0.000 0.000 0.437 536 I N 6.954 127.693 120.570 0.281 0.000 2.683 536 I HA 0.026 4.199 4.170 0.004 0.000 0.286 536 I C -1.909 174.333 176.117 0.208 0.000 1.175 536 I CA -1.647 59.828 61.300 0.291 0.000 1.429 536 I CB 0.328 38.409 38.000 0.134 0.000 1.371 536 I HN 0.477 8.687 8.210 -0.000 0.000 0.569 537 P HA 0.031 4.451 4.420 -0.000 0.000 0.261 537 P C -2.090 175.268 177.300 0.098 0.000 1.183 537 P CA -0.891 62.293 63.100 0.140 0.000 0.761 537 P CB 0.076 31.843 31.700 0.111 0.000 0.785 538 P HA -0.191 4.229 4.420 -0.000 0.000 0.218 538 P C 1.370 178.709 177.300 0.066 0.000 1.148 538 P CA 1.248 64.400 63.100 0.087 0.000 0.822 538 P CB -0.183 31.573 31.700 0.093 0.000 0.784 539 E N -0.323 119.911 120.200 0.058 0.000 2.333 539 E HA -0.139 4.214 4.350 0.004 0.000 0.198 539 E C 1.329 177.950 176.600 0.034 0.000 1.007 539 E CA 1.076 57.501 56.400 0.042 0.000 0.845 539 E CB -0.947 28.776 29.700 0.037 0.000 0.766 539 E HN 0.213 8.573 8.360 -0.000 0.000 0.507 540 L N 1.023 122.268 121.223 0.036 0.000 2.418 540 L HA 0.066 4.408 4.340 0.004 0.000 0.218 540 L C 0.730 177.617 176.870 0.029 0.000 1.125 540 L CA 0.433 55.288 54.840 0.025 0.000 0.835 540 L CB 0.235 42.300 42.059 0.011 0.000 0.953 540 L HN -0.098 8.132 8.230 -0.000 0.000 0.454 541 V N 1.678 121.614 119.914 0.037 0.000 2.304 541 V HA 0.174 4.296 4.120 0.004 0.000 0.262 541 V C 0.049 176.175 176.094 0.053 0.000 1.061 541 V CA -0.782 61.539 62.300 0.036 0.000 0.872 541 V CB 0.976 32.818 31.823 0.031 0.000 1.077 541 V HN -0.014 8.176 8.190 -0.000 0.000 0.480 542 L N 5.873 127.131 121.223 0.057 0.000 2.360 542 L HA 0.437 4.779 4.340 0.004 0.000 0.276 542 L C 0.165 177.073 176.870 0.063 0.000 1.121 542 L CA 0.727 55.592 54.840 0.043 0.000 0.845 542 L CB 0.352 42.429 42.059 0.030 0.000 1.143 542 L HN 0.665 8.895 8.230 -0.000 0.000 0.452 543 E N 3.340 123.557 120.200 0.029 0.000 2.343 543 E HA 0.609 4.961 4.350 0.004 0.000 0.270 543 E C -1.520 175.041 176.600 -0.064 0.000 0.895 543 E CA -0.970 55.453 56.400 0.038 0.000 0.767 543 E CB 2.540 32.300 29.700 0.099 0.000 1.248 543 E HN 0.352 8.712 8.360 -0.000 0.000 0.440 544 V N 2.725 122.581 119.914 -0.097 0.000 2.443 544 V HA 0.317 4.440 4.120 0.004 0.000 0.293 544 V C -2.473 173.606 176.094 -0.025 0.000 1.021 544 V CA -2.104 60.094 62.300 -0.171 0.000 0.848 544 V CB 1.356 32.869 31.823 -0.517 0.000 0.998 544 V HN 0.532 8.722 8.190 -0.000 0.000 0.424 545 P HA 0.282 4.702 4.420 -0.000 0.000 0.276 545 P C -0.688 176.664 177.300 0.086 0.000 1.235 545 P CA -0.171 62.940 63.100 0.020 0.000 0.772 545 P CB 0.500 32.208 31.700 0.014 0.000 0.871 546 I N 4.635 125.296 120.570 0.153 0.000 2.315 546 I HA 0.342 4.514 4.170 0.004 0.000 0.291 546 I C 1.063 177.369 176.117 0.314 0.000 1.006 546 I CA -0.309 61.145 61.300 0.256 0.000 1.265 546 I CB 0.256 38.484 38.000 0.380 0.000 1.387 546 I HN 0.454 8.664 8.210 -0.000 0.000 0.475 547 R N 5.273 125.917 120.500 0.240 0.000 2.905 547 R HA 0.545 4.887 4.340 0.004 0.000 0.260 547 R C -1.210 175.133 176.300 0.070 0.000 1.086 547 R CA -0.698 55.553 56.100 0.252 0.000 0.978 547 R CB 2.183 32.616 30.300 0.221 0.000 1.215 547 R HN 0.592 8.862 8.270 -0.000 0.000 0.480 548 H N 1.015 119.990 119.070 -0.158 0.000 2.538 548 H HA 0.307 4.865 4.556 0.004 0.000 0.353 548 H C -1.834 173.175 175.328 -0.532 0.000 1.109 548 H CA -2.035 53.743 56.048 -0.450 0.000 1.192 548 H CB 2.642 32.051 29.762 -0.588 0.000 1.555 548 H HN 0.310 8.590 8.280 -0.000 0.000 0.518 549 P HA -0.077 4.343 4.420 -0.000 0.000 0.220 549 P C 0.478 177.462 177.300 -0.527 0.000 1.148 549 P CA 1.248 63.633 63.100 -1.192 0.000 0.803 549 P CB 0.737 31.595 31.700 -1.405 0.000 0.782 550 K N -2.139 118.052 120.400 -0.349 0.000 2.387 550 K HA 0.152 4.474 4.320 0.004 0.000 0.197 550 K C 0.177 176.674 176.600 -0.172 0.000 1.127 550 K CA 0.120 56.240 56.287 -0.278 0.000 0.950 550 K CB 0.275 32.504 32.500 -0.452 0.000 1.017 550 K HN 0.016 8.266 8.250 -0.000 0.000 0.519 551 F N 2.321 122.192 119.950 -0.132 0.000 2.335 551 F HA 0.119 4.648 4.527 0.004 0.000 0.365 551 F C 1.093 176.557 175.800 -0.560 0.000 1.122 551 F CA -1.711 55.918 58.000 -0.618 0.000 1.151 551 F CB 0.801 39.002 39.000 -1.331 0.000 1.282 551 F HN -0.007 8.293 8.300 -0.000 0.000 0.513 552 D N 3.650 123.964 120.400 -0.143 0.000 2.219 552 D HA -0.176 4.466 4.640 0.004 0.000 0.205 552 D C 1.939 178.264 176.300 0.041 0.000 0.970 552 D CA 1.143 55.134 54.000 -0.014 0.000 0.851 552 D CB 0.000 40.844 40.800 0.073 0.000 0.943 552 D HN 0.622 8.992 8.370 -0.000 0.000 0.488 553 W N -0.731 120.667 121.300 0.163 0.000 2.937 553 W HA 0.024 4.686 4.660 0.004 0.000 0.245 553 W C 1.175 177.761 176.519 0.112 0.000 1.306 553 W CA -0.528 56.873 57.345 0.094 0.000 1.470 553 W CB -1.201 28.270 29.460 0.018 0.000 1.132 553 W HN -0.086 8.094 8.180 -0.000 0.000 0.675 554 F N 3.868 123.690 119.950 -0.213 0.000 2.134 554 F HA -0.216 4.313 4.527 0.004 0.000 0.299 554 F C 2.694 178.548 175.800 0.090 0.000 1.097 554 F CA 3.004 60.949 58.000 -0.092 0.000 1.264 554 F CB -0.238 38.614 39.000 -0.246 0.000 1.001 554 F HN -0.139 8.161 8.300 -0.000 0.000 0.479 555 K N -0.452 120.116 120.400 0.280 0.000 2.152 555 K HA -0.198 4.124 4.320 0.004 0.000 0.206 555 K C 1.342 178.016 176.600 0.124 0.000 1.048 555 K CA 1.941 58.350 56.287 0.202 0.000 0.933 555 K CB -0.689 31.908 32.500 0.161 0.000 0.721 555 K HN 0.232 8.482 8.250 -0.000 0.000 0.447 556 D N 1.402 121.881 120.400 0.132 0.000 2.310 556 D HA -0.066 4.576 4.640 0.004 0.000 0.212 556 D C 1.881 178.212 176.300 0.051 0.000 0.965 556 D CA 0.729 54.789 54.000 0.099 0.000 0.879 556 D CB -0.027 40.847 40.800 0.124 0.000 0.921 556 D HN 0.292 8.662 8.370 -0.000 0.000 0.510 557 L N 0.241 121.464 121.223 0.000 0.000 2.349 557 L HA -0.066 4.276 4.340 0.004 0.000 0.220 557 L C 1.641 178.508 176.870 -0.004 0.000 1.130 557 L CA 0.854 55.654 54.840 -0.066 0.000 0.791 557 L CB -0.611 41.293 42.059 -0.259 0.000 0.918 557 L HN 0.109 8.339 8.230 -0.000 0.000 0.444 558 G N 0.445 109.262 108.800 0.028 0.000 2.176 558 G HA2 -0.276 3.686 3.960 0.004 0.000 0.252 558 G HA3 -0.276 3.686 3.960 0.004 0.000 0.252 558 G C 0.065 175.007 174.900 0.070 0.000 1.024 558 G CA -0.103 45.040 45.100 0.071 0.000 0.755 558 G HN 0.247 8.537 8.290 -0.000 0.000 0.507 559 L N -0.343 120.870 121.223 -0.018 0.000 2.375 559 L HA 0.722 5.065 4.340 0.004 0.000 0.271 559 L C 0.694 177.414 176.870 -0.251 0.000 1.107 559 L CA -0.447 54.302 54.840 -0.152 