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 2g6i_1_A DATA FIRST_RESID 299 DATA SEQUENCE RFLKVKNWET DVVLTDTLHL KSTLETGCTE HICMGSIMLP XXXXXXXXXV DATA SEQUENCE RTKDQLFPLA 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 DPWNTHVW 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 0.000 176.511 176.300 0.351 0.000 0.893 299 R CA 0.000 56.266 56.100 0.277 0.000 0.921 299 R CB 0.000 30.536 30.300 0.393 0.000 0.687 300 F N 3.179 123.192 119.950 0.104 0.000 2.424 300 F HA 0.499 4.585 4.527 -0.735 0.000 0.356 300 F C 0.119 175.973 175.800 0.090 0.000 1.110 300 F CA -0.472 57.603 58.000 0.126 0.000 1.161 300 F CB 0.763 39.801 39.000 0.063 0.000 1.115 300 F HN 0.027 8.327 8.300 -0.000 0.000 0.507 301 L N 3.955 125.299 121.223 0.202 0.000 2.334 301 L HA 0.557 4.456 4.340 -0.735 0.000 0.272 301 L C -0.217 176.713 176.870 0.099 0.000 1.020 301 L CA -0.967 53.913 54.840 0.066 0.000 0.812 301 L CB 1.852 43.832 42.059 -0.132 0.000 1.264 301 L HN 0.505 8.735 8.230 -0.000 0.000 0.439 302 K N 1.374 121.811 120.400 0.063 0.000 2.259 302 K HA 0.715 4.594 4.320 -0.735 0.000 0.249 302 K C -1.264 175.341 176.600 0.009 0.000 0.942 302 K CA -0.763 55.548 56.287 0.040 0.000 0.816 302 K CB 2.746 35.256 32.500 0.018 0.000 1.155 302 K HN 0.401 8.651 8.250 -0.000 0.000 0.428 303 V N -1.025 118.864 119.914 -0.042 0.000 2.588 303 V HA 0.569 4.248 4.120 -0.735 0.000 0.304 303 V C -0.842 175.181 176.094 -0.119 0.000 1.042 303 V CA -0.943 61.328 62.300 -0.048 0.000 0.877 303 V CB 1.565 33.364 31.823 -0.040 0.000 0.996 303 V HN 0.758 8.948 8.190 -0.000 0.000 0.425 304 K N 3.378 123.706 120.400 -0.120 0.000 2.203 304 K HA 0.469 4.348 4.320 -0.735 0.000 0.251 304 K C -0.827 175.645 176.600 -0.214 0.000 0.944 304 K CA -0.704 55.420 56.287 -0.272 0.000 0.829 304 K CB 1.830 34.004 32.500 -0.543 0.000 1.125 304 K HN 0.901 9.151 8.250 -0.000 0.000 0.430 305 N N 3.942 122.525 118.700 -0.195 0.000 2.437 305 N HA 0.097 4.396 4.740 -0.735 0.000 0.259 305 N C -0.448 175.018 175.510 -0.074 0.000 0.983 305 N CA -0.385 52.661 53.050 -0.006 0.000 0.937 305 N CB 0.469 38.974 38.487 0.031 0.000 1.122 305 N HN 0.658 9.038 8.380 -0.000 0.000 0.499 306 W N 2.130 123.508 121.300 0.129 0.000 3.096 306 W HA 0.121 4.340 4.660 -0.736 0.000 0.241 306 W C 1.839 178.405 176.519 0.078 0.000 1.316 306 W CA -0.179 57.235 57.345 0.114 0.000 1.520 306 W CB 0.271 29.824 29.460 0.155 0.000 1.128 306 W HN 0.660 8.840 8.180 -0.000 0.000 0.707 307 E N -0.445 119.860 120.200 0.175 0.000 2.364 307 E HA -0.073 3.836 4.350 -0.735 0.000 0.203 307 E C 1.811 178.419 176.600 0.012 0.000 0.888 307 E CA 1.455 57.875 56.400 0.033 0.000 0.989 307 E CB 0.239 29.878 29.700 -0.102 0.000 0.985 307 E HN 0.201 8.561 8.360 -0.000 0.000 0.499 308 T N -2.779 111.781 114.554 0.010 0.000 2.985 308 T HA 0.145 4.053 4.350 -0.735 0.000 0.254 308 T C 0.582 175.253 174.700 -0.048 0.000 1.021 308 T CA 0.358 62.449 62.100 -0.014 0.000 0.957 308 T CB 0.410 69.273 68.868 -0.007 0.000 1.047 308 T HN 0.040 8.280 8.240 -0.000 0.000 0.511 309 D N 0.214 120.562 120.400 -0.087 0.000 2.946 309 D HA -0.133 4.066 4.640 -0.735 0.000 0.202 309 D C 0.004 176.213 176.300 -0.152 0.000 1.068 309 D CA 0.538 54.447 54.000 -0.153 0.000 1.011 309 D CB -1.628 39.106 40.800 -0.109 0.000 1.105 309 D HN 0.420 8.790 8.370 -0.000 0.000 0.425 310 V N 1.156 121.002 119.914 -0.114 0.000 2.694 310 V HA 0.092 3.771 4.120 -0.735 0.000 0.306 310 V C 0.863 176.867 176.094 -0.151 0.000 1.054 310 V CA 0.320 62.555 62.300 -0.109 0.000 1.161 310 V CB 1.589 33.362 31.823 -0.084 0.000 0.916 310 V HN -0.030 8.160 8.190 -0.000 0.000 0.490 311 V N 6.668 126.497 119.914 -0.141 0.000 2.531 311 V HA 0.508 4.186 4.120 -0.735 0.000 0.301 311 V C -0.245 175.761 176.094 -0.146 0.000 1.034 311 V CA -0.511 61.696 62.300 -0.155 0.000 0.865 311 V CB 1.700 33.442 31.823 -0.134 0.000 0.995 311 V HN 0.627 8.817 8.190 -0.000 0.000 0.424 312 L N 3.332 124.428 121.223 -0.210 0.000 2.334 312 L HA 0.712 4.611 4.340 -0.735 0.000 0.273 312 L C 0.013 176.838 176.870 -0.076 0.000 1.013 312 L CA -0.474 54.219 54.840 -0.244 0.000 0.816 312 L CB 2.376 43.979 42.059 -0.761 0.000 1.278 312 L HN 0.534 8.764 8.230 -0.000 0.000 0.431 313 T N -0.043 114.579 114.554 0.114 0.000 2.771 313 T HA 0.214 4.122 4.350 -0.735 0.000 0.281 313 T C -0.733 174.186 174.700 0.365 0.000 0.982 313 T CA -0.468 61.758 62.100 0.210 0.000 0.978 313 T CB 1.503 70.492 68.868 0.202 0.000 0.930 313 T HN 0.436 8.676 8.240 -0.000 0.000 0.447 314 D N 2.274 122.877 120.400 0.337 0.000 2.329 314 D HA 0.230 4.429 4.640 -0.735 0.000 0.232 314 D C 0.823 177.206 176.300 0.138 0.000 1.088 314 D CA -0.354 53.816 54.000 0.284 0.000 0.835 314 D CB 1.509 42.505 40.800 0.326 0.000 1.078 314 D HN 0.646 9.016 8.370 -0.000 0.000 0.495 315 T N 0.987 115.505 114.554 -0.059 0.000 2.971 315 T HA -0.034 3.875 4.350 -0.735 0.000 0.252 315 T C 1.849 176.330 174.700 -0.365 0.000 1.022 315 T CA -0.230 61.671 62.100 -0.331 0.000 0.980 315 T CB 0.107 68.731 68.868 -0.405 0.000 1.044 315 T HN 0.244 8.484 8.240 -0.000 0.000 0.501 316 L N 3.218 124.303 121.223 -0.230 0.000 2.127 316 L HA -0.102 3.797 4.340 -0.735 0.000 0.211 316 L C 2.579 179.223 176.870 -0.375 0.000 1.089 316 L CA 1.957 56.660 54.840 -0.227 0.000 0.757 316 L CB -0.927 41.062 42.059 -0.115 0.000 0.899 316 L HN 0.592 8.822 8.230 -0.000 0.000 0.434 317 H N -1.033 117.636 119.070 -0.669 0.000 2.518 317 H HA -0.139 3.975 4.556 -0.735 0.000 0.289 317 H C 1.942 176.930 175.328 -0.567 0.000 1.051 317 H CA 1.427 56.770 56.048 -1.175 0.000 1.280 317 H CB -0.765 28.234 29.762 -1.273 0.000 1.380 317 H HN 0.448 8.728 8.280 -0.000 0.000 0.566 318 L N 0.570 121.165 121.223 -1.046 0.000 2.265 318 L HA -0.108 3.791 4.340 -0.735 0.000 0.215 318 L C 1.784 178.431 176.870 -0.371 0.000 1.117 318 L CA 1.241 55.656 54.840 -0.708 0.000 0.782 318 L CB -0.197 41.481 42.059 -0.636 0.000 0.914 318 L HN 0.220 8.450 8.230 -0.000 0.000 0.441 319 K N -0.596 119.619 120.400 -0.308 0.000 2.437 319 K HA 0.086 3.964 4.320 -0.735 0.000 0.198 319 K C 0.792 177.332 176.600 -0.100 0.000 1.024 319 K CA -0.173 56.014 56.287 -0.165 0.000 1.148 319 K CB 0.407 32.831 32.500 -0.127 0.000 0.860 319 K HN 0.023 8.273 8.250 -0.000 0.000 0.515 320 S N 1.049 116.669 115.700 -0.132 0.000 2.562 320 S HA 0.015 4.044 4.470 -0.735 0.000 0.281 320 S C 1.124 175.720 174.600 -0.007 0.000 1.333 320 S CA 0.041 58.225 58.200 -0.027 0.000 1.052 320 S CB 0.690 63.870 63.200 -0.032 0.000 0.884 320 S HN 0.414 8.724 8.310 -0.000 0.000 0.506 321 T N 3.739 118.311 114.554 0.029 0.000 3.238 321 T HA 0.322 4.230 4.350 -0.735 0.000 0.242 321 T C 1.000 175.719 174.700 0.032 0.000 0.980 321 T CA -0.361 61.755 62.100 0.025 0.000 1.235 321 T CB -0.695 68.192 68.868 0.032 0.000 1.069 321 T HN 0.513 8.753 8.240 -0.000 0.000 0.407 322 L N 1.796 123.042 121.223 0.038 0.000 2.461 322 L HA 0.320 4.219 4.340 -0.735 0.000 0.259 322 L C 0.714 177.610 176.870 0.043 0.000 1.248 322 L CA -0.283 54.578 54.840 0.035 0.000 0.823 322 L CB 0.025 42.101 42.059 0.029 0.000 1.111 322 L HN 0.386 8.616 8.230 -0.000 0.000 0.516 323 E N -0.711 119.512 120.200 0.038 0.000 2.322 323 E HA 0.156 4.065 4.350 -0.735 0.000 0.257 323 E C 0.290 176.919 176.600 0.047 0.000 1.155 323 E CA 0.120 56.545 56.400 0.041 0.000 0.936 323 E CB 1.063 30.784 29.700 0.035 0.000 1.130 323 E HN 0.731 9.091 8.360 -0.000 0.000 0.465 324 T N -2.774 111.810 114.554 0.050 0.000 3.003 324 T HA 0.312 4.221 4.350 -0.735 0.000 0.261 324 T C 1.270 175.997 174.700 0.045 0.000 1.003 324 T CA 0.330 62.461 62.100 0.052 0.000 0.917 324 T CB 0.532 69.439 68.868 0.065 0.000 1.084 324 T HN 0.744 8.984 8.240 -0.000 0.000 0.522 325 G N 0.767 109.593 108.800 0.043 0.000 2.299 325 G HA2 -0.281 3.238 3.960 -0.735 0.000 0.237 325 G HA3 -0.281 3.238 3.960 -0.735 0.000 0.237 325 G C 0.406 175.331 174.900 0.042 0.000 1.027 325 G CA -0.105 45.020 45.100 0.042 0.000 0.619 325 G HN 0.750 9.040 8.290 -0.000 0.000 0.513 326 C N 1.561 120.886 119.300 0.042 0.000 2.500 326 C HA 0.846 4.865 4.460 -0.735 0.000 0.367 326 C C 1.018 176.029 174.990 0.035 0.000 1.283 326 C CA 0.659 59.700 59.018 0.039 