0.000 0.806 559 L CB 1.353 43.299 42.059 -0.187 0.000 1.146 559 L HN 0.474 8.704 8.230 -0.000 0.000 0.447 560 K N 1.082 121.105 120.400 -0.630 0.000 2.522 560 K HA 0.561 4.883 4.320 0.004 0.000 0.275 560 K C -1.795 174.797 176.600 -0.014 0.000 1.006 560 K CA -1.054 55.062 56.287 -0.286 0.000 0.890 560 K CB 2.415 34.712 32.500 -0.339 0.000 1.475 560 K HN 0.538 8.788 8.250 -0.000 0.000 0.441 561 W N 1.708 123.012 121.300 0.006 0.000 3.062 561 W HA 0.373 5.036 4.660 0.004 0.000 0.336 561 W C -1.256 175.375 176.519 0.186 0.000 1.224 561 W CA -0.871 56.558 57.345 0.140 0.000 1.159 561 W CB 1.815 31.256 29.460 -0.033 0.000 1.454 561 W HN 0.718 8.898 8.180 -0.000 0.000 0.569 562 Y N 0.050 120.297 120.300 -0.088 0.000 2.316 562 Y HA 0.596 5.148 4.550 0.004 0.000 0.324 562 Y C 0.969 177.095 175.900 0.376 0.000 1.267 562 Y CA -0.152 57.965 58.100 0.028 0.000 1.311 562 Y CB 0.320 38.660 38.460 -0.199 0.000 1.267 562 Y HN 0.432 8.712 8.280 -0.000 0.000 0.516 563 G N 0.916 109.969 108.800 0.422 0.000 2.494 563 G HA2 0.005 3.968 3.960 0.004 0.000 0.216 563 G HA3 0.005 3.968 3.960 0.004 0.000 0.216 563 G C -0.315 174.954 174.900 0.615 0.000 1.140 563 G CA 0.069 45.470 45.100 0.502 0.000 0.801 563 G HN 0.529 8.819 8.290 -0.000 0.000 0.536 564 L N 2.614 124.154 121.223 0.528 0.000 2.283 564 L HA 0.474 4.817 4.340 0.004 0.000 0.281 564 L C -2.337 174.690 176.870 0.260 0.000 1.033 564 L CA -2.634 52.397 54.840 0.318 0.000 0.848 564 L CB 1.625 43.799 42.059 0.192 0.000 1.226 564 L HN -0.183 8.047 8.230 -0.000 0.000 0.429 565 P HA 0.310 4.730 4.420 -0.000 0.000 0.281 565 P C -1.293 175.910 177.300 -0.160 0.000 1.286 565 P CA -0.241 62.726 63.100 -0.222 0.000 0.772 565 P CB 1.309 32.520 31.700 -0.815 0.000 0.862 566 A N 4.400 127.125 122.820 -0.158 0.000 2.605 566 A HA 0.389 4.711 4.320 0.004 0.000 0.293 566 A C -0.385 176.960 177.584 -0.398 0.000 1.216 566 A CA -0.630 51.243 52.037 -0.272 0.000 0.742 566 A CB 0.749 19.608 19.000 -0.235 0.000 1.170 566 A HN 0.291 8.441 8.150 -0.000 0.000 0.443 567 V N 2.822 122.338 119.914 -0.663 0.000 2.521 567 V HA 0.275 4.397 4.120 0.004 0.000 0.286 567 V C 1.207 176.857 176.094 -0.739 0.000 1.034 567 V CA 1.190 63.046 62.300 -0.741 0.000 1.045 567 V CB 1.106 32.301 31.823 -1.046 0.000 0.974 567 V HN 1.096 9.286 8.190 -0.000 0.000 0.480 568 S N 1.748 117.206 115.700 -0.403 0.000 2.780 568 S HA 0.062 4.535 4.470 0.004 0.000 0.248 568 S C 0.792 175.314 174.600 -0.131 0.000 1.036 568 S CA -0.061 57.989 58.200 -0.249 0.000 1.061 568 S CB -0.084 63.006 63.200 -0.183 0.000 1.037 568 S HN 0.803 9.113 8.310 -0.000 0.000 0.584 569 N N 1.126 119.747 118.700 -0.133 0.000 2.187 569 N HA 0.299 5.041 4.740 0.004 0.000 0.212 569 N C -0.022 175.482 175.510 -0.011 0.000 1.152 569 N CA -0.313 52.697 53.050 -0.067 0.000 0.872 569 N CB -0.217 38.225 38.487 -0.075 0.000 1.025 569 N HN 0.377 8.757 8.380 -0.000 0.000 0.514 570 M N 0.514 120.119 119.600 0.008 0.000 2.471 570 M HA 0.359 4.841 4.480 0.004 0.000 0.309 570 M C -0.459 175.936 176.300 0.159 0.000 1.186 570 M CA -0.878 54.473 55.300 0.084 0.000 1.008 570 M CB 2.169 34.831 32.600 0.102 0.000 1.551 570 M HN 0.024 8.314 8.290 -0.000 0.000 0.477 571 L N 2.598 123.916 121.223 0.158 0.000 2.307 571 L HA 0.530 4.873 4.340 0.004 0.000 0.284 571 L C -1.393 175.609 176.870 0.220 0.000 1.023 571 L CA -0.971 53.969 54.840 0.166 0.000 0.810 571 L CB 1.257 43.365 42.059 0.082 0.000 1.231 571 L HN 0.580 8.810 8.230 -0.000 0.000 0.423 572 L N 5.029 126.398 121.223 0.243 0.000 2.265 572 L HA 0.435 4.777 4.340 0.004 0.000 0.289 572 L C -0.461 176.458 176.870 0.082 0.000 1.033 572 L CA 0.197 55.100 54.840 0.106 0.000 0.814 572 L CB 1.303 43.439 42.059 0.128 0.000 1.203 572 L HN 0.685 8.915 8.230 -0.000 0.000 0.423 573 E N 5.928 126.091 120.200 -0.061 0.000 2.134 573 E HA 0.496 4.849 4.350 0.004 0.000 0.278 573 E C -1.402 175.130 176.600 -0.112 0.000 0.959 573 E CA -0.477 55.890 56.400 -0.055 0.000 0.783 573 E CB 0.883 30.544 29.700 -0.065 0.000 1.095 573 E HN 0.733 9.093 8.360 -0.000 0.000 0.399 574 I N 3.514 124.018 120.570 -0.110 0.000 2.478 574 I HA 0.308 4.481 4.170 0.004 0.000 0.287 574 I C 0.729 176.609 176.117 -0.394 0.000 1.042 574 I CA -0.775 60.328 61.300 -0.329 0.000 1.067 574 I CB 1.976 39.749 38.000 -0.378 0.000 1.233 574 I HN 0.859 9.069 8.210 -0.000 0.000 0.431 575 G N 4.222 112.783 108.800 -0.399 0.000 2.341 575 G HA2 -0.129 3.833 3.960 0.004 0.000 0.292 575 G HA3 -0.129 3.833 3.960 0.004 0.000 0.292 575 G C 1.040 175.984 174.900 0.073 0.000 1.021 575 G CA 0.814 45.876 45.100 -0.064 0.000 0.905 575 G HN 1.578 9.868 8.290 -0.000 0.000 0.508 576 G N -2.108 106.690 108.800 -0.003 0.000 2.199 576 G HA2 -0.242 3.720 3.960 0.004 0.000 0.254 576 G HA3 -0.242 3.720 3.960 0.004 0.000 0.254 576 G C 0.514 175.380 174.900 -0.056 0.000 0.982 576 G CA 0.567 45.673 45.100 0.011 0.000 0.632 576 G HN 1.344 9.634 8.290 -0.000 0.000 0.529 577 L N 0.716 121.849 121.223 -0.150 0.000 2.395 577 L HA 0.581 4.923 4.340 0.004 0.000 0.269 577 L C 0.343 176.997 176.870 -0.360 0.000 1.133 577 L CA -0.437 54.203 54.840 -0.334 0.000 0.812 577 L CB 0.955 42.688 42.059 -0.544 0.000 1.125 577 L HN 0.153 8.383 8.230 -0.000 0.000 0.452 578 E N 2.653 122.582 120.200 -0.452 0.000 2.155 578 E HA 0.348 4.701 4.350 0.004 0.000 0.264 578 E C -1.474 174.883 176.600 -0.405 0.000 0.886 578 E CA -0.352 55.873 56.400 -0.292 0.000 0.752 578 E CB 1.558 31.169 29.700 -0.149 0.000 1.133 578 E HN 0.296 8.656 8.360 -0.000 0.000 0.414 579 F N 1.952 121.886 119.950 -0.027 0.000 2.293 579 F HA 0.087 4.616 4.527 0.004 0.000 0.370 579 F C 1.516 177.356 175.800 0.068 0.000 1.090 579 F CA -0.457 57.549 58.000 0.010 0.000 1.133 579 F CB 1.147 40.139 39.000 -0.014 0.000 1.360 579 F HN 0.418 8.718 8.300 -0.000 0.000 0.489 580 S N 1.287 117.103 115.700 0.194 0.000 2.522 580 S HA 0.264 4.736 4.470 0.004 0.000 0.227 580 S C 0.764 175.483 174.600 0.197 0.000 0.986 580 S CA 0.221 58.517 58.200 0.160 0.000 0.929 580 S CB 0.097 63.362 63.200 0.108 0.000 0.769 580 S HN 0.479 8.789 8.310 -0.000 0.000 0.529 581 A N 1.021 124.011 122.820 0.284 0.000 2.363 581 A HA 0.590 4.912 4.320 0.004 0.000 0.296 581 A C -0.092 177.733 177.584 0.402 0.000 1.237 581 A CA -0.676 51.550 52.037 0.316 0.000 0.773 581 A CB 0.269 19.454 19.000 0.308 0.000 1.153 581 A HN 0.967 9.117 8.150 -0.000 0.000 0.473 582 C N 0.626 120.109 119.300 0.304 0.000 3.327 582 C HA 0.471 4.934 4.460 0.004 0.000 0.192 582 C C -2.819 172.311 174.990 0.234 0.000 1.603 582 C CA -2.006 57.172 59.018 0.267 0.000 1.222 582 C CB -0.385 27.541 27.740 0.310 0.000 1.981 582 C HN 0.540 8.770 8.230 -0.000 0.000 0.563 583 P HA 0.235 4.655 4.420 -0.000 0.000 0.262 583 P C -0.551 176.772 177.300 0.039 0.000 1.182 583 P CA 1.104 64.168 63.100 -0.060 0.000 0.761 583 P CB 0.200 31.846 31.700 -0.090 0.000 0.795 584 F N -0.160 119.722 119.950 -0.113 0.000 2.588 584 F HA 0.777 5.306 4.527 0.004 0.000 0.314 584 F C -0.566 175.147 175.800 -0.145 0.000 1.069 584 F CA -1.250 56.694 58.000 -0.092 0.000 0.931 584 F CB 1.518 40.333 39.000 -0.308 0.000 1.260 584 F HN 0.336 8.636 8.300 -0.000 0.000 0.465 585 S N 0.171 115.958 115.700 0.146 0.000 2.569 585 S HA 0.960 5.432 4.470 0.004 0.000 0.280 585 S C -0.633 173.919 174.600 -0.081 0.000 1.111 585 S CA -0.223 57.992 58.200 0.024 0.000 0.887 585 S CB 1.532 64.825 63.200 0.156 0.000 1.095 585 S HN 1.394 9.704 8.310 -0.000 0.000 0.476 586 G N -0.040 108.664 108.800 -0.159 0.000 3.340 586 G HA2 0.758 4.720 3.960 0.004 0.000 0.176 586 G HA3 0.758 4.720 3.960 0.004 0.000 0.176 586 G C -1.502 173.373 174.900 -0.042 0.000 1.103 586 G CA -0.493 44.434 45.100 -0.287 0.000 0.779 586 G HN 1.038 9.328 8.290 -0.000 0.000 0.673 587 W N -1.696 119.611 121.300 0.012 0.000 3.029 587 W HA 0.802 5.464 4.660 0.004 0.000 0.339 587 W C -1.535 174.991 176.519 0.010 0.000 1.198 587 W CA -2.207 55.163 57.345 0.042 0.000 1.148 587 W CB 0.466 29.998 29.460 0.120 0.000 1.451 587 W HN 0.444 8.624 8.180 -0.000 0.000 0.564 588 Y N 2.286 122.804 120.300 0.362 0.000 2.336 588 Y HA 0.278 4.830 4.550 0.004 0.000 0.331 588 Y C 0.938 176.925 175.900 0.145 0.000 1.211 588 Y CA -0.608 57.577 58.100 0.143 0.000 1.346 588 Y CB 1.286 39.732 38.460 -0.023 0.000 1.271 588 Y HN 0.369 8.649 8.280 -0.000 0.000 0.538 589 M N 2.518 122.282 119.600 0.272 0.000 2.188 589 M HA 0.261 4.743 4.480 0.004 0.000 0.357 589 M C 1.214 177.526 176.300 0.020 0.000 1.204 589 M CA 0.144 55.532 55.300 0.147 0.000 1.095 589 M CB 1.045 33.709 32.600 0.107 0.000 1.604 589 M HN 0.927 9.217 8.290 -0.000 0.000 0.464 590 G N 1.530 110.294 108.800 -0.059 0.000 2.505 590 G HA2 -0.304 3.658 3.960 0.004 0.000 0.220 590 G HA3 -0.304 3.658 3.960 0.004 0.000 0.220 590 G C 1.179 175.932 174.900 -0.245 0.000 1.145 590 G CA 1.710 46.685 45.100 -0.208 0.000 0.761 590 G HN 0.877 9.167 8.290 -0.000 0.000 0.571 591 T N -0.702 113.751 114.554 -0.168 0.000 2.881 591 T HA -0.055 4.297 4.350 0.004 0.000 0.270 591 T C 1.932 176.488 174.700 -0.241 0.000 1.068 591 T CA 1.620 63.581 62.100 -0.231 0.000 1.131 591 T CB -0.308 68.390 68.868 -0.282 0.000 0.871 591 T HN 0.541 8.781 8.240 -0.000 0.000 0.479 592 E N 1.018 121.104 120.200 -0.190 0.000 2.085 592 E HA -0.080 4.272 4.350 0.004 0.000 0.194 592 E C 2.075 178.433 176.600 -0.402 0.000 0.994 592 E CA 1.534 57.834 56.400 -0.167 0.000 0.801 592 E CB -0.366 29.382 29.700 0.080 0.000 0.743 592 E HN 0.616 8.976 8.360 -0.000 0.000 0.453 593 I N 0.104 120.258 120.570 -0.694 0.000 2.385 593 I HA -0.044 4.128 4.170 0.004 0.000 0.244 593 I C 2.593 178.144 176.117 -0.944 0.000 1.089 593 I CA 0.941 61.534 61.300 -1.179 0.000 1.410 593 I CB -0.477 36.617 38.000 -1.511 0.000 1.117 593 I HN 0.093 8.303 8.210 -0.000 0.000 0.429 594 G N 0.620 109.079 108.800 -0.567 0.000 2.408 594 G HA2 -0.105 3.858 3.960 0.004 0.000 0.217 594 G HA3 -0.105 3.858 3.960 0.004 0.000 0.217 594 G C 1.625 176.458 174.900 -0.111 0.000 1.150 594 G CA 0.869 45.831 45.100 -0.231 0.000 0.776 594 G HN 0.203 8.493 8.290 -0.000 0.000 0.542 595 V N 0.379 120.186 119.914 -0.179 0.000 2.341 595 V HA 0.045 4.167 4.120 0.004 0.000 0.240 595 V C 2.838 178.866 176.094 -0.110 0.000 1.035 595 V CA 1.119 63.343 62.300 -0.126 0.000 1.033 595 V CB -0.318 31.405 31.823 -0.167 0.000 0.678 595 V HN 0.127 8.317 8.190 -0.000 0.000 0.464 596 R N 0.577 120.980 120.500 -0.162 0.000 2.052 596 R HA -0.022 4.321 4.340 0.004 0.000 0.226 596 R C 1.984 178.234 176.300 -0.085 0.000 1.145 596 R CA 1.458 57.488 56.100 -0.116 0.000 0.952 596 R CB -1.116 29.111 30.300 -0.122 0.000 0.847 596 R HN 0.487 8.757 8.270 -0.000 0.000 0.431 597 D N 0.145 120.411 120.400 -0.225 0.000 2.117 597 D HA -0.142 4.500 4.640 0.004 0.000 0.197 597 D C 2.025 178.365 176.300 0.066 0.000 0.987 597 D CA 1.300 55.181 54.000 -0.198 0.000 0.829 597 D CB -0.211 40.091 40.800 -0.831 0.000 0.961 597 D HN 0.371 8.741 8.370 -0.000 0.000 0.460 598 Y N -0.445 119.789 120.300 -0.111 0.000 2.397 598 Y HA 0.003 4.556 4.550 0.004 0.000 0.292 598 Y C 2.272 178.222 175.900 0.084 0.000 1.115 598 Y CA 0.080 58.193 58.100 0.021 0.000 1.208 598 Y CB 0.422 38.863 38.460 -0.032 0.000 1.046 598 Y HN 0.018 8.298 8.280 -0.000 0.000 0.552 599 C N -0.989 118.422 119.300 0.185 0.000 3.230 599 C HA 0.157 4.620 4.460 0.004 0.000 0.300 599 C C 0.227 175.263 174.990 0.076 0.000 1.292 599 C CA -0.707 58.385 59.018 0.123 0.000 1.707 599 C CB -0.603 27.185 27.740 0.080 0.000 2.181 599 C HN 0.234 8.463 8.230 -0.000 0.000 0.655 600 D N 1.777 122.213 120.400 0.060 0.000 2.525 600 D HA -0.024 4.618 4.640 0.004 0.000 0.235 600 D C 0.840 177.177 176.300 0.062 0.000 1.137 600 D CA 0.630 54.654 54.000 0.040 0.000 0.868 600 D CB 0.316 41.138 40.800 0.036 0.000 1.180 600 D HN 0.399 8.769 8.370 -0.000 0.000 0.465 601 N N 0.127 118.851 118.700 0.041 0.000 2.205 601 N HA -0.140 4.602 4.740 0.004 0.000 0.186 601 N C 0.863 176.400 175.510 0.046 0.000 1.015 601 N CA 0.778 53.856 53.050 0.046 0.000 0.862 601 N CB 0.121 38.628 38.487 0.033 0.000 0.986 601 N HN 0.130 8.510 8.380 -0.000 0.000 0.429 602 S N -0.155 115.569 115.700 0.040 0.000 2.634 602 S HA 0.213 4.685 4.470 0.004 0.000 0.221 602 S C 0.645 175.269 174.600 0.040 0.000 0.952 602 S CA -0.019 58.202 58.200 0.035 0.000 0.930 602 S CB 0.249 63.468 63.200 0.031 0.000 0.780 602 S HN 0.196 8.506 8.310 -0.000 0.000 0.498 603 R N -0.301 120.238 120.500 0.065 0.000 3.006 603 R HA 0.374 4.717 4.340 0.004 0.000 0.150 603 R C 0.725 177.070 176.300 0.076 0.000 1.285 603 R CA -0.558 55.598 56.100 0.093 0.000 0.813 603 R CB -0.914 29.497 30.300 0.184 0.000 1.582 603 R HN 0.162 8.432 8.270 -0.000 0.000 0.441 604 Y N 1.585 121.997 120.300 0.186 0.000 2.352 604 Y HA -0.060 4.493 4.550 0.004 0.000 0.292 604 Y C 0.795 176.766 175.900 0.119 0.000 1.136 604 Y CA 1.490 59.697 58.100 0.177 0.000 1.227 604 Y CB -0.140 38.492 38.460 0.288 0.000 0.991 604 Y HN 0.567 8.847 8.280 -0.000 