0.000 2.456 326 C CB 0.942 28.704 27.740 0.036 0.000 2.457 326 C HN 1.103 9.333 8.230 -0.000 0.000 0.632 327 T N -2.281 112.292 114.554 0.032 0.000 2.841 327 T HA 0.347 4.256 4.350 -0.735 0.000 0.296 327 T C 0.371 175.062 174.700 -0.014 0.000 1.166 327 T CA -0.594 61.520 62.100 0.023 0.000 1.007 327 T CB 1.049 69.950 68.868 0.055 0.000 1.253 327 T HN 0.665 8.905 8.240 -0.000 0.000 0.511 328 E N -0.355 119.797 120.200 -0.080 0.000 2.273 328 E HA -0.192 3.717 4.350 -0.735 0.000 0.198 328 E C 1.244 177.681 176.600 -0.273 0.000 1.002 328 E CA 1.214 57.497 56.400 -0.195 0.000 0.828 328 E CB -0.136 29.389 29.700 -0.293 0.000 0.747 328 E HN 0.541 8.901 8.360 -0.000 0.000 0.491 329 H N -1.213 117.864 119.070 0.012 0.000 2.654 329 H HA 0.328 4.443 4.556 -0.735 0.000 0.264 329 H C 0.401 175.735 175.328 0.009 0.000 0.954 329 H CA 0.264 56.318 56.048 0.010 0.000 1.199 329 H CB 1.092 30.860 29.762 0.010 0.000 1.446 329 H HN 0.081 8.361 8.280 -0.000 0.000 0.516 330 I N 0.502 121.138 120.570 0.110 0.000 2.644 330 I HA 0.183 3.912 4.170 -0.735 0.000 0.291 330 I C -1.105 175.039 176.117 0.045 0.000 1.180 330 I CA -0.734 60.609 61.300 0.072 0.000 1.040 330 I CB 2.112 40.154 38.000 0.070 0.000 1.255 330 I HN 0.002 8.212 8.210 -0.000 0.000 0.422 331 C N 7.808 127.128 119.300 0.034 0.000 2.307 331 C HA 0.543 4.562 4.460 -0.735 0.000 0.340 331 C C 0.726 175.736 174.990 0.034 0.000 1.275 331 C CA -0.449 58.585 59.018 0.027 0.000 1.811 331 C CB 0.227 27.975 27.740 0.013 0.000 2.372 331 C HN 0.849 9.079 8.230 -0.000 0.000 0.531 332 M N 4.975 124.600 119.600 0.041 0.000 2.685 332 M HA 0.213 4.252 4.480 -0.735 0.000 0.355 332 M C 1.780 178.116 176.300 0.060 0.000 1.197 332 M CA -0.023 55.306 55.300 0.048 0.000 0.947 332 M CB 0.222 32.851 32.600 0.048 0.000 1.346 332 M HN 0.953 9.243 8.290 -0.000 0.000 0.516 333 G N 1.183 110.018 108.800 0.058 0.000 2.499 333 G HA2 -0.217 3.302 3.960 -0.735 0.000 0.221 333 G HA3 -0.217 3.302 3.960 -0.735 0.000 0.221 333 G C 1.430 176.399 174.900 0.115 0.000 1.109 333 G CA 1.507 46.653 45.100 0.077 0.000 0.749 333 G HN 0.582 8.872 8.290 -0.000 0.000 0.568 334 S N -0.381 115.382 115.700 0.105 0.000 2.557 334 S HA 0.365 4.394 4.470 -0.735 0.000 0.223 334 S C 0.576 175.256 174.600 0.134 0.000 0.969 334 S CA -0.643 57.637 58.200 0.135 0.000 0.927 334 S CB 0.101 63.364 63.200 0.105 0.000 0.806 334 S HN 0.007 8.317 8.310 -0.000 0.000 0.489 335 I N 2.605 123.243 120.570 0.113 0.000 2.416 335 I HA 0.242 3.971 4.170 -0.735 0.000 0.288 335 I C 1.590 177.786 176.117 0.131 0.000 1.051 335 I CA -0.174 61.186 61.300 0.101 0.000 1.375 335 I CB 0.323 38.365 38.000 0.071 0.000 1.407 335 I HN 0.289 8.499 8.210 -0.000 0.000 0.516 336 M N 5.599 125.283 119.600 0.141 0.000 2.117 336 M HA -0.084 3.954 4.480 -0.735 0.000 0.262 336 M C 0.396 176.747 176.300 0.085 0.000 1.065 336 M CA 1.878 57.282 55.300 0.174 0.000 1.114 336 M CB -0.020 32.671 32.600 0.151 0.000 1.361 336 M HN 0.402 8.692 8.290 -0.000 0.000 0.408 337 L N 0.369 121.608 121.223 0.028 0.000 2.495 337 L HA 0.368 4.267 4.340 -0.735 0.000 0.248 337 L C -2.143 174.753 176.870 0.042 0.000 1.229 337 L CA -1.645 53.200 54.840 0.008 0.000 0.942 337 L CB -0.054 41.947 42.059 -0.098 0.000 1.242 337 L HN 0.005 8.235 8.230 -0.000 0.000 0.484 349 R N 1.973 122.451 120.500 -0.037 0.000 2.560 349 R HA 0.618 4.517 4.340 -0.735 0.000 0.270 349 R C -0.019 176.264 176.300 -0.029 0.000 1.074 349 R CA 0.212 56.294 56.100 -0.030 0.000 1.140 349 R CB 1.402 31.679 30.300 -0.039 0.000 1.073 349 R HN 0.926 9.196 8.270 -0.000 0.000 0.527 350 T N -1.939 112.607 114.554 -0.014 0.000 2.927 350 T HA 0.227 4.136 4.350 -0.735 0.000 0.281 350 T C 1.023 175.711 174.700 -0.020 0.000 0.998 350 T CA -0.930 61.166 62.100 -0.006 0.000 1.019 350 T CB 1.505 70.385 68.868 0.020 0.000 1.061 350 T HN 0.449 8.689 8.240 -0.000 0.000 0.518 351 K N 0.526 120.916 120.400 -0.018 0.000 2.044 351 K HA -0.171 3.708 4.320 -0.735 0.000 0.210 351 K C 1.726 178.367 176.600 0.069 0.000 1.049 351 K CA 2.134 58.371 56.287 -0.083 0.000 0.927 351 K CB -0.356 32.182 32.500 0.064 0.000 0.713 351 K HN 0.620 8.870 8.250 -0.000 0.000 0.443 352 D N 0.888 121.420 120.400 0.221 0.000 2.133 352 D HA -0.180 4.019 4.640 -0.735 0.000 0.195 352 D C 2.039 178.464 176.300 0.209 0.000 0.997 352 D CA 1.343 55.513 54.000 0.283 0.000 0.840 352 D CB -0.247 40.642 40.800 0.148 0.000 0.947 352 D HN 0.349 8.719 8.370 -0.000 0.000 0.452 353 Q N -0.414 119.448 119.800 0.102 0.000 2.079 353 Q HA -0.068 3.831 4.340 -0.735 0.000 0.200 353 Q C 2.186 178.221 176.000 0.058 0.000 0.974 353 Q CA 0.467 56.310 55.803 0.068 0.000 0.840 353 Q CB -0.145 28.612 28.738 0.032 0.000 0.898 353 Q HN 0.184 8.454 8.270 -0.000 0.000 0.430 354 L N 0.272 121.491 121.223 -0.008 0.000 2.046 354 L HA -0.132 3.767 4.340 -0.735 0.000 0.208 354 L C 1.877 178.723 176.870 -0.039 0.000 1.077 354 L CA 1.600 56.406 54.840 -0.056 0.000 0.747 354 L CB -0.587 41.377 42.059 -0.158 0.000 0.896 354 L HN 0.108 8.338 8.230 -0.000 0.000 0.432 355 F N -0.010 119.951 119.950 0.018 0.000 2.043 355 F HA -0.263 3.824 4.527 -0.734 0.000 0.297 355 F C -0.026 175.777 175.800 0.004 0.000 1.118 355 F CA 2.242 60.235 58.000 -0.011 0.000 1.202 355 F CB -2.131 36.860 39.000 -0.015 0.000 0.965 355 F HN 0.204 8.504 8.300 -0.000 0.000 0.482 356 P HA -0.169 4.251 4.420 -0.000 0.000 0.215 356 P C 1.802 179.179 177.300 0.129 0.000 1.153 356 P CA 1.483 64.668 63.100 0.142 0.000 0.853 356 P CB -0.105 31.662 31.700 0.112 0.000 0.788 357 L N -0.974 120.320 121.223 0.118 0.000 2.012 357 L HA -0.201 3.698 4.340 -0.735 0.000 0.210 357 L C 2.519 179.496 176.870 0.179 0.000 1.073 357 L CA 1.794 56.709 54.840 0.125 0.000 0.748 357 L CB -1.344 40.770 42.059 0.092 0.000 0.891 357 L HN -0.040 8.190 8.230 -0.000 0.000 0.431 358 A N 0.004 122.916 122.820 0.152 0.000 1.902 358 A HA -0.249 3.630 4.320 -0.735 0.000 0.217 358 A C 2.420 180.113 177.584 0.182 0.000 1.181 358 A CA 1.961 54.088 52.037 0.151 0.000 0.623 358 A CB -0.450 18.442 19.000 -0.180 0.000 0.818 358 A HN 0.339 8.489 8.150 -0.000 0.000 0.443 359 K N -0.241 120.244 120.400 0.142 0.000 2.057 359 K HA -0.193 3.686 4.320 -0.735 0.000 0.206 359 K C 2.114 178.824 176.600 0.182 0.000 1.050 359 K CA 1.546 57.920 56.287 0.146 0.000 0.935 359 K CB -0.180 32.389 32.500 0.115 0.000 0.715 359 K HN 0.624 8.874 8.250 -0.000 0.000 0.439 360 E N -0.100 120.209 120.200 0.182 0.000 2.058 360 E HA -0.228 3.681 4.350 -0.735 0.000 0.194 360 E C 1.912 178.642 176.600 0.217 0.000 0.997 360 E CA 1.249 57.756 56.400 0.179 0.000 0.801 360 E CB -0.224 29.570 29.700 0.156 0.000 0.746 360 E HN 0.343 8.703 8.360 -0.000 0.000 0.450 361 F N 1.594 121.619 119.950 0.124 0.000 2.075 361 F HA -0.150 3.937 4.527 -0.734 0.000 0.297 361 F C 2.089 177.980 175.800 0.152 0.000 1.113 361 F CA 1.396 59.480 58.000 0.140 0.000 1.218 361 F CB -0.457 38.633 39.000 0.149 0.000 0.984 361 F HN -0.010 8.290 8.300 -0.000 0.000 0.472 362 L N 0.005 121.224 121.223 -0.007 0.000 2.079 362 L HA -0.237 3.662 4.340 -0.735 0.000 0.210 362 L C 2.149 179.014 176.870 -0.009 0.000 1.081 362 L CA 1.437 56.259 54.840 -0.030 0.000 0.752 362 L CB -0.909 41.267 42.059 0.195 0.000 0.896 362 L HN 0.130 8.360 8.230 -0.000 0.000 0.433 363 D N -0.086 120.370 120.400 0.094 0.000 2.097 363 D HA -0.218 3.980 4.640 -0.735 0.000 0.195 363 D C 2.269 178.617 176.300 0.080 0.000 0.989 363 D CA 1.525 55.651 54.000 0.209 0.000 0.827 363 D CB -0.213 40.826 40.800 0.398 0.000 0.966 363 D HN 0.544 8.914 8.370 -0.000 0.000 0.456 364 Q N -0.523 119.256 119.800 -0.035 0.000 2.167 364 Q HA -0.202 3.697 4.340 -0.735 0.000 0.202 364 Q C 2.187 177.994 176.000 -0.321 0.000 0.970 364 Q CA 0.934 56.673 55.803 -0.108 0.000 0.855 364 Q CB -0.635 28.099 28.738 -0.007 0.000 0.911 364 Q HN 0.351 8.621 8.270 -0.000 0.000 0.438 365 Y N 0.781 120.653 120.300 -0.712 0.000 2.089 365 Y HA -0.250 3.859 4.550 -0.734 0.000 0.282 365 Y C 1.652 177.078 175.900 -0.791 0.000 1.139 365 Y CA 1.607 59.007 58.100 -1.167 0.000 1.123 365 Y CB -0.622 37.038 38.460 -1.332 0.000 0.980 365 Y HN 0.081 8.361 8.280 -0.000 0.000 0.493 366 Y N -0.567 119.331 120.300 -0.671 