0.000 0.545 605 N N 0.740 119.588 118.700 0.248 0.000 2.727 605 N HA -0.214 4.528 4.740 0.004 0.000 0.251 605 N C 0.411 176.011 175.510 0.150 0.000 1.040 605 N CA 0.366 53.511 53.050 0.159 0.000 0.712 605 N CB -1.088 37.463 38.487 0.106 0.000 0.912 605 N HN 0.612 8.992 8.380 -0.000 0.000 0.545 606 I N -2.868 117.798 120.570 0.160 0.000 3.793 606 I HA 0.057 4.229 4.170 0.004 0.000 0.315 606 I C 1.903 178.092 176.117 0.119 0.000 1.275 606 I CA -0.327 61.036 61.300 0.105 0.000 1.214 606 I CB -0.057 37.959 38.000 0.027 0.000 1.018 606 I HN 0.175 8.385 8.210 -0.000 0.000 0.439 607 L N 1.296 122.614 121.223 0.159 0.000 1.997 607 L HA -0.227 4.115 4.340 0.004 0.000 0.216 607 L C 2.755 179.806 176.870 0.301 0.000 1.074 607 L CA 1.957 56.928 54.840 0.219 0.000 0.763 607 L CB -0.622 41.548 42.059 0.186 0.000 0.890 607 L HN 0.360 8.590 8.230 -0.000 0.000 0.434 608 E N -0.471 119.895 120.200 0.277 0.000 2.058 608 E HA -0.295 4.057 4.350 0.004 0.000 0.194 608 E C 2.093 178.703 176.600 0.017 0.000 0.997 608 E CA 1.459 57.956 56.400 0.161 0.000 0.801 608 E CB -0.133 29.618 29.700 0.086 0.000 0.746 608 E HN 0.481 8.841 8.360 -0.000 0.000 0.450 609 E N 0.673 120.880 120.200 0.013 0.000 2.085 609 E HA -0.175 4.178 4.350 0.004 0.000 0.194 609 E C 2.157 178.705 176.600 -0.087 0.000 0.994 609 E CA 1.082 57.449 56.400 -0.055 0.000 0.801 609 E CB 0.205 29.879 29.700 -0.042 0.000 0.743 609 E HN 0.038 8.398 8.360 -0.000 0.000 0.453 610 V N 1.106 121.019 119.914 -0.001 0.000 2.307 610 V HA -0.220 3.902 4.120 0.004 0.000 0.245 610 V C 2.470 178.575 176.094 0.018 0.000 1.045 610 V CA 1.694 64.026 62.300 0.053 0.000 1.024 610 V CB -0.712 31.233 31.823 0.203 0.000 0.651 610 V HN 0.414 8.604 8.190 -0.000 0.000 0.449 611 A N -0.503 122.367 122.820 0.083 0.000 1.940 611 A HA -0.251 4.071 4.320 0.004 0.000 0.219 611 A C 2.306 179.806 177.584 -0.139 0.000 1.176 611 A CA 1.997 54.071 52.037 0.062 0.000 0.631 611 A CB -0.422 18.718 19.000 0.233 0.000 0.814 611 A HN 0.530 8.680 8.150 -0.000 0.000 0.446 612 K N -0.362 119.914 120.400 -0.206 0.000 2.002 612 K HA -0.119 4.204 4.320 0.004 0.000 0.209 612 K C 1.958 178.340 176.600 -0.363 0.000 1.048 612 K CA 1.376 57.501 56.287 -0.270 0.000 0.930 612 K CB -0.128 32.227 32.500 -0.241 0.000 0.714 612 K HN 0.209 8.459 8.250 -0.000 0.000 0.438 613 K N 0.490 120.584 120.400 -0.511 0.000 2.152 613 K HA -0.105 4.218 4.320 0.004 0.000 0.206 613 K C 1.850 177.858 176.600 -0.987 0.000 1.048 613 K CA 1.348 57.063 56.287 -0.952 0.000 0.933 613 K CB -0.150 31.447 32.500 -1.506 0.000 0.721 613 K HN 0.279 8.529 8.250 -0.000 0.000 0.447 614 M N 0.384 119.648 119.600 -0.560 0.000 2.595 614 M HA -0.065 4.418 4.480 0.004 0.000 0.248 614 M C -0.255 175.918 176.300 -0.211 0.000 1.119 614 M CA 0.299 55.418 55.300 -0.302 0.000 1.079 614 M CB -0.234 32.309 32.600 -0.095 0.000 1.472 614 M HN 0.042 8.332 8.290 -0.000 0.000 0.501 615 D N 1.545 121.800 120.400 -0.241 0.000 2.689 615 D HA -0.163 4.479 4.640 0.004 0.000 0.237 615 D C -0.877 175.355 176.300 -0.113 0.000 1.148 615 D CA 0.443 54.338 54.000 -0.176 0.000 0.656 615 D CB -0.943 39.767 40.800 -0.150 0.000 1.050 615 D HN 0.302 8.672 8.370 -0.000 0.000 0.426 616 L N 0.083 121.244 121.223 -0.103 0.000 2.418 616 L HA 0.269 4.612 4.340 0.004 0.000 0.265 616 L C 1.061 177.869 176.870 -0.104 0.000 1.143 616 L CA -0.630 54.186 54.840 -0.041 0.000 0.809 616 L CB 0.518 42.616 42.059 0.064 0.000 1.124 616 L HN 0.084 8.314 8.230 -0.000 0.000 0.456 617 D N 2.436 122.808 120.400 -0.046 0.000 2.342 617 D HA 0.082 4.725 4.640 0.004 0.000 0.260 617 D C 0.311 176.519 176.300 -0.153 0.000 1.278 617 D CA 0.354 54.309 54.000 -0.074 0.000 0.910 617 D CB 0.872 41.671 40.800 -0.003 0.000 1.079 617 D HN 0.386 8.756 8.370 -0.000 0.000 0.496 618 M N 2.946 122.326 119.600 -0.366 0.000 2.383 618 M HA 0.162 4.644 4.480 0.004 0.000 0.247 618 M C 1.675 177.761 176.300 -0.357 0.000 1.117 618 M CA -0.188 54.635 55.300 -0.795 0.000 0.995 618 M CB 0.630 32.591 32.600 -1.066 0.000 1.480 618 M HN 0.199 8.489 8.290 -0.000 0.000 0.485 619 R N 1.572 121.987 120.500 -0.142 0.000 2.148 619 R HA 0.005 4.348 4.340 0.004 0.000 0.223 619 R C 0.028 176.357 176.300 0.047 0.000 1.088 619 R CA 0.868 56.941 56.100 -0.046 0.000 0.985 619 R CB 0.188 30.464 30.300 -0.039 0.000 0.880 619 R HN 0.319 8.589 8.270 -0.000 0.000 0.451 620 K N -0.623 119.845 120.400 0.113 0.000 2.468 620 K HA 0.224 4.546 4.320 0.004 0.000 0.252 620 K C 0.433 177.187 176.600 0.258 0.000 0.932 620 K CA -0.396 55.984 56.287 0.155 0.000 0.794 620 K CB 1.886 34.441 32.500 0.093 0.000 1.241 620 K HN -0.165 8.085 8.250 -0.000 0.000 0.428 621 T N -1.505 113.175 114.554 0.211 0.000 2.778 621 T HA -0.252 4.100 4.350 0.004 0.000 0.269 621 T C 1.812 176.548 174.700 0.060 0.000 1.050 621 T CA 1.968 64.140 62.100 0.119 0.000 1.137 621 T CB -0.553 68.333 68.868 0.031 0.000 0.860 621 T HN 0.658 8.898 8.240 -0.000 0.000 0.468 622 S N 1.802 117.546 115.700 0.074 0.000 2.555 622 S HA -0.021 4.452 4.470 0.004 0.000 0.230 622 S C 2.122 176.763 174.600 0.068 0.000 0.978 622 S CA 0.732 58.962 58.200 0.049 0.000 0.934 622 S CB -0.789 62.435 63.200 0.041 0.000 0.766 622 S HN 0.800 9.110 8.310 -0.000 0.000 0.533 623 S N 1.970 117.744 115.700 0.123 0.000 2.515 623 S HA 0.125 4.597 4.470 0.004 0.000 0.231 623 S C 1.029 175.705 174.600 0.127 0.000 0.987 623 S CA 0.418 58.702 58.200 0.140 0.000 0.936 623 S CB -1.042 62.280 63.200 0.204 0.000 0.766 623 S HN 0.668 8.978 8.310 -0.000 0.000 0.528 624 L N 0.650 121.913 121.223 0.067 0.000 3.717 624 L HA -0.174 4.168 4.340 0.004 0.000 0.414 624 L C 1.606 178.480 176.870 0.008 0.000 1.228 624 L CA 0.721 55.545 54.840 -0.027 0.000 0.918 624 L CB -2.588 39.468 42.059 -0.006 0.000 1.865 624 L HN 0.757 8.987 8.230 -0.000 0.000 0.922 625 W N 0.146 121.459 121.300 0.022 0.000 2.363 625 W HA -0.145 4.517 4.660 0.004 0.000 0.296 625 W C 1.703 178.242 176.519 0.033 0.000 1.212 625 W CA 1.332 58.691 57.345 0.024 0.000 1.260 625 W CB -0.670 28.796 29.460 0.010 0.000 1.131 625 W HN 0.277 8.457 8.180 -0.000 0.000 0.530 626 K N 1.054 120.994 120.400 -0.767 0.000 2.057 626 K HA -0.160 4.163 4.320 0.004 0.000 0.207 626 K C 1.495 177.965 176.600 -0.216 0.000 1.049 626 K CA 2.336 58.226 56.287 -0.661 0.000 0.931 626 K CB -0.369 31.580 32.500 -0.918 0.000 0.714 626 K HN 0.084 8.334 8.250 -0.000 0.000 0.440 627 D N 0.701 120.996 120.400 -0.175 0.000 2.144 627 D HA -0.132 4.511 4.640 0.004 