0.000 2.274 366 Y HA -0.218 3.891 4.550 -0.735 0.000 0.290 366 Y C 3.091 178.766 175.900 -0.374 0.000 1.145 366 Y CA 1.800 59.533 58.100 -0.612 0.000 1.203 366 Y CB -0.709 37.338 38.460 -0.689 0.000 0.984 366 Y HN 0.241 8.521 8.280 -0.000 0.000 0.533 367 S N -0.522 115.114 115.700 -0.106 0.000 2.368 367 S HA -0.206 3.823 4.470 -0.735 0.000 0.225 367 S C 2.354 176.848 174.600 -0.176 0.000 1.030 367 S CA 1.508 59.669 58.200 -0.066 0.000 0.999 367 S CB -0.650 62.453 63.200 -0.161 0.000 0.844 367 S HN 0.599 8.909 8.310 -0.000 0.000 0.459 368 S N 2.047 117.570 115.700 -0.295 0.000 2.399 368 S HA -0.055 3.974 4.470 -0.735 0.000 0.231 368 S C 1.654 176.102 174.600 -0.253 0.000 1.022 368 S CA 1.114 59.176 58.200 -0.229 0.000 0.983 368 S CB -0.985 62.081 63.200 -0.224 0.000 0.803 368 S HN 0.814 9.124 8.310 -0.000 0.000 0.480 369 I N -2.308 118.013 120.570 -0.416 0.000 3.855 369 I HA 0.412 4.141 4.170 -0.735 0.000 0.327 369 I C -0.014 175.997 176.117 -0.175 0.000 1.359 369 I CA -0.556 60.546 61.300 -0.330 0.000 1.142 369 I CB -0.617 37.070 38.000 -0.522 0.000 1.041 369 I HN 0.021 8.231 8.210 -0.000 0.000 0.403 370 K N 1.786 122.116 120.400 -0.116 0.000 3.071 370 K HA -0.172 3.707 4.320 -0.735 0.000 0.265 370 K C 0.231 176.836 176.600 0.010 0.000 1.060 370 K CA 0.620 56.886 56.287 -0.035 0.000 0.767 370 K CB -1.354 31.128 32.500 -0.031 0.000 1.241 370 K HN 0.585 8.835 8.250 -0.000 0.000 0.486 371 R N 0.230 120.754 120.500 0.040 0.000 2.668 371 R HA 0.141 4.039 4.340 -0.735 0.000 0.435 371 R C -0.541 175.857 176.300 0.164 0.000 1.059 371 R CA -0.469 55.695 56.100 0.106 0.000 1.073 371 R CB 0.323 30.713 30.300 0.149 0.000 1.401 371 R HN 0.117 8.387 8.270 -0.000 0.000 0.590 372 F N 0.986 120.955 119.950 0.033 0.000 2.541 372 F HA 0.232 4.317 4.527 -0.736 0.000 0.378 372 F C 1.367 177.264 175.800 0.161 0.000 1.068 372 F CA 1.502 59.561 58.000 0.099 0.000 1.199 372 F CB 0.819 39.837 39.000 0.029 0.000 1.091 372 F HN 0.452 8.752 8.300 -0.000 0.000 0.555 373 G N 3.252 111.879 108.800 -0.288 0.000 2.159 373 G HA2 -0.268 3.251 3.960 -0.735 0.000 0.256 373 G HA3 -0.268 3.251 3.960 -0.735 0.000 0.256 373 G C 0.251 175.025 174.900 -0.209 0.000 0.977 373 G CA 0.304 45.172 45.100 -0.386 0.000 0.652 373 G HN 1.140 9.430 8.290 -0.000 0.000 0.531 374 S N -0.742 114.889 115.700 -0.116 0.000 2.645 374 S HA 0.552 4.581 4.470 -0.735 0.000 0.266 374 S C 1.388 175.900 174.600 -0.147 0.000 1.258 374 S CA 0.466 58.613 58.200 -0.088 0.000 0.990 374 S CB 1.879 65.068 63.200 -0.018 0.000 0.967 374 S HN 0.424 8.734 8.310 -0.000 0.000 0.556 375 K N 0.600 120.936 120.400 -0.107 0.000 2.057 375 K HA -0.129 3.749 4.320 -0.735 0.000 0.207 375 K C 2.270 178.793 176.600 -0.128 0.000 1.049 375 K CA 1.311 57.529 56.287 -0.115 0.000 0.931 375 K CB -0.930 31.528 32.500 -0.070 0.000 0.714 375 K HN 0.764 9.014 8.250 -0.000 0.000 0.440 376 A N 0.824 123.591 122.820 -0.089 0.000 1.892 376 A HA -0.272 3.607 4.320 -0.735 0.000 0.218 376 A C 2.055 179.458 177.584 -0.302 0.000 1.188 376 A CA 2.014 54.012 52.037 -0.066 0.000 0.631 376 A CB -1.110 17.943 19.000 0.088 0.000 0.822 376 A HN 0.669 8.819 8.150 -0.000 0.000 0.447 377 H N -1.377 117.244 119.070 -0.749 0.000 2.290 377 H HA -0.158 3.957 4.556 -0.735 0.000 0.298 377 H C 2.119 177.060 175.328 -0.646 0.000 1.087 377 H CA 1.641 56.914 56.048 -1.291 0.000 1.291 377 H CB -0.089 29.093 29.762 -0.966 0.000 1.369 377 H HN 0.343 8.623 8.280 -0.000 0.000 0.492 378 M N 0.947 120.277 119.600 -0.450 0.000 2.080 378 M HA -0.157 3.882 4.480 -0.735 0.000 0.260 378 M C 1.777 177.945 176.300 -0.219 0.000 1.068 378 M CA 1.194 56.267 55.300 -0.379 0.000 1.109 378 M CB -0.898 31.517 32.600 -0.309 0.000 1.342 378 M HN 0.343 8.633 8.290 -0.000 0.000 0.405 379 D N -0.053 120.248 120.400 -0.166 0.000 2.087 379 D HA -0.181 4.017 4.640 -0.735 0.000 0.192 379 D C 2.079 178.344 176.300 -0.058 0.000 0.993 379 D CA 1.401 55.347 54.000 -0.090 0.000 0.828 379 D CB -0.371 40.395 40.800 -0.056 0.000 0.968 379 D HN 0.134 8.504 8.370 -0.000 0.000 0.448 380 R N 0.668 121.139 120.500 -0.048 0.000 2.096 380 R HA -0.130 3.769 4.340 -0.735 0.000 0.240 380 R C 2.148 178.457 176.300 0.015 0.000 1.139 380 R CA 0.945 57.065 56.100 0.034 0.000 0.952 380 R CB -1.117 29.271 30.300 0.147 0.000 0.854 380 R HN 0.211 8.481 8.270 -0.000 0.000 0.436 381 L N 0.820 122.028 121.223 -0.026 0.000 2.042 381 L HA -0.119 3.779 4.340 -0.735 0.000 0.210 381 L C 2.073 178.920 176.870 -0.038 0.000 1.076 381 L CA 2.348 57.172 54.840 -0.026 0.000 0.749 381 L CB -0.962 41.048 42.059 -0.081 0.000 0.893 381 L HN 0.349 8.579 8.230 -0.000 0.000 0.432 382 E N -0.036 120.130 120.200 -0.057 0.000 2.072 382 E HA -0.272 3.637 4.350 -0.735 0.000 0.191 382 E C 2.167 178.761 176.600 -0.010 0.000 0.985 382 E CA 1.725 58.101 56.400 -0.041 0.000 0.801 382 E CB -0.313 29.354 29.700 -0.055 0.000 0.750 382 E HN 0.657 9.017 8.360 -0.000 0.000 0.452 383 E N -0.386 119.812 120.200 -0.004 0.000 2.058 383 E HA -0.173 3.736 4.350 -0.735 0.000 0.194 383 E C 2.001 178.611 176.600 0.018 0.000 0.997 383 E CA 1.752 58.162 56.400 0.015 0.000 0.801 383 E CB -0.040 29.678 29.700 0.029 0.000 0.746 383 E HN 0.211 8.571 8.360 -0.000 0.000 0.450 384 V N 2.054 121.961 119.914 -0.011 0.000 2.343 384 V HA -0.247 3.432 4.120 -0.735 0.000 0.247 384 V C 2.484 178.539 176.094 -0.065 0.000 1.051 384 V CA 1.838 64.081 62.300 -0.094 0.000 1.036 384 V CB -0.815 30.846 31.823 -0.270 0.000 0.654 384 V HN 0.411 8.601 8.190 -0.000 0.000 0.451 385 N N 0.587 119.301 118.700 0.024 0.000 2.104 385 N HA -0.197 4.102 4.740 -0.735 0.000 0.190 385 N C 1.878 177.518 175.510 0.217 0.000 1.024 385 N CA 1.679 54.846 53.050 0.194 0.000 0.853 385 N CB -0.062 38.493 38.487 0.113 0.000 1.008 385 N HN 0.528 8.908 8.380 -0.000 0.000 0.424 386 K N 0.690 121.149 120.400 0.099 0.000 2.026 386 K HA -0.138 3.741 4.320 -0.735 0.000 0.208 386 K C 1.956 178.606 176.600 0.085 0.000 1.048 386 K CA 1.059 57.397 56.287 0.084 0.000 0.929 386 K CB -0.185 32.342 32.500 0.045 0.000 0.713 386 K HN 0.310 8.560 8.250 -0.000 0.000 0.439 387 E N 1.234 121.472 120.200 0.063 0.000 2.085 387 E HA -0.201 3.708 4.350 -0.735 0.000 0.194 387 E C 1.946 178.573 176.600 0.045 0.000 0.994 387 E CA 1.086 57.521 56.400 0.060 0.000 0.801 387 E CB -0.007 29.741 29.700 0.080 0.000 0.743 387 E HN 0.249 8.609 8.360 -0.000 0.000 0.453 388 I N 0.861 121.432 120.570 0.001 0.000 2.163 388 I HA -0.222 3.507 4.170 -0.735 0.000 0.240 388 I C 2.605 178.697 176.117 -0.041 0.000 1.081 388 I CA 0.890 62.107 61.300 -0.139 0.000 1.353 388 I CB -0.353 37.288 38.000 -0.597 0.000 1.054 388 I HN 0.124 8.334 8.210 -0.000 0.000 0.407 389 E N 0.532 120.834 120.200 0.171 0.000 2.130 389 E HA -0.221 3.688 4.350 -0.735 0.000 0.196 389 E C 2.221 178.885 176.600 0.108 0.000 0.998 389 E CA 1.589 58.135 56.400 0.243 0.000 0.806 389 E CB -0.157 29.690 29.700 0.246 0.000 0.738 389 E HN 0.349 8.709 8.360 -0.000 0.000 0.459 390 S N -0.551 115.193 115.700 0.074 0.000 2.311 390 S HA -0.087 3.942 4.470 -0.735 0.000 0.209 390 S C 2.052 176.669 174.600 0.028 0.000 1.029 390 S CA 2.095 60.323 58.200 0.046 0.000 0.968 390 S CB -0.472 62.753 63.200 0.042 0.000 0.946 390 S HN 0.434 8.744 8.310 -0.000 0.000 0.450 391 T N -0.035 114.532 114.554 0.021 0.000 3.113 391 T HA 0.069 3.978 4.350 -0.735 0.000 0.263 391 T C 1.158 175.850 174.700 -0.012 0.000 1.143 391 T CA 1.367 63.471 62.100 0.007 0.000 1.090 391 T CB -0.576 68.299 68.868 0.012 0.000 0.922 391 T HN 1.303 9.543 8.240 -0.000 0.000 0.521 392 S N -1.570 114.117 115.700 -0.022 0.000 3.361 392 S HA -0.193 3.836 4.470 -0.735 0.000 0.288 392 S C 0.273 174.830 174.600 -0.072 0.000 1.269 392 S CA 1.220 59.388 58.200 -0.054 0.000 0.976 392 S CB -2.783 60.395 63.200 -0.036 0.000 1.162 392 S HN 1.189 9.499 8.310 -0.000 0.000 0.643 393 T N -0.495 114.037 114.554 -0.036 0.000 2.658 393 T HA 0.625 4.533 4.350 -0.735 0.000 0.306 393 T C -1.743 173.037 174.700 0.134 0.000 1.544 393 T CA 0.008 62.110 62.100 0.003 0.000 0.991 393 T CB 0.918 69.740 68.868 -0.077 0.000 1.774 393 T HN 1.603 9.843 8.240 -0.000 0.000 0.479 394 Y N -0.680 119.564 120.300 -0.093 0.000 2.725 