0.000 0.200 627 D C 2.013 178.323 176.300 0.017 0.000 0.978 627 D CA 0.961 54.921 54.000 -0.068 0.000 0.833 627 D CB 0.018 40.783 40.800 -0.059 0.000 0.961 627 D HN 0.199 8.569 8.370 -0.000 0.000 0.470 628 Q N 0.266 120.102 119.800 0.060 0.000 2.020 628 Q HA -0.089 4.253 4.340 0.004 0.000 0.202 628 Q C 2.342 178.443 176.000 0.167 0.000 0.982 628 Q CA 1.358 57.236 55.803 0.124 0.000 0.838 628 Q CB -0.214 28.617 28.738 0.155 0.000 0.899 628 Q HN 0.310 8.580 8.270 -0.000 0.000 0.423 629 A N 0.888 123.822 122.820 0.190 0.000 1.972 629 A HA -0.173 4.149 4.320 0.004 0.000 0.219 629 A C 2.047 179.756 177.584 0.207 0.000 1.169 629 A CA 1.044 53.223 52.037 0.237 0.000 0.635 629 A CB -0.565 18.598 19.000 0.271 0.000 0.810 629 A HN 0.332 8.482 8.150 -0.000 0.000 0.446 630 L N 0.031 121.329 121.223 0.126 0.000 2.017 630 L HA -0.128 4.214 4.340 0.004 0.000 0.208 630 L C 2.403 179.333 176.870 0.100 0.000 1.073 630 L CA 2.074 56.969 54.840 0.090 0.000 0.745 630 L CB -0.596 41.472 42.059 0.015 0.000 0.894 630 L HN 0.162 8.392 8.230 -0.000 0.000 0.432 631 V N -0.080 119.894 119.914 0.100 0.000 2.343 631 V HA -0.247 3.875 4.120 0.004 0.000 0.247 631 V C 2.650 178.829 176.094 0.142 0.000 1.051 631 V CA 1.869 64.232 62.300 0.105 0.000 1.036 631 V CB -0.802 31.084 31.823 0.104 0.000 0.654 631 V HN 0.470 8.660 8.190 -0.000 0.000 0.451 632 E N 0.001 120.329 120.200 0.213 0.000 2.085 632 E HA -0.190 4.162 4.350 0.004 0.000 0.194 632 E C 2.176 178.919 176.600 0.239 0.000 0.994 632 E CA 1.441 58.019 56.400 0.298 0.000 0.801 632 E CB -0.322 29.631 29.700 0.421 0.000 0.743 632 E HN 0.587 8.947 8.360 -0.000 0.000 0.453 633 I N 1.695 122.426 120.570 0.268 0.000 2.226 633 I HA -0.261 3.911 4.170 0.004 0.000 0.245 633 I C 2.141 178.336 176.117 0.129 0.000 1.100 633 I CA 0.884 62.355 61.300 0.285 0.000 1.374 633 I CB -0.257 37.966 38.000 0.372 0.000 1.057 633 I HN 0.065 8.275 8.210 -0.000 0.000 0.413 634 N N 0.668 119.418 118.700 0.083 0.000 2.270 634 N HA -0.055 4.688 4.740 0.004 0.000 0.181 634 N C 1.987 177.489 175.510 -0.013 0.000 1.016 634 N CA 1.153 54.212 53.050 0.015 0.000 0.870 634 N CB 0.059 38.548 38.487 0.004 0.000 0.979 634 N HN 0.346 8.726 8.380 -0.000 0.000 0.431 635 I N 1.476 122.032 120.570 -0.024 0.000 2.179 635 I HA -0.247 3.926 4.170 0.004 0.000 0.242 635 I C 2.487 178.488 176.117 -0.194 0.000 1.088 635 I CA 0.905 62.133 61.300 -0.119 0.000 1.357 635 I CB -0.277 37.607 38.000 -0.193 0.000 1.051 635 I HN 0.045 8.255 8.210 -0.000 0.000 0.409 636 A N 0.328 122.994 122.820 -0.257 0.000 1.883 636 A HA -0.188 4.135 4.320 0.004 0.000 0.217 636 A C 2.440 179.992 177.584 -0.055 0.000 1.186 636 A CA 2.037 53.886 52.037 -0.314 0.000 0.624 636 A CB -1.076 17.446 19.000 -0.797 0.000 0.822 636 A HN 0.248 8.398 8.150 -0.000 0.000 0.444 637 V N -0.070 119.836 119.914 -0.013 0.000 2.295 637 V HA -0.263 3.860 4.120 0.004 0.000 0.246 637 V C 2.595 178.692 176.094 0.005 0.000 1.049 637 V CA 2.049 64.360 62.300 0.019 0.000 1.024 637 V CB -0.732 31.017 31.823 -0.124 0.000 0.648 637 V HN 0.569 8.759 8.190 -0.000 0.000 0.447 638 L N -1.340 119.863 121.223 -0.033 0.000 2.046 638 L HA -0.213 4.129 4.340 0.004 0.000 0.208 638 L C 2.495 179.411 176.870 0.076 0.000 1.077 638 L CA 2.051 56.889 54.840 -0.004 0.000 0.747 638 L CB -0.732 41.322 42.059 -0.008 0.000 0.896 638 L HN 0.424 8.654 8.230 -0.000 0.000 0.432 639 Y N 0.445 120.702 120.300 -0.071 0.000 2.224 639 Y HA -0.267 4.286 4.550 0.004 0.000 0.289 639 Y C 2.654 178.545 175.900 -0.015 0.000 1.146 639 Y CA 1.745 59.794 58.100 -0.085 0.000 1.182 639 Y CB -0.177 38.164 38.460 -0.198 0.000 0.983 639 Y HN 0.091 8.371 8.280 -0.000 0.000 0.524 640 S N -0.096 115.601 115.700 -0.005 0.000 2.371 640 S HA -0.101 4.371 4.470 0.004 0.000 0.224 640 S C 1.720 176.312 174.600 -0.013 0.000 1.029 640 S CA 1.112 59.280 58.200 -0.053 0.000 0.978 640 S CB -0.681 62.590 63.200 0.119 0.000 0.833 640 S HN 0.397 8.707 8.310 -0.000 0.000 0.466 641 F N 2.242 122.139 119.950 -0.089 0.000 2.102 641 F HA -0.122 4.408 4.527 0.004 0.000 0.298 641 F C 2.697 178.442 175.800 -0.092 0.000 1.105 641 F CA 1.204 59.171 58.000 -0.056 0.000 1.239 641 F CB -0.851 38.142 39.000 -0.011 0.000 0.991 641 F HN 0.203 8.503 8.300 -0.000 0.000 0.474 642 Q N -0.561 119.281 119.800 0.071 0.000 2.084 642 Q HA -0.172 4.170 4.340 0.004 0.000 0.202 642 Q C 2.359 178.287 176.000 -0.120 0.000 0.978 642 Q CA 1.939 57.726 55.803 -0.028 0.000 0.844 642 Q CB -0.417 28.303 28.738 -0.029 0.000 0.898 642 Q HN 0.274 8.544 8.270 -0.000 0.000 0.426 643 S N 1.022 116.575 115.700 -0.246 0.000 2.382 643 S HA -0.130 4.342 4.470 0.004 0.000 0.228 643 S C 1.021 175.509 174.600 -0.186 0.000 1.027 643 S CA 1.294 59.319 58.200 -0.291 0.000 0.991 643 S CB -0.122 62.765 63.200 -0.520 0.000 0.823 643 S HN 0.321 8.631 8.310 -0.000 0.000 0.469 644 D N 0.550 120.848 120.400 -0.170 0.000 2.340 644 D HA 0.146 4.788 4.640 0.004 0.000 0.220 644 D C 0.088 176.318 176.300 -0.116 0.000 1.039 644 D CA 0.147 54.061 54.000 -0.143 0.000 0.866 644 D CB -0.053 40.639 40.800 -0.180 0.000 0.913 644 D HN 0.279 8.649 8.370 -0.000 0.000 0.523 645 K N -0.483 119.860 120.400 -0.095 0.000 3.125 645 K HA -0.138 4.184 4.320 0.004 0.000 0.268 645 K C -0.863 175.700 176.600 -0.062 0.000 1.078 645 K CA 0.093 56.338 56.287 -0.070 0.000 0.775 645 K CB -1.549 30.911 32.500 -0.067 0.000 1.253 645 K HN 0.023 8.273 8.250 -0.000 0.000 0.486 646 V N 1.349 121.232 119.914 -0.051 0.000 2.398 646 V HA 0.133 4.255 4.120 0.004 0.000 0.286 646 V C 0.785 176.950 176.094 0.117 0.000 1.026 646 V CA -0.674 61.619 62.300 -0.012 0.000 0.868 646 V CB 1.810 33.529 31.823 -0.173 0.000 0.982 646 V HN 0.220 8.410 8.190 -0.000 0.000 0.443 647 T N 6.630 121.221 114.554 0.061 0.000 2.866 647 T HA 0.346 4.698 4.350 0.004 0.000 0.293 647 T C -0.241 174.557 174.700 0.163 0.000 1.005 647 T CA 0.949 63.025 62.100 -0.039 0.000 1.162 647 T CB -0.009 68.690 68.868 -0.282 0.000 0.968 647 T HN 0.568 8.808 8.240 -0.000 0.000 0.530 648 I N 2.568 123.180 120.570 0.070 0.000 2.908 648 I HA 0.619 4.791 4.170 0.004 0.000 0.300 648 I C -1.474 174.691 176.117 0.080 0.000 1.385 648 I CA -0.984 60.399 61.300 0.138 0.000 1.004 648 I CB 1.986 40.007 38.000 0.033 0.000 1.309 648 I HN 0.436 8.646 8.210 -0.000 0.000 0.449 649 V N 5.087 125.103 119.914 0.171 0.000 2.656 649 V HA 0.498 4.620 4.120 0.004 0.000 0.307 649 V C -1.113 175.042 176.094 0.101 0.000 1.051 649 V CA -0.275 62.117 62.300 