394 Y HA 0.818 4.928 4.550 -0.733 0.000 0.333 394 Y C -1.650 174.231 175.900 -0.032 0.000 1.242 394 Y CA -1.243 56.827 58.100 -0.050 0.000 1.059 394 Y CB 0.912 39.351 38.460 -0.035 0.000 1.306 394 Y HN 0.449 8.729 8.280 -0.000 0.000 0.454 395 Q N 2.000 121.816 119.800 0.027 0.000 2.342 395 Q HA 0.534 4.433 4.340 -0.735 0.000 0.267 395 Q C -1.110 174.925 176.000 0.058 0.000 1.038 395 Q CA -0.837 54.937 55.803 -0.049 0.000 0.832 395 Q CB 3.061 31.807 28.738 0.014 0.000 1.323 395 Q HN 0.786 9.056 8.270 -0.000 0.000 0.448 396 L N 1.506 122.730 121.223 0.002 0.000 2.399 396 L HA 0.369 4.268 4.340 -0.735 0.000 0.266 396 L C 0.677 177.575 176.870 0.046 0.000 1.114 396 L CA -0.824 54.062 54.840 0.077 0.000 0.804 396 L CB 0.468 42.548 42.059 0.035 0.000 1.146 396 L HN 0.198 8.428 8.230 -0.000 0.000 0.451 397 K N 1.063 121.486 120.400 0.037 0.000 2.168 397 K HA 0.061 3.940 4.320 -0.735 0.000 0.258 397 K C 0.438 177.022 176.600 -0.028 0.000 1.010 397 K CA -0.356 55.933 56.287 0.004 0.000 0.929 397 K CB 0.698 33.189 32.500 -0.013 0.000 0.998 397 K HN 0.459 8.709 8.250 -0.000 0.000 0.479 398 D N 0.758 121.144 120.400 -0.023 0.000 2.133 398 D HA -0.163 4.036 4.640 -0.735 0.000 0.195 398 D C 1.687 177.967 176.300 -0.034 0.000 0.997 398 D CA 2.117 56.097 54.000 -0.033 0.000 0.840 398 D CB -0.268 40.520 40.800 -0.020 0.000 0.947 398 D HN 0.735 9.105 8.370 -0.000 0.000 0.452 399 T N -0.761 113.774 114.554 -0.031 0.000 2.720 399 T HA -0.167 3.742 4.350 -0.735 0.000 0.268 399 T C 1.812 176.470 174.700 -0.070 0.000 1.037 399 T CA 1.263 63.357 62.100 -0.010 0.000 1.144 399 T CB -0.444 68.439 68.868 0.026 0.000 0.864 399 T HN 0.229 8.469 8.240 -0.000 0.000 0.444 400 E N 0.768 120.828 120.200 -0.233 0.000 2.150 400 E HA 0.016 3.925 4.350 -0.735 0.000 0.193 400 E C 2.077 178.738 176.600 0.102 0.000 0.985 400 E CA 0.788 57.056 56.400 -0.220 0.000 0.814 400 E CB -0.272 29.337 29.700 -0.151 0.000 0.752 400 E HN 0.322 8.682 8.360 -0.000 0.000 0.466 401 L N 1.025 122.245 121.223 -0.006 0.000 2.005 401 L HA -0.147 3.752 4.340 -0.735 0.000 0.207 401 L C 2.053 178.900 176.870 -0.039 0.000 1.072 401 L CA 1.555 56.346 54.840 -0.082 0.000 0.744 401 L CB -0.227 41.739 42.059 -0.155 0.000 0.895 401 L HN 0.095 8.325 8.230 -0.000 0.000 0.433 402 I N -1.591 118.982 120.570 0.006 0.000 2.208 402 I HA -0.352 3.377 4.170 -0.735 0.000 0.245 402 I C 2.402 178.614 176.117 0.157 0.000 1.097 402 I CA 1.764 63.086 61.300 0.037 0.000 1.363 402 I CB -0.515 37.506 38.000 0.036 0.000 1.051 402 I HN 0.370 8.580 8.210 -0.000 0.000 0.413 403 Y N 1.672 122.054 120.300 0.135 0.000 2.181 403 Y HA -0.191 3.918 4.550 -0.735 0.000 0.288 403 Y C 2.396 178.493 175.900 0.329 0.000 1.146 403 Y CA 1.680 59.945 58.100 0.274 0.000 1.164 403 Y CB -0.763 37.861 38.460 0.274 0.000 0.982 403 Y HN 0.078 8.358 8.280 -0.000 0.000 0.515 404 G N -0.120 108.870 108.800 0.317 0.000 2.421 404 G HA2 -0.269 3.250 3.960 -0.735 0.000 0.216 404 G HA3 -0.269 3.250 3.960 -0.735 0.000 0.216 404 G C 1.817 176.686 174.900 -0.052 0.000 1.171 404 G CA 1.061 46.234 45.100 0.123 0.000 0.775 404 G HN 0.615 8.905 8.290 -0.000 0.000 0.543 405 A N 0.847 123.627 122.820 -0.067 0.000 1.877 405 A HA -0.014 3.865 4.320 -0.735 0.000 0.216 405 A C 2.309 179.921 177.584 0.047 0.000 1.186 405 A CA 2.008 53.995 52.037 -0.085 0.000 0.620 405 A CB -0.391 18.566 19.000 -0.072 0.000 0.822 405 A HN 0.373 8.523 8.150 -0.000 0.000 0.443 406 K N -1.401 119.074 120.400 0.126 0.000 2.057 406 K HA -0.182 3.697 4.320 -0.735 0.000 0.207 406 K C 1.958 178.638 176.600 0.132 0.000 1.049 406 K CA 1.787 58.225 56.287 0.253 0.000 0.931 406 K CB -0.313 32.358 32.500 0.286 0.000 0.714 406 K HN 0.641 8.891 8.250 -0.000 0.000 0.440 407 H N -0.118 118.888 119.070 -0.106 0.000 2.428 407 H HA 0.042 4.156 4.556 -0.736 0.000 0.296 407 H C 1.880 177.079 175.328 -0.215 0.000 1.062 407 H CA 1.160 57.036 56.048 -0.288 0.000 1.350 407 H CB -0.071 29.408 29.762 -0.472 0.000 1.403 407 H HN 0.253 8.533 8.280 -0.000 0.000 0.533 408 A N 0.365 123.094 122.820 -0.151 0.000 1.902 408 A HA -0.205 3.674 4.320 -0.735 0.000 0.217 408 A C 2.050 179.614 177.584 -0.035 0.000 1.181 408 A CA 1.478 53.310 52.037 -0.342 0.000 0.623 408 A CB -0.938 17.472 19.000 -0.984 0.000 0.818 408 A HN 0.607 8.757 8.150 -0.000 0.000 0.443 409 W N 0.874 122.161 121.300 -0.021 0.000 2.379 409 W HA -0.088 4.133 4.660 -0.732 0.000 0.307 409 W C 2.305 178.774 176.519 -0.084 0.000 1.200 409 W CA 1.404 58.796 57.345 0.078 0.000 1.297 409 W CB -0.685 28.803 29.460 0.047 0.000 1.140 409 W HN 0.352 8.532 8.180 -0.000 0.000 0.507 410 R N 0.295 120.694 120.500 -0.169 0.000 2.127 410 R HA -0.186 3.713 4.340 -0.735 0.000 0.238 410 R C 1.469 177.570 176.300 -0.332 0.000 1.134 410 R CA 1.776 57.526 56.100 -0.584 0.000 0.975 410 R CB -0.480 29.056 30.300 -1.274 0.000 0.865 410 R HN 0.110 8.380 8.270 -0.000 0.000 0.447 411 N N 0.112 118.694 118.700 -0.197 0.000 2.398 411 N HA 0.023 4.322 4.740 -0.735 0.000 0.188 411 N C -0.382 175.087 175.510 -0.068 0.000 1.122 411 N CA 0.508 53.479 53.050 -0.133 0.000 0.866 411 N CB 0.597 39.019 38.487 -0.108 0.000 0.970 411 N HN 0.129 8.509 8.380 -0.000 0.000 0.462 412 A N 1.226 124.057 122.820 0.019 0.000 2.655 412 A HA 0.147 4.026 4.320 -0.735 0.000 0.297 412 A C 1.443 179.020 177.584 -0.011 0.000 1.461 412 A CA -0.181 51.877 52.037 0.034 0.000 1.146 412 A CB -0.294 18.786 19.000 0.134 0.000 1.108 412 A HN 0.276 8.426 8.150 -0.000 0.000 0.550 413 S N 2.570 118.223 115.700 -0.078 0.000 2.465 413 S HA -0.179 3.850 4.470 -0.735 0.000 0.241 413 S C 1.437 175.994 174.600 -0.072 0.000 1.000 413 S CA 1.282 59.433 58.200 -0.081 0.000 0.964 413 S CB -0.218 62.900 63.200 -0.136 0.000 0.763 413 S HN 0.761 9.071 8.310 -0.000 0.000 0.512 414 R N -0.530 119.900 120.500 -0.117 0.000 2.334 414 R HA 0.281 4.180 4.340 -0.735 0.000 0.216 414 R C 0.124 176.442 176.300 0.029 0.000 0.905 414 R CA -0.023 56.027 56.100 -0.083 0.000 1.064 414 R CB -0.014 30.040 30.300 -0.410 0.000 1.046 414 R HN 0.427 8.697 8.270 -0.000 0.000 0.508 415 C N 0.657 119.962 119.300 0.009 0.000 2.325 415 C HA 0.221 4.239 4.460 -0.735 0.000 0.347 415 C C 1.896 176.864 174.990 -0.036 0.000 1.263 415 C CA -0.645 58.405 59.018 0.052 0.000 1.806 415 C CB 0.668 28.508 27.740 0.166 0.000 2.405 415 C HN 0.281 8.511 8.230 -0.000 0.000 0.537 416 V N 6.003 125.854 119.914 -0.105 0.000 3.306 416 V HA 0.215 3.894 4.120 -0.735 0.000 0.264 416 V C 1.734 177.894 176.094 0.111 0.000 1.149 416 V CA 2.042 64.197 62.300 -0.242 0.000 1.143 416 V CB -0.142 31.548 31.823 -0.222 0.000 0.767 416 V HN 1.074 9.264 8.190 -0.000 0.000 0.476 417 G N -0.529 108.349 108.800 0.130 0.000 3.448 417 G HA2 0.062 3.581 3.960 -0.735 0.000 0.261 417 G HA3 0.062 3.581 3.960 -0.735 0.000 0.261 417 G C 1.198 176.147 174.900 0.082 0.000 1.173 417 G CA -0.344 44.841 45.100 0.141 0.000 0.835 417 G HN 0.447 8.737 8.290 -0.000 0.000 0.534 418 R N -0.166 120.322 120.500 -0.020 0.000 2.328 418 R HA 0.137 4.036 4.340 -0.735 0.000 0.207 418 R C 1.971 177.759 176.300 -0.855 0.000 1.056 418 R CA 0.104 55.902 56.100 -0.503 0.000 1.016 418 R CB -0.138 29.950 30.300 -0.353 0.000 0.872 418 R HN 0.441 8.711 8.270 -0.000 0.000 0.471 419 I N 0.982 121.171 120.570 -0.634 0.000 2.700 419 I HA -0.238 3.491 4.170 -0.735 0.000 0.261 419 I C 1.130 177.090 176.117 -0.262 0.000 1.219 419 I CA 1.265 62.315 61.300 -0.418 0.000 1.463 419 I CB 0.173 38.135 38.000 -0.064 0.000 1.092 419 I HN 0.212 8.422 8.210 -0.000 0.000 0.452 420 Q N 0.431 120.024 119.800 -0.346 0.000 2.280 420 Q HA -0.068 3.831 4.340 -0.735 0.000 0.201 420 Q C 1.544 177.082 176.000 -0.770 0.000 0.890 420 Q CA 0.144 55.743 55.803 -0.340 0.000 0.947 420 Q CB -0.105 28.601 28.738 -0.055 0.000 1.081 420 Q HN 0.765 9.035 8.270 -0.000 0.000 0.502 421 W N 1.307 121.887 121.300 -1.201 0.000 2.321 421 W HA -0.229 3.989 4.660 -0.736 0.000 0.306 421 W C 1.343 177.513 176.519 -0.582 0.000 1.217 421 W CA 1.645 58.143 57.345 -1.412 0.000 1.257 421 W CB -1.282 27.510 29.460 -1.114 0.000 1.145 421 W HN 0.161 8.341 8.180 -0.000 0.000 0.509 422 S N 0.827 115.578 115.700 -1.581 0.000 2.515 422 S HA -0.042 3.987 4.470 -0.735 0.000 0.231 422 S C 1.465 175.738 174.600 -0.544 0.000 0.987 422 S CA 0.876 58.284 58.200 -1.320 0.000 0.936 422 S CB -0.463 61.843 63.200 -1.490 0.000 0.766 422 S HN 0.387 8.697 8.310 -0.000 0.000 0.528 423 K N 0.579 120.764 120.400 -0.357 0.000 2.404 423 K HA 0.288 4.167 4.320 -0.735 0.000 0.194 423 K C 0.019 176.631 176.600 0.020 0.000 1.023 423 K CA -0.361 55.853 56.287 -0.123 0.000 1.094 423 K CB -0.149 32.323 32.500 -0.047 0.000 0.841 423 K HN 0.297 8.547 8.250 -0.000 0.000 0.523 424 L N 2.248 123.531 121.223 0.101 0.000 2.578 424 L HA -0.080 3.819 4.340 -0.735 0.000 0.279 424 L C -0.022 176.833 176.870 -0.025 0.000 1.227 424 L CA 0.604 55.541 54.840 0.163 0.000 0.900 424 L CB 0.284 42.518 42.059 0.291 0.000 1.144 424 L HN 0.046 8.276 8.230 -0.000 0.000 0.496 425 Q N 3.744 123.477 119.800 -0.111 0.000 2.296 425 Q HA 0.463 4.362 4.340 -0.735 0.000 0.257 425 Q C -1.407 174.252 176.000 -0.567 0.000 0.942 425 Q CA -0.287 55.298 55.803 -0.364 0.000 0.939 425 Q CB 1.220 29.683 28.738 -0.457 0.000 1.198 425 Q HN 0.520 8.790 8.270 -0.000 0.000 0.429 426 V N 5.852 125.437 119.914 -0.548 0.000 2.370 426 V HA 0.430 4.109 4.120 -0.735 0.000 0.283 426 V C -0.805 174.951 176.094 -0.564 0.000 1.023 426 V CA -0.557 61.468 62.300 -0.458 0.000 0.857 426 V CB 0.542 32.221 31.823 -0.240 0.000 0.985 426 V HN 0.648 8.838 8.190 -0.000 0.000 0.443 427 F N 2.630 122.454 119.950 -0.211 0.000 2.361 427 F HA 0.362 4.452 4.527 -0.728 0.000 0.364 427 F C 0.487 176.127 175.800 -0.267 0.000 1.117 427 F CA -1.280 56.596 58.000 -0.206 0.000 1.071 427 F CB 1.033 39.924 39.000 -0.182 0.000 1.188 427 F HN 0.441 8.741 8.300 -0.000 0.000 0.464 428 D N 3.356 123.727 120.400 -0.049 0.000 2.383 428 D HA 0.286 4.485 4.640 -0.735 0.000 0.245 428 D C 0.342 176.481 176.300 -0.268 0.000 1.263 428 D CA 0.189 54.086 54.000 -0.172 0.000 0.936 428 D CB 0.895 41.634 40.800 -0.101 0.000 1.053 428 D HN 0.593 8.963 8.370 -0.000 0.000 0.507 429 A N 4.638 127.110 122.820 -0.580 0.000 2.610 429 A HA 0.150 4.029 4.320 -0.735 0.000 0.286 429 A C 1.695 178.980 177.584 -0.498 0.000 1.306 429 A CA -0.392 51.049 52.037 -0.994 0.000 0.942 429 A CB -0.040 17.835 19.000 -1.874 0.000 1.112 429 A HN 0.532 8.682 8.150 -0.000 0.000 0.527 430 R N 0.504 120.835 120.500 -0.281 0.000 2.285 430 R HA -0.092 3.807 4.340 -0.735 0.000 0.213 430 R C 0.776 177.022 176.300 -0.091 0.000 1.068 430 R CA 1.249 57.253 56.100 -0.160 0.000 1.004 430 R CB 0.039 30.288 30.300 -0.084 0.000 0.873 430 R HN 0.688 8.957 8.270 -0.000 0.000 0.467 431 D N -0.598 119.782 120.400 -0.034 0.000 2.340 431 D HA -0.062 4.137 4.640 -0.735 0.000 0.220 431 D C 0.437 176.809 176.300 0.120 0.000 1.039 431 D CA -0.204 53.829 54.000 0.055 0.000 0.866 431 D CB -0.529 40.329 40.800 0.096 0.000 0.913 431 D HN -0.014 8.356 8.370 -0.000 0.000 0.523 432 C N 1.286 120.652 119.300 0.110 0.000 2.676 432 C HA 0.398 4.417 4.460 -0.735 0.000 0.416 432 C C 1.882 177.040 174.990 0.281 0.000 1.299 432 C CA 0.915 60.084 59.018 0.253 0.000 2.048 432 C CB 0.038 27.963 27.740 0.309 0.000 2.713 432 C HN 0.584 8.814 8.230 -0.000 0.000 0.624 433 T N 0.115 114.880 114.554 0.352 0.000 2.993 433 T HA 0.255 4.164 4.350 -0.735 0.000 0.260 433 T C 0.312 175.185 174.700 0.288 0.000 0.939 433 T CA 0.627 62.951 62.100 0.374 0.000 0.886 433 T CB -0.138 68.868 68.868 0.230 0.000 1.209 433 T HN 0.899 9.139 8.240 -0.000 0.000 0.518 434 T N -1.690 113.015 114.554 0.252 0.000 2.887 434 T HA 0.809 4.718 4.350 -0.735 0.000 0.292 434 T C 1.450 176.237 174.700 0.146 0.000 1.087 434 T CA -0.177 62.017 62.100 0.157 0.000 1.009 434 T CB 1.451 70.421 68.868 0.169 0.000 1.203 434 T HN 0.117 8.357 8.240 -0.000 0.000 0.518 435 A N 0.056 122.939 122.820 0.105 0.000 1.933 435 A HA -0.042 3.837 4.320 -0.735 0.000 0.218 435 A C 1.995 179.612 177.584 0.056 0.000 1.175 435 A CA 1.837 53.922 52.037 0.081 0.000 0.628 435 A CB -1.450 17.630 19.000 0.134 0.000 0.814 435 A HN 1.000 9.150 8.150 -0.000 0.000 0.444 436 H N -0.852 118.313 119.070 0.158 0.000 2.389 436 H HA 0.020 5.320 4.556 1.241 0.000 0.299 436 H C 2.358 177.716 175.328 0.051 0.000 1.081 436 H CA 1.484 57.591 56.048 0.098 0.000 1.345 436 H CB -0.233 29.649 29.762 0.200 0.000 1.393 436 H HN 0.481 8.761 8.280 -0.000 0.000 0.520 437 G N -0.162 108.775 108.800 0.230 0.000 2.422 437 G HA2 -0.240 3.279 3.960 -0.735 0.000 0.218 437 G HA3 -0.240 3.279 3.960 -0.735 0.000 0.218 437 G C 1.584 176.658 174.900 0.291 0.000 1.146 437 G CA 0.837 46.078 45.100 0.236 0.000 0.769 437 G HN 0.294 8.584 8.290 -0.000 0.000 0.547 438 M N -0.587 119.115 119.600 0.170 0.000 2.132 438 M HA 0.098 4.137 4.480 -0.735 0.000 0.263 438 M C 2.273 178.611 176.300 0.064 0.000 1.065 438 M CA 1.059 56.404 55.300 0.074 0.000 1.122 438 M CB -0.359 32.061 32.600 -0.300 0.000 1.365 438 M HN 0.289 8.579 8.290 -0.000 0.000 0.411 439 F N 1.491 121.237 119.950 -0.340 0.000 2.095 439 F HA -0.317 3.873 4.527 -0.561 0.000 0.298 439 F C 2.139 177.820 175.800 -0.200 0.000 1.104 439 F CA 2.074 59.778 58.000 -0.493 0.000 1.232 439 F CB -0.296 37.949 39.000 -1.258 0.000 0.987 439 F HN 0.177 8.477 8.300 -0.000 0.000 0.475 440 N N -0.355 118.201 118.700 -0.240 0.000 2.069 440 N HA -0.275 4.024 4.740 -0.735 0.000 0.191 440 N C 1.838 177.202 175.510 -0.243 0.000 1.031 440 N CA 2.170 55.048 53.050 -0.286 0.000 0.852 440 N CB -0.853 37.550 38.487 -0.140 0.000 1.018 440 N HN 0.508 8.888 8.380 -0.000 0.000 0.423 441 Y N 0.353 120.604 120.300 -0.081 0.000 2.165 441 Y HA -0.082 4.021 4.550 -0.744 0.000 0.286 441 Y C 2.215 178.069 175.900 -0.077 0.000 1.155 441 Y CA 1.185 59.255 58.100 -0.049 0.000 1.164 441 Y CB -0.082 38.462 38.460 0.140 0.000 0.978 441 Y HN 0.136 8.416 8.280 -0.000 0.000 0.513 442 I N -1.607 119.030 120.570 0.112 0.000 2.252 442 I HA -0.339 3.390 4.170 -0.735 0.000 0.245 442 I C 2.228 178.268 176.117 -0.128 0.000 1.102 442 I CA 0.804 62.107 61.300 0.005 0.000 1.385 442 I CB -0.431 37.557 38.000 -0.020 0.000 1.064 442 I HN 0.320 8.530 8.210 -0.000 0.000 0.414 443 C N 0.727 119.830 119.300 -0.329 0.000 2.429 443 C HA -0.122 3.897 4.460 -0.735 0.000 0.277 443 C C 2.587 177.476 174.990 -0.167 0.000 1.262 443 C CA 0.771 59.595 59.018 -0.323 0.000 1.733 443 C CB -1.406 26.018 27.740 -0.527 0.000 2.010 443 C HN 0.546 8.776 8.230 -0.000 0.000 0.483 444 N N 0.008 118.595 118.700 -0.187 0.000 2.166 444 N HA -0.137 4.162 4.740 -0.735 0.000 0.186 444 N C 1.442 176.871 175.510 -0.136 0.000 1.019 444 N CA 1.434 54.370 53.050 -0.191 0.000 0.856 444 N CB -0.793 37.508 38.487 -0.309 0.000 0.993 444 N HN 0.766 9.146 8.380 -0.000 0.000 0.426 445 H N 0.201 119.147 119.070 -0.207 0.000 2.293 445 H HA -0.014 4.102 4.556 -0.735 0.000 0.300 445 H C 1.823 177.198 175.328 0.078 0.000 1.082 445 H CA 1.600 57.613 56.048 -0.058 0.000 1.308 445 H CB 0.056 29.829 29.762 0.018 0.000 1.375 445 H HN -0.096 8.184 8.280 -0.000 0.000 0.495 446 V N 1.100 121.174 119.914 0.266 0.000 2.287 446 V HA -0.286 3.393 4.120 -0.735 0.000 0.248 446 V C 2.510 178.688 176.094 0.141 0.000 1.053 446 V CA 2.328 64.737 62.300 0.180 0.000 1.027 446 V CB -0.576 31.270 31.823 0.038 0.000 0.646 446 V HN 0.437 8.627 8.190 -0.000 0.000 0.447 447 K N -0.991 119.460 120.400 0.085 0.000 2.057 447 K HA -0.232 3.647 4.320 -0.735 0.000 0.206 447 K C 2.271 178.923 176.600 0.087 0.000 1.050 447 K CA 1.892 58.214 56.287 0.060 0.000 0.935 447 K CB -0.338 32.173 32.500 0.019 0.000 0.715 447 K HN 0.535 8.785 8.250 -0.000 0.000 0.439 448 Y N 0.640 120.956 120.300 0.026 0.000 2.145 448 Y HA -0.183 3.925 4.550 -0.737 0.000 0.286 448 Y C 1.968 177.929 175.900 0.103 0.000 1.145 448 Y CA 1.812 59.953 58.100 0.069 0.000 1.148 448 Y CB -0.343 38.186 38.460 0.116 0.000 0.981 448 Y HN 0.151 8.431 8.280 -0.000 0.000 0.507 449 A N -0.882 122.075 122.820 0.228 0.000 1.929 449 A HA -0.113 3.766 4.320 -0.735 0.000 0.216 449 A C 2.182 179.820 177.584 0.089 0.000 1.176 449 A CA 1.981 54.118 52.037 0.167 0.000 0.628 449 A CB -1.216 17.957 19.000 0.289 0.000 0.816 449 A HN 0.503 8.653 8.150 -0.000 0.000 0.444 450 T N -0.030 114.580 114.554 0.092 0.000 2.737 450 T HA -0.123 3.786 4.350 -0.735 0.000 0.265 450 