0.152 0.000 0.893 649 V CB 2.195 34.189 31.823 0.285 0.000 0.999 649 V HN 0.876 9.066 8.190 -0.000 0.000 0.426 650 D N 3.741 124.177 120.400 0.059 0.000 2.354 650 D HA 0.208 4.850 4.640 0.004 0.000 0.247 650 D C 1.211 177.515 176.300 0.007 0.000 1.138 650 D CA 0.082 54.099 54.000 0.028 0.000 0.958 650 D CB 0.507 41.291 40.800 -0.026 0.000 1.144 650 D HN 0.722 9.092 8.370 -0.000 0.000 0.458 651 H N -0.277 118.731 119.070 -0.103 0.000 2.457 651 H HA -0.111 4.447 4.556 0.004 0.000 0.294 651 H C 1.002 176.235 175.328 -0.159 0.000 1.064 651 H CA 1.155 57.111 56.048 -0.153 0.000 1.330 651 H CB -0.543 29.077 29.762 -0.236 0.000 1.395 651 H HN 0.502 8.782 8.280 -0.000 0.000 0.541 652 H N 0.956 119.816 119.070 -0.350 0.000 2.299 652 H HA -0.093 4.465 4.556 0.004 0.000 0.302 652 H C 2.514 177.822 175.328 -0.034 0.000 1.078 652 H CA 1.609 57.556 56.048 -0.169 0.000 1.323 652 H CB -0.219 29.413 29.762 -0.217 0.000 1.381 652 H HN 0.430 8.710 8.280 -0.000 0.000 0.498 653 S N 0.551 116.304 115.700 0.088 0.000 2.368 653 S HA -0.087 4.385 4.470 0.004 0.000 0.224 653 S C 2.439 177.112 174.600 0.121 0.000 1.029 653 S CA 1.142 59.399 58.200 0.095 0.000 0.988 653 S CB -0.303 62.943 63.200 0.076 0.000 0.838 653 S HN 0.445 8.755 8.310 -0.000 0.000 0.462 654 A N 1.036 123.931 122.820 0.125 0.000 1.902 654 A HA -0.077 4.246 4.320 0.004 0.000 0.217 654 A C 2.510 180.204 177.584 0.184 0.000 1.181 654 A CA 2.447 54.582 52.037 0.162 0.000 0.623 654 A CB -1.679 17.411 19.000 0.151 0.000 0.818 654 A HN 0.815 8.965 8.150 -0.000 0.000 0.443 655 T N -2.107 112.539 114.554 0.154 0.000 2.812 655 T HA -0.134 4.218 4.350 0.004 0.000 0.264 655 T C 1.772 176.608 174.700 0.226 0.000 1.042 655 T CA 1.406 63.620 62.100 0.190 0.000 1.140 655 T CB -0.375 68.575 68.868 0.136 0.000 0.870 655 T HN 0.620 8.860 8.240 -0.000 0.000 0.445 656 E N 1.225 121.529 120.200 0.174 0.000 2.058 656 E HA -0.165 4.187 4.350 0.004 0.000 0.194 656 E C 2.340 179.028 176.600 0.147 0.000 0.997 656 E CA 1.484 57.973 56.400 0.148 0.000 0.801 656 E CB -0.305 29.463 29.700 0.113 0.000 0.746 656 E HN 0.536 8.896 8.360 -0.000 0.000 0.450 657 S N 0.084 115.881 115.700 0.160 0.000 2.368 657 S HA -0.155 4.318 4.470 0.004 0.000 0.225 657 S C 1.497 176.213 174.600 0.194 0.000 1.030 657 S CA 1.122 59.417 58.200 0.157 0.000 0.999 657 S CB -0.465 62.833 63.200 0.162 0.000 0.844 657 S HN 0.395 8.705 8.310 -0.000 0.000 0.459 658 F N 2.435 122.460 119.950 0.125 0.000 2.134 658 F HA -0.122 4.407 4.527 0.004 0.000 0.299 658 F C 1.847 177.748 175.800 0.168 0.000 1.097 658 F CA 1.057 59.151 58.000 0.157 0.000 1.264 658 F CB -0.261 38.816 39.000 0.128 0.000 1.001 658 F HN 0.090 8.390 8.300 -0.000 0.000 0.479 659 I N 0.678 121.291 120.570 0.072 0.000 2.179 659 I HA -0.301 3.871 4.170 0.004 0.000 0.242 659 I C 2.252 178.327 176.117 -0.070 0.000 1.088 659 I CA 1.561 62.853 61.300 -0.013 0.000 1.357 659 I CB -1.329 36.729 38.000 0.096 0.000 1.051 659 I HN 0.204 8.414 8.210 -0.000 0.000 0.409 660 K N -0.367 120.031 120.400 -0.003 0.000 2.063 660 K HA -0.264 4.059 4.320 0.004 0.000 0.208 660 K C 2.184 178.775 176.600 -0.015 0.000 1.048 660 K CA 1.751 58.040 56.287 0.003 0.000 0.928 660 K CB -0.437 32.088 32.500 0.041 0.000 0.713 660 K HN 0.357 8.607 8.250 -0.000 0.000 0.442 661 H N 0.752 119.743 119.070 -0.131 0.000 2.353 661 H HA -0.036 4.523 4.556 0.004 0.000 0.300 661 H C 2.021 177.228 175.328 -0.202 0.000 1.090 661 H CA 1.882 57.843 56.048 -0.146 0.000 1.327 661 H CB -0.011 29.663 29.762 -0.146 0.000 1.383 661 H HN 0.077 8.357 8.280 -0.000 0.000 0.508 662 M N 0.029 119.326 119.600 -0.505 0.000 2.132 662 M HA -0.152 4.331 4.480 0.004 0.000 0.263 662 M C 1.931 178.164 176.300 -0.113 0.000 1.065 662 M CA 1.975 57.020 55.300 -0.424 0.000 1.122 662 M CB -0.009 32.318 32.600 -0.455 0.000 1.365 662 M HN 0.429 8.719 8.290 -0.000 0.000 0.411 663 E N 0.115 120.248 120.200 -0.112 0.000 2.051 663 E HA -0.246 4.106 4.350 0.004 0.000 0.192 663 E C 1.705 178.300 176.600 -0.009 0.000 0.991 663 E CA 1.547 57.919 56.400 -0.047 0.000 0.799 663 E CB -0.255 29.412 29.700 -0.054 0.000 0.748 663 E HN 0.520 8.880 8.360 -0.000 0.000 0.449 664 N N 0.839 119.507 118.700 -0.053 0.000 2.061 664 N HA -0.206 4.537 4.740 0.004 0.000 0.193 664 N C 1.649 177.126 175.510 -0.054 0.000 1.030 664 N CA 1.354 54.381 53.050 -0.038 0.000 0.856 664 N CB 0.024 38.499 38.487 -0.021 0.000 1.023 664 N HN 0.092 8.472 8.380 -0.000 0.000 0.424 665 E N -0.621 119.479 120.200 -0.167 0.000 2.077 665 E HA -0.188 4.164 4.350 0.004 0.000 0.193 665 E C 1.928 178.457 176.600 -0.118 0.000 0.989 665 E CA 0.927 57.206 56.400 -0.202 0.000 0.800 665 E CB -0.478 28.974 29.700 -0.413 0.000 0.746 665 E HN 0.564 8.924 8.360 -0.000 0.000 0.452 666 Y N 1.002 121.232 120.300 -0.117 0.000 2.181 666 Y HA -0.189 4.364 4.550 0.004 0.000 0.288 666 Y C 2.657 178.539 175.900 -0.030 0.000 1.146 666 Y CA 1.637 59.707 58.100 -0.050 0.000 1.164 666 Y CB -0.085 38.354 38.460 -0.034 0.000 0.982 666 Y HN -0.032 8.248 8.280 -0.000 0.000 0.515 667 R N -1.001 119.565 120.500 0.109 0.000 2.062 667 R HA -0.120 4.222 4.340 0.004 0.000 0.229 667 R C 2.479 178.794 176.300 0.025 0.000 1.128 667 R CA 1.610 57.746 56.100 0.060 0.000 0.960 667 R CB -0.849 29.476 30.300 0.043 0.000 0.855 667 R HN 0.555 8.825 8.270 -0.000 0.000 0.432 668 C N -1.048 118.257 119.300 0.008 0.000 2.485 668 C HA 0.247 4.709 4.460 0.004 0.000 0.278 668 C C 2.215 177.196 174.990 -0.015 0.000 1.356 668 C CA 0.088 59.109 59.018 0.005 0.000 1.747 668 C CB -0.267 27.486 27.740 0.022 0.000 2.001 668 C HN 0.329 8.559 8.230 -0.000 0.000 0.501 669 R N 0.135 120.605 120.500 -0.049 0.000 2.344 669 R HA 0.304 4.646 4.340 0.004 0.000 0.209 669 R C 1.606 177.841 176.300 -0.107 0.000 0.886 669 R CA 0.868 56.920 56.100 -0.080 0.000 1.040 669 R CB 0.349 30.576 30.300 -0.121 0.000 1.114 669 R HN 0.683 8.953 8.270 -0.000 0.000 0.547 670 G N -0.162 108.575 108.800 -0.106 0.000 2.141 670 G HA2 -0.166 3.797 3.960 0.004 0.000 0.242 670 G HA3 -0.166 3.797 3.960 0.004 0.000 0.242 670 G C 0.116 174.860 174.900 -0.261 0.000 0.982 670 G CA 0.022 45.053 45.100 -0.114 0.000 0.662 670 G HN 0.780 9.070 8.290 -0.000 0.000 0.527 671 G N -2.362 106.145 108.800 -0.488 0.000 2.336 671 G HA2 0.538 4.500 3.960 0.004 0.000 0.300 671 G HA3 0.538 4.500 3.960 0.004 0.000 0.300 671 G C -0.931 173.567 174.900 -0.670 0.000 1.375 671 G CA 0.356 44.902 45.100 -0.924 0.000 0.885 671 G HN 1.836 10.126 