T C 1.096 175.801 174.700 0.010 0.000 1.038 450 T CA 1.321 63.464 62.100 0.072 0.000 1.144 450 T CB -0.428 68.482 68.868 0.070 0.000 0.866 450 T HN 0.631 8.871 8.240 -0.000 0.000 0.434 451 N N 1.247 119.922 118.700 -0.042 0.000 2.714 451 N HA -0.231 4.067 4.740 -0.735 0.000 0.252 451 N C -0.296 175.183 175.510 -0.051 0.000 1.014 451 N CA 0.736 53.735 53.050 -0.085 0.000 0.735 451 N CB -1.468 36.925 38.487 -0.157 0.000 0.924 451 N HN 0.591 8.971 8.380 -0.000 0.000 0.540 452 K N -2.563 117.820 120.400 -0.028 0.000 3.088 452 K HA -0.227 3.651 4.320 -0.735 0.000 0.273 452 K C 1.001 177.583 176.600 -0.029 0.000 1.111 452 K CA 0.995 57.266 56.287 -0.026 0.000 0.803 452 K CB -1.808 30.673 32.500 -0.031 0.000 1.226 452 K HN 0.968 9.218 8.250 -0.000 0.000 0.485 453 G N 0.663 109.453 108.800 -0.017 0.000 2.213 453 G HA2 -0.326 3.193 3.960 -0.735 0.000 0.226 453 G HA3 -0.326 3.193 3.960 -0.735 0.000 0.226 453 G C -0.102 174.782 174.900 -0.026 0.000 0.992 453 G CA 0.193 45.283 45.100 -0.017 0.000 0.632 453 G HN 0.490 8.780 8.290 -0.000 0.000 0.511 454 N N 1.355 120.028 118.700 -0.045 0.000 3.322 454 N HA 0.436 4.735 4.740 -0.735 0.000 0.290 454 N C 0.779 176.255 175.510 -0.057 0.000 1.297 454 N CA -0.584 52.420 53.050 -0.076 0.000 1.167 454 N CB -0.203 38.235 38.487 -0.082 0.000 1.434 454 N HN 0.325 8.705 8.380 -0.000 0.000 0.526 455 L N 1.793 123.013 121.223 -0.005 0.000 2.593 455 L HA -0.026 3.873 4.340 -0.735 0.000 0.287 455 L C 0.542 177.526 176.870 0.191 0.000 1.243 455 L CA 0.815 55.730 54.840 0.124 0.000 0.890 455 L CB 0.086 42.318 42.059 0.288 0.000 1.134 455 L HN 0.397 8.627 8.230 -0.000 0.000 0.502 456 R N 1.683 122.305 120.500 0.203 0.000 2.532 456 R HA 0.281 4.180 4.340 -0.735 0.000 0.297 456 R C -0.377 176.086 176.300 0.271 0.000 0.984 456 R CA -0.565 55.675 56.100 0.233 0.000 0.884 456 R CB 2.113 32.412 30.300 -0.002 0.000 1.182 456 R HN 0.765 9.035 8.270 -0.000 0.000 0.442 457 S N 1.676 117.538 115.700 0.271 0.000 2.562 457 S HA 0.605 4.634 4.470 -0.735 0.000 0.281 457 S C 0.022 174.663 174.600 0.068 0.000 1.333 457 S CA -0.346 57.902 58.200 0.080 0.000 1.052 457 S CB 1.388 64.578 63.200 -0.017 0.000 0.884 457 S HN 0.735 9.045 8.310 -0.000 0.000 0.506 458 A N 2.465 125.275 122.820 -0.017 0.000 2.608 458 A HA 0.780 4.659 4.320 -0.735 0.000 0.292 458 A C -1.205 176.358 177.584 -0.034 0.000 1.066 458 A CA -0.823 51.133 52.037 -0.135 0.000 0.676 458 A CB 1.094 19.957 19.000 -0.227 0.000 1.277 458 A HN 1.273 9.423 8.150 -0.000 0.000 0.413 459 I N 0.267 120.804 120.570 -0.056 0.000 2.722 459 I HA 0.676 4.405 4.170 -0.735 0.000 0.295 459 I C -1.154 175.035 176.117 0.120 0.000 1.161 459 I CA -0.142 61.255 61.300 0.163 0.000 1.032 459 I CB 2.443 40.501 38.000 0.096 0.000 1.244 459 I HN 0.604 8.814 8.210 -0.000 0.000 0.421 460 T N 7.738 122.404 114.554 0.188 0.000 2.809 460 T HA 0.564 4.473 4.350 -0.735 0.000 0.284 460 T C -0.432 174.062 174.700 -0.344 0.000 0.992 460 T CA -0.228 61.840 62.100 -0.053 0.000 0.957 460 T CB 0.865 69.724 68.868 -0.016 0.000 0.942 460 T HN 0.294 8.534 8.240 -0.000 0.000 0.439 461 I N 4.337 124.624 120.570 -0.471 0.000 2.328 461 I HA 0.397 4.126 4.170 -0.735 0.000 0.287 461 I C -0.402 175.374 176.117 -0.568 0.000 1.012 461 I CA -0.640 60.387 61.300 -0.456 0.000 1.195 461 I CB 0.561 38.268 38.000 -0.490 0.000 1.350 461 I HN 0.458 8.668 8.210 -0.000 0.000 0.464 462 F N 6.669 126.517 119.950 -0.170 0.000 2.368 462 F HA 0.415 4.507 4.527 -0.725 0.000 0.308 462 F C -1.826 173.826 175.800 -0.248 0.000 1.198 462 F CA -2.311 55.505 58.000 -0.307 0.000 1.130 462 F CB -0.253 38.585 39.000 -0.270 0.000 1.300 462 F HN 0.232 8.532 8.300 -0.000 0.000 0.537 463 P HA -0.036 4.384 4.420 -0.000 0.000 0.263 463 P C -0.931 176.329 177.300 -0.067 0.000 1.175 463 P CA 0.004 62.944 63.100 -0.267 0.000 0.761 463 P CB 0.181 31.537 31.700 -0.573 0.000 0.794 464 Q N 3.184 122.914 119.800 -0.118 0.000 2.492 464 Q HA 0.142 4.041 4.340 -0.735 0.000 0.238 464 Q C 0.197 176.068 176.000 -0.214 0.000 1.045 464 Q CA -0.559 54.965 55.803 -0.465 0.000 0.934 464 Q CB 0.731 28.923 28.738 -0.911 0.000 1.276 464 Q HN 0.338 8.608 8.270 -0.000 0.000 0.521 465 R N 0.057 120.417 120.500 -0.233 0.000 2.641 465 R HA 0.063 3.962 4.340 -0.735 0.000 0.269 465 R C 0.196 176.429 176.300 -0.111 0.000 1.074 465 R CA 0.877 56.919 56.100 -0.097 0.000 1.133 465 R CB 0.624 30.867 30.300 -0.095 0.000 1.029 465 R HN 0.975 9.245 8.270 -0.000 0.000 0.488 466 T N -1.261 113.264 114.554 -0.048 0.000 3.478 466 T HA 0.014 3.922 4.350 -0.735 0.000 0.223 466 T C 0.901 175.564 174.700 -0.061 0.000 0.958 466 T CA 0.258 62.314 62.100 -0.074 0.000 1.324 466 T CB -0.179 68.634 68.868 -0.091 0.000 1.262 466 T HN 0.739 8.979 8.240 -0.000 0.000 0.379 467 D N 0.814 121.191 120.400 -0.038 0.000 2.433 467 D HA 0.264 4.463 4.640 -0.735 0.000 0.211 467 D C 1.602 177.922 176.300 0.035 0.000 1.114 467 D CA 0.747 54.740 54.000 -0.011 0.000 0.837 467 D CB 0.049 40.837 40.800 -0.019 0.000 0.984 467 D HN 0.898 9.268 8.370 -0.000 0.000 0.505 468 G N 1.381 110.213 108.800 0.052 0.000 2.176 468 G HA2 -0.316 3.203 3.960 -0.735 0.000 0.253 468 G HA3 -0.316 3.203 3.960 -0.735 0.000 0.253 468 G C 0.932 175.885 174.900 0.090 0.000 0.979 468 G CA 0.406 45.538 45.100 0.054 0.000 0.641 468 G HN 0.437 8.727 8.290 -0.000 0.000 0.530 469 K N -0.438 120.070 120.400 0.179 0.000 2.374 469 K HA 0.266 4.145 4.320 -0.735 0.000 0.202 469 K C 0.322 176.978 176.600 0.093 0.000 1.040 469 K CA 0.081 56.464 56.287 0.160 0.000 1.085 469 K CB 0.438 33.042 32.500 0.175 0.000 0.873 469 K HN 0.472 8.722 8.250 -0.000 0.000 0.539 470 H N 0.118 119.193 119.070 0.007 0.000 2.676 470 H HA 0.202 4.318 4.556 -0.734 0.000 0.238 470 H C -1.250 174.095 175.328 0.028 0.000 1.276 470 H CA -0.962 55.085 56.048 -0.002 0.000 0.983 470 H CB 0.122 29.902 29.762 0.031 0.000 2.000 470 H HN -0.015 8.265 8.280 -0.000 0.000 0.584 471 D N 0.288 120.748 120.400 0.101 0.000 2.345 471 D HA 0.123 4.322 4.640 -0.735 0.000 0.247 471 D C -0.074 176.272 176.300 0.077 0.000 1.108 471 D CA 0.041 54.117 54.000 0.127 0.000 0.894 471 D CB 0.679 41.522 40.800 0.072 0.000 1.203 471 D HN 0.076 8.446 8.370 -0.000 0.000 0.430 472 F N 2.125 122.089 119.950 0.024 0.000 2.404 472 F HA 0.425 4.508 4.527 -0.741 0.000 0.345 472 F C 0.898 176.703 175.800 0.008 0.000 1.110 472 F CA -0.250 57.745 58.000 -0.008 0.000 1.130 472 F CB 0.816 39.813 39.000 -0.005 0.000 1.129 472 F HN -0.129 8.171 8.300 -0.000 0.000 0.500 473 R N 1.827 122.402 120.500 0.125 0.000 2.651 473 R HA 0.554 4.453 4.340 -0.735 0.000 0.278 473 R C -1.755 174.655 176.300 0.185 0.000 1.010 473 R CA -0.949 55.237 56.100 0.144 0.000 0.896 473 R CB 2.122 32.502 30.300 0.133 0.000 1.211 473 R HN 0.360 8.630 8.270 -0.000 0.000 0.456 474 V N 2.888 122.897 119.914 0.159 0.000 2.347 474 V HA 0.181 3.860 4.120 -0.735 0.000 0.280 474 V C 0.259 176.494 176.094 0.235 0.000 1.021 474 V CA -0.477 61.917 62.300 0.157 0.000 0.847 474 V CB 1.335 33.193 31.823 0.059 0.000 0.990 474 V HN 0.741 8.931 8.190 -0.000 0.000 0.444 475 W N 2.324 123.625 121.300 0.002 0.000 2.467 475 W HA 0.016 4.250 4.660 -0.709 0.000 0.275 475 W C 1.094 177.495 176.519 -0.196 0.000 1.239 475 W CA -0.259 57.135 57.345 0.083 0.000 1.266 475 W CB -0.667 29.035 29.460 0.404 0.000 1.112 475 W HN 0.528 8.708 8.180 -0.000 0.000 0.576 476 N N -0.014 118.583 118.700 -0.173 0.000 2.381 476 N HA -0.003 4.295 4.740 -0.735 0.000 0.241 476 N C 1.324 176.609 175.510 -0.374 0.000 1.279 476 N CA 0.979 53.638 53.050 -0.652 0.000 0.896 476 N CB 0.529 38.816 38.487 -0.332 0.000 1.118 476 N HN -0.094 8.286 8.380 -0.000 0.000 0.438 477 S N -0.247 115.234 115.700 -0.365 0.000 2.478 477 S HA 0.064 4.093 4.470 -0.735 0.000 0.222 477 S C 0.238 174.730 174.600 -0.180 0.000 1.008 477 S CA 0.335 58.417 58.200 -0.196 0.000 0.928 477 S CB 0.160 63.298 63.200 -0.103 0.000 0.781 477 S HN 0.622 8.932 8.310 -0.000 0.000 0.518 478 Q N -0.379 119.302 119.800 -0.199 0.000 2.345 478 Q HA 0.473 4.372 4.340 -0.735 0.000 0.275 478 Q C 0.099 175.963 176.000 -0.226 0.000 1.063 478 Q CA -0.478 55.206 55.803 -0.198 0.000 0.819 478 Q CB 2.103 30.771 28.738 -0.115 0.000 1.356 478 Q HN 0.111 8.380 8.270 -0.000 0.000 0.418 479 L N 1.030 122.115 121.223 -0.229 0.000 2.043 479 L HA -0.101 3.798 4.340 -0.735 0.000 0.212 479 L C 0.576 177.308 176.870 -0.231 0.000 1.075 479 L CA 1.556 56.275 54.840 -0.202 0.000 0.752 479 L CB -0.102 41.831 42.059 -0.210 0.000 0.891 479 L HN 0.518 8.748 8.230 -0.000 0.000 0.432 480 I N -0.412 119.949 120.570 -0.349 0.000 2.410 480 I HA 0.347 4.076 4.170 -0.735 0.000 0.286 480 I C -0.301 175.259 176.117 -0.927 0.000 1.009 480 I CA -0.305 60.648 61.300 -0.579 0.000 1.111 480 I CB 1.566 39.164 38.000 -0.669 0.000 1.262 480 I HN 0.060 8.270 8.210 -0.000 0.000 0.443 481 R N 4.411 124.495 120.500 -0.693 0.000 2.680 481 R HA 0.462 4.361 4.340 -0.735 0.000 0.269 481 R C -1.581 174.513 176.300 -0.343 0.000 1.026 481 R CA -0.995 54.763 56.100 -0.571 0.000 0.889 481 R CB 2.541 32.733 30.300 -0.180 0.000 1.241 481 R HN 0.411 8.681 8.270 -0.000 0.000 0.463 482 Y N 0.570 120.866 120.300 -0.008 0.000 2.304 482 Y HA 0.352 4.460 4.550 -0.736 0.000 0.327 482 Y C 1.044 176.997 175.900 0.088 0.000 1.209 482 Y CA -0.678 57.481 58.100 0.099 0.000 1.299 482 Y CB 1.099 39.700 38.460 0.235 0.000 1.249 482 Y HN 0.605 8.885 8.280 -0.000 0.000 0.519 483 A N 1.735 124.698 122.820 0.238 0.000 2.406 483 A HA 0.566 4.445 4.320 -0.735 0.000 0.243 483 A C 0.423 177.866 177.584 -0.235 0.000 1.082 483 A CA 0.266 52.273 52.037 -0.051 0.000 0.786 483 A CB -0.160 18.794 19.000 -0.076 0.000 1.029 483 A HN 0.898 9.048 8.150 -0.000 0.000 0.495 484 G N 0.148 108.688 108.800 -0.434 0.000 2.737 484 G HA2 0.577 4.096 3.960 -0.735 0.000 0.290 484 G HA3 0.577 4.096 3.960 -0.735 0.000 0.290 484 G C -1.343 173.354 174.900 -0.338 0.000 1.482 484 G CA -0.302 44.620 45.100 -0.298 0.000 1.017 484 G HN 0.560 8.850 8.290 -0.000 0.000 0.529 485 Y N 0.479 120.803 120.300 0.039 0.000 2.425 485 Y HA 0.516 4.624 4.550 -0.737 0.000 0.344 485 Y C 0.417 176.315 175.900 -0.003 0.000 0.969 485 Y CA -1.569 56.544 58.100 0.022 0.000 1.052 485 Y CB 1.953 40.423 38.460 0.017 0.000 1.215 485 Y HN 0.269 8.549 8.280 -0.000 0.000 0.451 486 K N 3.780 124.267 120.400 0.146 0.000 2.349 486 K HA 0.150 4.029 4.320 -0.735 0.000 0.289 486 K C -0.115 176.519 176.600 0.057 0.000 1.064 486 K CA -0.362 55.971 56.287 0.075 0.000 0.947 486 K CB 0.538 33.065 32.500 0.045 0.000 1.007 486 K HN 0.639 8.889 8.250 -0.000 0.000 0.478 487 Q N 3.280 123.102 119.800 0.037 0.000 2.382 487 Q HA 0.075 3.974 4.340 -0.735 0.000 0.229 487 Q C -1.382 174.618 176.000 -0.000 0.000 1.006 487 Q CA -1.499 54.309 55.803 0.008 0.000 0.916 487 Q CB 0.526 29.264 28.738 0.001 0.000 1.235 487 Q HN 0.438 8.708 8.270 -0.000 0.000 0.512 488 P HA -0.152 4.268 4.420 -0.000 0.000 0.220 488 P C 0.676 177.970 177.300 -0.009 0.000 1.152 488 P CA 1.042 64.135 63.100 -0.012 0.000 0.812 488 P CB 0.250 31.939 31.700 -0.019 0.000 0.792 489 D N 0.088 120.483 120.400 -0.010 0.000 2.354 489 D HA -0.103 4.096 4.640 -0.735 0.000 0.216 489 D C 1.655 177.953 176.300 -0.003 0.000 0.970 489 D CA 1.617 55.612 54.000 -0.008 0.000 0.905 489 D CB -0.754 40.040 40.800 -0.009 0.000 0.903 489 D HN 0.289 8.659 8.370 -0.000 0.000 0.508 490 G N -0.598 108.202 108.800 -0.000 0.000 2.284 490 G HA2 -0.326 3.193 3.960 -0.735 0.000 0.247 490 G HA3 -0.326 3.193 3.960 -0.735 0.000 0.247 490 G C 0.653 175.557 174.900 0.006 0.000 1.012 490 G CA 0.931 46.033 45.100 0.003 0.000 0.618 490 G HN 0.711 9.001 8.290 -0.000 0.000 0.521 491 S N -0.530 115.172 115.700 0.004 0.000 2.625 491 S HA 0.648 4.677 4.470 -0.735 0.000 0.258 491 S C 0.104 174.709 174.600 0.008 0.000 1.256 491 S CA 0.816 59.019 58.200 0.004 0.000 0.983 491 S CB 1.410 64.610 63.200 -0.000 0.000 1.032 491 S HN 0.748 9.058 8.310 -0.000 0.000 0.572 492 T N 1.109 115.663 114.554 0.001 0.000 2.879 492 T HA 0.509 4.418 4.350 -0.735 0.000 0.290 492 T C -1.143 173.556 174.700 -0.002 0.000 0.993 492 T CA -0.496 61.609 62.100 0.008 0.000 0.975 492 T CB 1.150 70.009 68.868 -0.014 0.000 0.981 492 T HN 0.566 8.806 8.240 -0.000 0.000 0.439 493 L N 3.875 125.136 121.223 0.063 0.000 2.289 493 L HA 0.768 4.667 4.340 -0.735 0.000 0.285 493 L C 0.737 177.670 176.870 0.105 0.000 1.049 493 L CA 1.236 56.123 54.840 0.079 0.000 0.804 493 L CB 0.062 42.192 42.059 0.118 0.000 1.195 493 L HN 0.971 9.201 8.230 -0.000 0.000 0.428 494 G N 3.931 112.701 108.800 -0.051 0.000 2.499 494 G HA2 -0.229 3.290 3.960 -0.735 0.000 0.232 494 G HA3 -0.229 3.290 3.960 -0.735 0.000 0.232 494 G C -0.700 173.966 174.900 -0.390 0.000 1.251 494 G CA 0.007 45.040 45.100 -0.112 0.000 0.917 494 G HN 0.814 9.104 8.290 -0.000 0.000 0.580 495 D N 1.647 121.965 120.400 -0.137 0.000 2.347 495 D HA 0.517 4.716 4.640 -0.735 0.000 0.235 495 D C -1.022 175.255 176.300 -0.038 0.000 1.149 495 D CA -1.773 52.173 54.000 -0.091 0.000 0.850 495 D CB 1.418 42.422 40.800 0.339 0.000 1.061 495 D HN -0.019 8.351 8.370 -0.000 0.000 0.487 496 P HA -0.111 4.309 4.420 -0.000 0.000 0.218 496 P C 0.973 178.299 177.300 0.043 0.000 1.148 496 P CA 0.961 64.052 63.100 -0.014 0.000 0.822 496 P CB 0.282 31.970 31.700 -0.020 0.000 0.784 497 A N -0.297 122.576 122.820 0.089 0.000 2.019 497 A HA -0.152 3.727 4.320 -0.735 0.000 0.219 497 A C 1.580 179.238 177.584 0.125 0.000 1.164 497 A CA 1.476 53.585 52.037 0.120 0.000 0.644 497 A CB -0.920 18.180 19.000 0.167 0.000 0.805 497 A HN 0.185 8.335 8.150 -0.000 0.000 0.449 498 N N -0.299 118.471 118.700 0.117 0.000 2.321 498 N HA 0.169 4.468 4.740 -0.735 0.000 0.242 498 N C 0.993 176.543 175.510 0.066 0.000 1.141 498 N CA 0.155 53.282 53.050 0.128 0.000 0.864 498 N CB 0.758 39.337 38.487 0.153 0.000 1.100 498 N HN 0.213 8.593 8.380 -0.000 0.000 0.510 499 V N 1.052 120.983 119.914 0.030 0.000 2.261 499 V HA -0.273 3.406 4.120 -0.735 0.000 0.246 499 V C 2.681 178.756 176.094 -0.032 0.000 1.047 499 V CA 1.839 64.132 62.300 -0.012 0.000 1.015 499 V CB -0.420 31.406 31.823 0.004 0.000 0.642 499 V HN 0.364 8.554 8.190 -0.000 0.000 0.446 500 Q N -0.727 119.055 119.800 -0.030 0.000 2.061 500 Q HA -0.278 3.621 4.340 -0.735 0.000 0.204 500 Q C 2.172 178.016 176.000 -0.259 0.000 0.984 500 Q CA 2.480 58.205 55.803 -0.130 0.000 0.846 500 Q CB -0.301 28.373 28.738 -0.107 0.000 0.902 500 Q HN 0.597 8.867 8.270 -0.000 0.000 0.421 501 F N 0.896 120.645 119.950 -0.335 0.000 2.146 501 F HA -0.134 3.947 4.527 -0.744 0.000 0.298 501 F C 2.111 177.801 175.800 -0.183 0.000 1.096 501 F CA 1.903 59.688 58.000 -0.359 0.000 1.275 501 F CB -0.604 38.320 39.000 -0.126 0.000 1.008 501 F HN 0.021 8.321 8.300 -0.000 0.000 0.480 502 T N 0.303 114.751 114.554 -0.176 0.000 2.803 502 T HA -0.195 3.714 4.350 -0.735 0.000 0.269 502 T C 1.662 176.280 174.700 -0.136 0.000 1.052 502 T CA 1.837 63.819 62.100 -0.197 0.000 1.136 502 T CB -0.306 68.483 68.868 -0.132 0.000 0.864 502 T HN 0.447 8.687 8.240 -0.000 0.000 0.467 503 E N 0.383 120.499 120.200 -0.139 0.000 2.216 503 E HA 0.088 3.997 4.350 -0.735 0.000 0.192 503 E C 2.030 178.548 176.600 -0.138 0.000 0.988 503 E CA 0.505 56.854 56.400 -0.085 0.000 0.834 503 E CB -0.087 29.570 29.700 -0.071 0.000 0.772 503 E HN 0.491 8.851 8.360 -0.000 0.000 0.479 504 I N 0.682 121.100 120.570 -0.253 0.000 2.546 504 I HA -0.221 3.508 4.170 -0.735 0.000 0.255 504 I C 2.068 178.062 176.117 -0.205 0.000 1.163 504 I CA 0.377 61.552 61.300 -0.208 0.000 1.457 504 I CB -0.166 37.708 38.000 -0.209 0.000 1.092 504 I HN 0.237 8.447 8.210 -0.000 0.000 0.434 505 C N 0.635 119.740 119.300 -0.325 0.000 2.631 505 C HA -0.009 4.010 4.460 -0.735 0.000 0.283 505 C C 2.664 177.677 174.990 0.039 0.000 1.295 505 C CA 0.030 58.906 59.018 -0.237 0.000 1.697 505 C CB -0.596 26.876 27.740 -0.447 0.000 2.128 505 C HN 0.377 8.607 8.230 -0.000 0.000 0.503 506 I N 1.304 121.983 120.570 0.182 0.000 2.181 506 I HA -0.330 3.399 4.170 -0.735 0.000 0.247 506 I C 2.895 179.048 176.117 0.060 0.000 1.081 506 I CA 1.759 63.183 61.300 0.206 0.000 1.340 506 I CB -0.605 37.500 38.000 0.175 0.000 1.036 506 I HN 0.536 8.746 8.210 -0.000 0.000 0.417 507 Q N 0.742 120.543 119.800 0.001 0.000 2.084 507 Q HA -0.246 3.653 4.340 -0.735 0.000 0.202 507 Q C 1.889 177.861 176.000 -0.047 0.000 0.978 