8.290 -0.000 0.000 0.599 672 C N 2.311 121.257 119.300 -0.590 0.000 2.887 672 C HA 0.684 5.146 4.460 0.004 0.000 0.379 672 C C -2.550 172.342 174.990 -0.162 0.000 1.064 672 C CA -1.173 57.695 59.018 -0.251 0.000 1.282 672 C CB 0.963 28.605 27.740 -0.163 0.000 1.749 672 C HN 0.690 8.920 8.230 -0.000 0.000 0.489 673 P HA 0.441 4.861 4.420 -0.000 0.000 0.271 673 P C -0.697 176.498 177.300 -0.175 0.000 1.220 673 P CA 0.484 63.197 63.100 -0.644 0.000 0.768 673 P CB 1.250 32.337 31.700 -1.021 0.000 0.848 674 A N 2.343 125.133 122.820 -0.050 0.000 2.488 674 A HA 0.430 4.753 4.320 0.004 0.000 0.298 674 A C -1.189 176.460 177.584 0.110 0.000 1.044 674 A CA -0.520 51.587 52.037 0.116 0.000 0.693 674 A CB 1.278 20.477 19.000 0.331 0.000 1.272 674 A HN 0.448 8.598 8.150 -0.000 0.000 0.402 675 D N 2.013 122.469 120.400 0.094 0.000 2.473 675 D HA 0.156 4.798 4.640 0.004 0.000 0.226 675 D C 0.761 177.209 176.300 0.247 0.000 1.089 675 D CA -0.521 53.569 54.000 0.151 0.000 0.883 675 D CB 0.349 41.189 40.800 0.068 0.000 1.029 675 D HN 0.603 8.973 8.370 -0.000 0.000 0.517 676 W N 3.907 125.258 121.300 0.084 0.000 2.321 676 W HA -0.269 4.393 4.660 0.004 0.000 0.306 676 W C 1.693 178.258 176.519 0.077 0.000 1.217 676 W CA 1.222 58.605 57.345 0.063 0.000 1.257 676 W CB 0.030 29.506 29.460 0.026 0.000 1.145 676 W HN 0.292 8.472 8.180 -0.000 0.000 0.509 677 V N -0.296 119.953 119.914 0.557 0.000 2.380 677 V HA -0.336 3.786 4.120 0.004 0.000 0.251 677 V C 1.576 177.790 176.094 0.199 0.000 1.063 677 V CA 2.221 64.774 62.300 0.422 0.000 1.055 677 V CB -0.946 31.123 31.823 0.411 0.000 0.657 677 V HN 0.336 8.526 8.190 -0.000 0.000 0.455 678 W N -1.540 119.768 121.300 0.013 0.000 2.630 678 W HA 0.218 4.881 4.660 0.004 0.000 0.271 678 W C 2.212 178.645 176.519 -0.142 0.000 1.244 678 W CA -0.030 57.288 57.345 -0.045 0.000 1.353 678 W CB -0.198 29.258 29.460 -0.008 0.000 1.080 678 W HN 0.068 8.248 8.180 -0.000 0.000 0.594 679 I N 0.066 120.625 120.570 -0.017 0.000 2.202 679 I HA -0.111 4.061 4.170 0.004 0.000 0.242 679 I C 0.728 176.670 176.117 -0.293 0.000 1.091 679 I CA 0.834 61.997 61.300 -0.228 0.000 1.368 679 I CB -1.618 36.172 38.000 -0.350 0.000 1.058 679 I HN -0.414 7.796 8.210 -0.000 0.000 0.410 680 V N 4.134 123.776 119.914 -0.453 0.000 2.509 680 V HA 0.001 4.123 4.120 0.004 0.000 0.297 680 V C -1.831 174.100 176.094 -0.272 0.000 1.014 680 V CA -0.788 61.226 62.300 -0.476 0.000 1.127 680 V CB -0.333 30.939 31.823 -0.918 0.000 0.925 680 V HN 0.146 8.336 8.190 -0.000 0.000 0.480 681 P HA 0.146 4.566 4.420 -0.000 0.000 0.270 681 P C -1.908 175.276 177.300 -0.193 0.000 1.223 681 P CA -1.206 61.785 63.100 -0.181 0.000 0.785 681 P CB 0.037 31.634 31.700 -0.171 0.000 0.923 682 P HA 0.052 4.472 4.420 -0.000 0.000 0.249 682 P C -0.016 177.178 177.300 -0.177 0.000 1.229 682 P CA 0.962 63.953 63.100 -0.181 0.000 0.788 682 P CB 0.076 31.663 31.700 -0.187 0.000 1.072 683 M N -4.559 114.901 119.600 -0.234 0.000 2.619 683 M HA 0.562 5.045 4.480 0.004 0.000 0.297 683 M C -0.209 175.984 176.300 -0.178 0.000 1.229 683 M CA -0.664 54.514 55.300 -0.204 0.000 0.860 683 M CB 2.023 34.480 32.600 -0.238 0.000 1.741 683 M HN -0.375 7.915 8.290 -0.000 0.000 0.462 684 S N 0.506 116.152 115.700 -0.091 0.000 3.587 684 S HA -0.172 4.300 4.470 0.004 0.000 0.337 684 S C 1.107 175.686 174.600 -0.035 0.000 1.119 684 S CA 0.832 59.018 58.200 -0.022 0.000 0.976 684 S CB -1.939 61.314 63.200 0.087 0.000 0.922 684 S HN 1.219 9.529 8.310 -0.000 0.000 0.503 685 G N 2.235 110.987 108.800 -0.080 0.000 2.681 685 G HA2 -0.354 3.608 3.960 0.004 0.000 0.220 685 G HA3 -0.354 3.608 3.960 0.004 0.000 0.220 685 G C 1.451 176.256 174.900 -0.158 0.000 1.210 685 G CA 1.698 46.763 45.100 -0.059 0.000 0.783 685 G HN 1.329 9.619 8.290 -0.000 0.000 0.609 686 S N 0.664 116.025 115.700 -0.564 0.000 2.561 686 S HA 0.064 4.537 4.470 0.004 0.000 0.225 686 S C 2.115 176.699 174.600 -0.027 0.000 0.977 686 S CA 0.883 58.611 58.200 -0.787 0.000 0.926 686 S CB -0.368 62.039 63.200 -1.322 0.000 0.769 686 S HN 0.772 9.082 8.310 -0.000 0.000 0.533 687 I N 0.731 121.320 120.570 0.031 0.000 3.793 687 I HA 0.227 4.400 4.170 0.004 0.000 0.315 687 I C 0.462 176.721 176.117 0.237 0.000 1.275 687 I CA -0.208 61.181 61.300 0.148 0.000 1.214 687 I CB -0.628 37.451 38.000 0.133 0.000 1.018 687 I HN 0.222 8.432 8.210 -0.000 0.000 0.439 688 T N -1.541 113.150 114.554 0.227 0.000 2.902 688 T HA 0.461 4.813 4.350 0.004 0.000 0.283 688 T C -1.608 173.276 174.700 0.307 0.000 1.009 688 T CA -1.915 60.331 62.100 0.243 0.000 1.051 688 T CB 1.707 70.668 68.868 0.156 0.000 0.999 688 T HN -0.082 8.158 8.240 -0.000 0.000 0.474 689 P HA -0.043 4.377 4.420 -0.000 0.000 0.223 689 P C 1.816 179.320 177.300 0.341 0.000 1.151 689 P CA 0.734 64.023 63.100 0.314 0.000 0.787 689 P CB -0.327 31.500 31.700 0.212 0.000 0.788 690 V N -3.604 116.460 119.914 0.251 0.000 2.490 690 V HA -0.209 3.914 4.120 0.004 0.000 0.250 690 V C 2.324 178.493 176.094 0.126 0.000 1.061 690 V CA 1.216 63.621 62.300 0.175 0.000 1.064 690 V CB -2.262 29.589 31.823 0.048 0.000 0.670 690 V HN -0.121 8.069 8.190 -0.000 0.000 0.461 691 F N 1.878 121.812 119.950 -0.026 0.000 2.154 691 F HA -0.206 4.323 4.527 0.003 0.000 0.301 691 F C 2.468 178.393 175.800 0.208 0.000 1.087 691 F CA 2.414 60.408 58.000 -0.009 0.000 1.274 691 F CB -0.291 38.593 39.000 -0.193 0.000 1.009 691 F HN 0.301 8.601 8.300 -0.000 0.000 0.485 692 H N -1.359 118.021 119.070 0.516 0.000 2.539 692 H HA 0.105 4.663 4.556 0.003 0.000 0.269 692 H C 0.325 175.893 175.328 0.401 0.000 0.980 692 H CA 0.202 56.518 56.048 0.447 0.000 1.152 692 H CB -0.063 29.944 29.762 0.409 0.000 1.407 692 H HN 0.236 8.516 8.280 -0.000 0.000 0.564 693 Q N 2.045 122.119 119.800 0.457 0.000 2.340 693 Q HA 0.141 4.484 4.340 0.004 0.000 0.259 693 Q C -0.576 175.663 176.000 0.398 0.000 0.964 693 Q CA -0.372 55.649 55.803 0.363 0.000 0.900 693 Q CB 0.712 29.630 28.738 0.299 0.000 1.228 693 Q HN 0.223 8.493 8.270 -0.000 0.000 0.449 694 E N 3.616 123.998 120.200 0.305 0.000 2.392 694 E HA 0.201 4.553 4.350 0.004 0.000 0.264 694 E C -0.464 176.276 176.600 0.234 0.000 1.024 694 E CA 0.433 56.974 56.400 0.236 0.000 0.903 694 E CB 0.724 30.543 29.700 0.197 0.000 0.963 694 E HN 0.605 8.965 8.360 -0.000 0.000 0.432 695 M N 2.261 122.009 119.600 0.248 0.000 2.631 695 M HA 0.458 4.940 4.480 0.004 0.000 0.288 695 M C -1.066 175.365 176.300 0.219 0.000 1.260 695 M CA -0.732 54.732 55.300 0.273 0.000 0.842 695 M CB 1.763 34.571 32.600 0.346 0.000 1.743 695 M HN 0.231 8.521 8.290 -0.000 0.000 0.461 696 L N 1.306 122.672 121.223 0.238 0.000 2.362 696 L HA 0.526 4.868 4.340 0.004 0.000 0.275 696 L C -0.800 176.153 176.870 0.138 0.000 0.998 696 L CA -0.455 54.521 54.840 0.227 0.000 0.820 696 L CB 1.906 44.169 42.059 0.341 0.000 1.270 696 L HN 0.715 8.945 8.230 -0.000 0.000 0.415 697 N N 2.774 121.550 118.700 0.127 0.000 2.408 697 N HA 0.587 5.329 4.740 0.004 0.000 0.280 697 N C -1.726 173.856 175.510 0.120 0.000 1.002 697 N CA -0.381 52.677 53.050 0.013 0.000 0.907 697 N CB 1.404 39.919 38.487 0.046 0.000 1.161 697 N HN 0.495 8.875 8.380 -0.000 0.000 0.488 698 Y N -0.088 120.231 120.300 0.033 0.000 2.689 698 Y HA 0.481 5.033 4.550 0.004 0.000 0.333 698 Y C -1.324 174.579 175.900 0.006 0.000 1.208 698 Y CA -1.344 56.769 58.100 0.022 0.000 1.055 698 Y CB 0.875 39.357 38.460 0.036 0.000 1.304 698 Y HN 0.199 8.479 8.280 -0.000 0.000 0.455 699 R N 1.955 122.568 120.500 0.187 0.000 2.310 699 R HA 0.673 5.015 4.340 0.004 0.000 0.324 699 R C -1.395 174.967 176.300 0.103 0.000 0.955 699 R CA -0.598 55.547 56.100 0.075 0.000 0.830 699 R CB 1.352 31.678 30.300 0.043 0.000 1.154 699 R HN 0.640 8.910 8.270 -0.000 0.000 0.458 700 L N 1.814 123.069 121.223 0.054 0.000 2.330 700 L HA 0.583 4.925 4.340 0.004 0.000 0.271 700 L C 0.402 177.271 176.870 -0.001 0.000 1.013 700 L CA -0.860 54.009 54.840 0.048 0.000 0.816 700 L CB 2.243 44.330 42.059 0.048 0.000 1.287 700 L HN 0.653 8.883 8.230 -0.000 0.000 0.435 701 T N -1.142 113.419 114.554 0.011 0.000 2.912 701 T HA 0.603 4.956 4.350 0.004 0.000 0.288 701 T C -2.685 172.040 174.700 0.043 0.000 1.030 701 T CA -2.259 59.840 62.100 -0.002 0.000 1.020 701 T CB 1.712 70.584 68.868 0.007 0.000 1.056 701 T HN 0.186 8.426 8.240 -0.000 0.000 0.480 702 P HA 0.296 4.716 4.420 -0.000 0.000 0.268 702 P C -0.567 176.628 177.300 -0.175 0.000 1.208 702 P CA -0.144 62.907 63.100 -0.082 0.000 0.777 702 P CB 0.415 32.056 31.700 -0.098 0.000 0.875 703 S N 0.311 115.859 115.700 -0.255 0.000 2.550 703 S HA 0.634 5.107 4.470 0.004 0.000 0.270 703 S C -1.177 173.183 174.600 -0.401 0.000 1.145 703 S CA -0.864 57.169 58.200 -0.279 0.000 0.852 703 S CB 0.636 63.755 63.200 -0.135 0.000 1.119 703 S HN 0.121 8.431 8.310 -0.000 0.000 0.465 704 F N 1.571 121.440 119.950 -0.135 0.000 2.404 704 F HA 0.588 5.117 4.527 0.004 0.000 0.345 704 F C 1.028 176.699 175.800 -0.214 0.000 1.110 704 F CA -0.218 57.691 58.000 -0.152 0.000 1.130 704 F CB 1.048 39.934 39.000 -0.190 0.000 1.129 704 F HN 0.493 8.793 8.300 -0.000 0.000 0.500 705 E N 2.036 122.232 120.200 -0.007 0.000 2.336 705 E HA 0.279 4.632 4.350 0.004 0.000 0.267 705 E C -1.231 175.258 176.600 -0.186 0.000 0.906 705 E CA -0.946 55.368 56.400 -0.143 0.000 0.781 705 E CB 1.950 31.625 29.700 -0.041 0.000 1.261 705 E HN 0.449 8.809 8.360 -0.000 0.000 0.436 706 Y N 0.877 121.190 120.300 0.022 0.000 2.314 706 Y HA 0.146 4.698 4.550 0.004 0.000 0.334 706 Y C 1.097 176.987 175.900 -0.018 0.000 1.266 706 Y CA -0.011 58.088 58.100 -0.001 0.000 1.391 706 Y CB 0.795 39.244 38.460 -0.018 0.000 1.306 706 Y HN 0.284 8.564 8.280 -0.000 0.000 0.558 707 Q N 0.561 120.440 119.800 0.131 0.000 2.456 707 Q HA 0.593 4.935 4.340 0.004 0.000 0.284 707 Q C -3.085 172.876 176.000 -0.064 0.000 1.061 707 Q CA -2.513 53.301 55.803 0.018 0.000 0.799 707 Q CB 1.607 30.338 28.738 -0.011 0.000 1.445 707 Q HN 0.289 8.559 8.270 -0.000 0.000 0.411 708 P HA 0.067 4.487 4.420 -0.000 0.000 0.267 708 P C -0.915 176.166 177.300 -0.365 0.000 1.200 708 P CA -0.001 62.978 63.100 -0.202 0.000 0.772 708 P CB 0.337 31.930 31.700 -0.180 0.000 0.855 709 D N 3.836 123.914 120.400 -0.537 0.000 2.493 709 D HA -0.037 4.605 4.640 0.004 0.000 0.240 709 D C -1.151 174.488 176.300 -1.102 0.000 1.142 709 D CA -0.762 52.616 54.000 -1.036 0.000 0.872 709 D CB 0.343 40.203 40.800 -1.567 0.000 1.173 709 D HN 0.262 8.632 8.370 -0.000 0.000 0.467 710 P HA -0.120 4.300 4.420 -0.000 0.000 0.219 710 P C 1.490 178.222 177.300 -0.947 0.000 1.150 710 P CA 0.984 63.450 63.100 -1.055 0.000 0.814 710 P CB -0.136 30.641 31.700 -1.537 0.000 0.787 711 W N 0.876 121.706 121.300 -0.783 0.000 2.364 711 W HA -0.045 4.617 4.660 0.004 0.000 0.281 711 W C 1.430 177.968 176.519 0.033 0.000 1.219 711 W CA 0.677 57.916 57.345 -0.178 0.000 1.220 711 W CB -2.277 27.268 29.460 0.142 0.000 1.127 711 W HN -0.156 8.024 8.180 -0.000 0.000 0.556 712 N N 0.422 118.982 118.700 -0.235 0.000 2.331 712 N HA -0.098 4.644 4.740 0.004 0.000 0.180 712 N C 1.687 177.174 175.510 -0.038 0.000 1.019 712 N CA 2.479 55.484 53.050 -0.074 0.000 0.881 712 N CB -0.581 37.791 38.487 -0.191 0.000 0.972 712 N HN 0.545 8.925 8.380 -0.000 0.000 0.435 713 T N -3.453 111.036 114.554 -0.108 0.000 2.999 713 T HA 0.036 4.389 4.350 0.004 0.000 0.247 713 T C 0.778 175.462 174.700 -0.028 0.000 1.012 713 T CA -0.220 61.838 62.100 -0.070 0.000 1.048 713 T CB -0.318 68.478 68.868 -0.119 0.000 1.020 713 T HN 0.101 8.341 8.240 -0.000 0.000 0.478 714 H N 1.581 120.563 119.070 -0.146 0.000 3.064 714 H HA 0.328 4.886 4.556 0.004 0.000 0.329 714 H C -0.614 174.601 175.328 -0.187 0.000 1.020 714 H CA 0.061 55.994 56.048 -0.191 0.000 1.402 714 H CB 0.296 29.914 29.762 -0.239 0.000 1.379 714 H HN 0.079 8.359 8.280 -0.000 0.000 0.594 715 V N 7.256 126.699 119.914 -0.786 0.000 2.348 715 V HA 0.034 4.156 4.120 0.004 0.000 0.270 715 V C -0.409 175.200 176.094 -0.808 0.000 1.037 715 V CA -0.468 61.500 62.300 -0.554 0.000 0.872 715 V CB -0.078 31.580 31.823 -0.275 0.000 1.002 715 V HN 0.742 8.932 8.190 -0.000 0.000 0.464 716 W N 5.215 126.339 121.300 -0.294 0.000 2.368 716 W HA 0.305 4.967 4.660 0.004 0.000 0.316 716 W C 1.255 177.735 176.519 -0.065 0.000 1.375 716 W CA -0.400 56.886 57.345 -0.098 0.000 1.261 716 W CB 0.565 30.057 29.460 0.053 0.000 1.298 716 W HN 0.513 8.693 8.180 -0.000 0.000 0.539 717 K N 2.784 123.282 120.400 0.163 0.000 2.211 717 K HA 0.218 4.541 4.320 0.004 0.000 0.201 717 K C 1.225 177.907 176.600 0.138 0.000 1.052 717 K CA 0.730 57.079 56.287 0.103 0.000 0.973 717 K CB -0.151 32.381 32.500 0.053 0.000 0.766 717 K HN 0.710 8.960 8.250 -0.000 0.000 0.466 718 G N 0.000 108.930 108.800 0.216 0.000 5.446 718 G HA2 0.000 3.962 3.960 0.004 0.000 0.244 718 G HA3 0.000 3.962 3.960 0.004 0.000 0.244 718 G CA 0.000 45.189 45.100 0.149 0.000 0.502 718 G HN 0.000 8.290 8.290 -0.000 0.000 0.925