507 Q CA 1.498 57.275 55.803 -0.043 0.000 0.844 507 Q CB -0.168 28.523 28.738 -0.078 0.000 0.898 507 Q HN 0.517 8.787 8.270 -0.000 0.000 0.426 508 Q N -0.847 118.930 119.800 -0.037 0.000 2.541 508 Q HA 0.004 3.903 4.340 -0.735 0.000 0.215 508 Q C 0.901 176.893 176.000 -0.015 0.000 0.977 508 Q CA 1.011 56.792 55.803 -0.037 0.000 0.934 508 Q CB 0.218 28.929 28.738 -0.046 0.000 0.988 508 Q HN 0.669 8.939 8.270 -0.000 0.000 0.521 509 G N -0.339 108.469 108.800 0.013 0.000 2.211 509 G HA2 -0.218 3.301 3.960 -0.735 0.000 0.201 509 G HA3 -0.218 3.301 3.960 -0.735 0.000 0.201 509 G C -0.402 174.537 174.900 0.065 0.000 0.997 509 G CA -0.225 44.882 45.100 0.012 0.000 0.652 509 G HN 0.336 8.626 8.290 -0.000 0.000 0.500 510 W N 3.384 124.636 121.300 -0.080 0.000 2.417 510 W HA 0.485 4.701 4.660 -0.739 0.000 0.332 510 W C 0.757 177.260 176.519 -0.027 0.000 1.413 510 W CA -0.187 57.123 57.345 -0.058 0.000 1.299 510 W CB 0.469 29.891 29.460 -0.063 0.000 1.304 510 W HN 0.181 8.361 8.180 -0.000 0.000 0.565 511 K N 6.346 126.465 120.400 -0.469 0.000 2.150 511 K HA 0.476 4.355 4.320 -0.735 0.000 0.261 511 K C -0.185 175.864 176.600 -0.919 0.000 1.127 511 K CA -0.323 55.659 56.287 -0.508 0.000 0.989 511 K CB -0.295 32.046 32.500 -0.265 0.000 1.475 511 K HN 0.483 8.733 8.250 -0.000 0.000 0.391 512 A N 4.922 127.065 122.820 -1.128 0.000 2.454 512 A HA 0.257 4.136 4.320 -0.735 0.000 0.260 512 A C -1.794 175.468 177.584 -0.536 0.000 1.106 512 A CA -1.304 50.001 52.037 -1.220 0.000 0.780 512 A CB 0.226 18.707 19.000 -0.865 0.000 1.044 512 A HN 0.649 8.799 8.150 -0.000 0.000 0.498 513 P HA -0.037 4.383 4.420 -0.000 0.000 0.239 513 P C 0.380 177.548 177.300 -0.220 0.000 1.184 513 P CA 0.054 63.046 63.100 -0.180 0.000 0.760 513 P CB -0.129 31.546 31.700 -0.042 0.000 0.884 514 R N -0.436 119.832 120.500 -0.385 0.000 3.109 514 R HA -0.167 3.732 4.340 -0.735 0.000 0.241 514 R C 0.370 176.418 176.300 -0.419 0.000 0.882 514 R CA 0.283 55.865 56.100 -0.863 0.000 0.604 514 R CB -1.517 28.329 30.300 -0.757 0.000 1.040 514 R HN 0.325 8.595 8.270 -0.000 0.000 0.480 515 G N -0.468 108.298 108.800 -0.056 0.000 2.938 515 G HA2 0.326 3.845 3.960 -0.735 0.000 0.258 515 G HA3 0.326 3.845 3.960 -0.735 0.000 0.258 515 G C 0.030 175.033 174.900 0.172 0.000 1.356 515 G CA -0.298 44.838 45.100 0.060 0.000 1.052 515 G HN 0.289 8.579 8.290 -0.000 0.000 0.550 516 R N -1.576 118.970 120.500 0.077 0.000 2.075 516 R HA 0.177 4.076 4.340 -0.735 0.000 0.220 516 R C 0.131 176.244 176.300 -0.311 0.000 1.118 516 R CA 0.615 56.654 56.100 -0.102 0.000 0.986 516 R CB -0.053 30.125 30.300 -0.204 0.000 0.884 516 R HN 0.351 8.621 8.270 -0.000 0.000 0.439 517 F N 1.777 121.718 119.950 -0.015 0.000 2.438 517 F HA 0.286 4.371 4.527 -0.737 0.000 0.315 517 F C -1.055 174.665 175.800 -0.134 0.000 1.258 517 F CA -1.013 56.704 58.000 -0.471 0.000 1.180 517 F CB 0.915 39.419 39.000 -0.826 0.000 1.412 517 F HN -0.219 8.081 8.300 -0.000 0.000 0.544 518 D N 1.533 122.125 120.400 0.320 0.000 2.317 518 D HA 0.209 4.408 4.640 -0.735 0.000 0.234 518 D C 0.086 176.699 176.300 0.523 0.000 1.112 518 D CA -0.135 54.130 54.000 0.442 0.000 0.840 518 D CB 2.123 43.238 40.800 0.524 0.000 1.078 518 D HN -0.030 8.340 8.370 -0.000 0.000 0.486 519 V N 3.687 123.868 119.914 0.445 0.000 2.493 519 V HA -0.037 3.642 4.120 -0.735 0.000 0.292 519 V C 1.095 177.259 176.094 0.118 0.000 1.016 519 V CA -0.133 62.311 62.300 0.240 0.000 1.097 519 V CB -0.127 31.782 31.823 0.143 0.000 0.947 519 V HN 0.347 8.537 8.190 -0.000 0.000 0.479 520 L N 7.959 129.146 121.223 -0.060 0.000 2.476 520 L HA 0.329 4.227 4.340 -0.735 0.000 0.264 520 L C -1.777 174.904 176.870 -0.314 0.000 1.224 520 L CA -1.296 53.348 54.840 -0.328 0.000 0.821 520 L CB 0.445 42.408 42.059 -0.159 0.000 1.101 520 L HN 0.475 8.705 8.230 -0.000 0.000 0.488 521 P HA 0.301 4.721 4.420 -0.000 0.000 0.287 521 P C -1.083 176.172 177.300 -0.074 0.000 1.270 521 P CA -0.643 62.272 63.100 -0.308 0.000 0.844 521 P CB 1.291 32.657 31.700 -0.556 0.000 1.068 522 L N 1.943 123.202 121.223 0.060 0.000 2.397 522 L HA 0.304 4.203 4.340 -0.735 0.000 0.271 522 L C 0.801 177.766 176.870 0.158 0.000 1.148 522 L CA -0.366 54.563 54.840 0.148 0.000 0.825 522 L CB 0.207 42.388 42.059 0.203 0.000 1.117 522 L HN 0.265 8.495 8.230 -0.000 0.000 0.456 523 L N 5.185 126.530 121.223 0.203 0.000 2.384 523 L HA 0.447 4.346 4.340 -0.735 0.000 0.261 523 L C -0.836 176.033 176.870 -0.002 0.000 1.024 523 L CA -0.380 54.507 54.840 0.078 0.000 0.899 523 L CB 0.765 42.961 42.059 0.229 0.000 1.243 523 L HN 0.525 8.755 8.230 -0.000 0.000 0.449 524 L N 3.748 124.964 121.223 -0.012 0.000 2.289 524 L HA 0.458 4.357 4.340 -0.735 0.000 0.285 524 L C -0.095 176.656 176.870 -0.198 0.000 1.049 524 L CA -0.306 54.500 54.840 -0.056 0.000 0.804 524 L CB 1.663 43.720 42.059 -0.003 0.000 1.195 524 L HN 0.536 8.766 8.230 -0.000 0.000 0.428 525 Q N 2.944 122.622 119.800 -0.203 0.000 2.357 525 Q HA 0.655 4.553 4.340 -0.735 0.000 0.266 525 Q C -1.287 174.508 176.000 -0.342 0.000 1.021 525 Q CA -0.575 55.061 55.803 -0.278 0.000 0.784 525 Q CB 1.856 30.498 28.738 -0.160 0.000 1.243 525 Q HN 0.788 9.058 8.270 -0.000 0.000 0.465 526 A N 4.124 126.671 122.820 -0.456 0.000 2.330 526 A HA 0.365 4.244 4.320 -0.735 0.000 0.327 526 A C 0.233 177.263 177.584 -0.923 0.000 1.155 526 A CA -0.356 51.136 52.037 -0.909 0.000 0.803 526 A CB 0.662 19.372 19.000 -0.483 0.000 1.208 526 A HN 1.132 9.282 8.150 -0.000 0.000 0.477 527 N N 0.833 118.608 118.700 -1.542 0.000 2.693 527 N HA -0.264 4.035 4.740 -0.735 0.000 0.249 527 N C 0.985 176.294 175.510 -0.335 0.000 1.119 527 N CA 1.313 53.998 53.050 -0.609 0.000 0.717 527 N CB -0.618 37.725 38.487 -0.240 0.000 1.071 527 N HN 2.195 10.575 8.380 -0.000 0.000 0.555 528 G N -1.599 107.002 108.800 -0.332 0.000 2.176 528 G HA2 -0.296 3.223 3.960 -0.735 0.000 0.253 528 G HA3 -0.296 3.223 3.960 -0.735 0.000 0.253 528 G C 0.156 174.944 174.900 -0.186 0.000 0.979 528 G CA 0.431 45.401 45.100 -0.215 0.000 0.641 528 G HN 0.542 8.832 8.290 -0.000 0.000 0.530 529 N N 0.926 119.484 118.700 -0.236 0.000 2.327 529 N HA 0.354 4.653 4.740 -0.735 0.000 0.257 529 N C -0.211 175.169 175.510 -0.217 0.000 1.281 529 N CA -0.181 52.768 53.050 -0.168 0.000 0.942 529 N CB 0.254 38.643 38.487 -0.164 0.000 1.199 529 N HN 0.174 8.554 8.380 -0.000 0.000 0.532 530 D N 0.932 121.230 120.400 -0.169 0.000 2.372 530 D HA 0.207 4.405 4.640 -0.735 0.000 0.243 530 D C -1.869 174.154 176.300 -0.462 0.000 1.121 530 D CA -0.716 53.081 54.000 -0.339 0.000 0.898 530 D CB 0.144 40.894 40.800 -0.084 0.000 1.202 530 D HN 0.265 8.635 8.370 -0.000 0.000 0.428 531 P HA 0.144 4.564 4.420 -0.000 0.000 0.274 531 P C -0.698 176.361 177.300 -0.401 0.000 1.231 531 P CA -0.255 62.429 63.100 -0.692 0.000 0.790 531 P CB 1.175 32.065 31.700 -1.350 0.000 0.951 532 E N 0.534 120.565 120.200 -0.283 0.000 2.299 532 E HA 0.504 4.413 4.350 -0.735 0.000 0.265 532 E C -0.495 175.908 176.600 -0.328 0.000 0.911 532 E CA -1.003 55.225 56.400 -0.286 0.000 0.789 532 E CB 1.684 31.210 29.700 -0.289 0.000 1.246 532 E HN 0.348 8.708 8.360 -0.000 0.000 0.427 533 L N 1.504 122.433 121.223 -0.490 0.000 2.375 533 L HA 0.591 4.490 4.340 -0.735 0.000 0.268 533 L C -0.867 175.479 176.870 -0.872 0.000 1.058 533 L CA -0.488 54.095 54.840 -0.429 0.000 0.803 533 L CB 0.487 42.378 42.059 -0.281 0.000 1.212 533 L HN 0.488 8.718 8.230 -0.000 0.000 0.451 534 F N -0.325 119.462 119.950 -0.271 0.000 2.672 534 F HA 0.231 3.462 4.527 -2.160 0.000 0.311 534 F C -0.373 175.293 175.800 -0.224 0.000 1.113 534 F CA -0.617 57.122 58.000 -0.435 0.000 0.996 534 F CB 1.716 40.203 39.000 -0.856 0.000 1.286 534 F HN 0.320 8.620 8.300 -0.000 0.000 0.441 535 Q N 3.907 123.718 119.800 0.017 0.000 2.331 535 Q HA 0.512 4.411 4.340 -0.735 0.000 0.257 535 Q C -0.641 175.517 176.000 0.263 0.000 0.957 535 Q CA -0.509 55.370 55.803 0.128 0.000 0.923 535 Q CB 0.944 29.764 28.738 0.137 0.000 1.212 535 Q HN 0.705 8.975 8.270 -0.000 0.000 0.443 536 I N 7.052 127.789 120.570 0.278 0.000 2.668 536 I HA -0.002 3.727 4.170 -0.735 0.000 0.285 536 I C -1.912 174.334 176.117 0.215 0.000 1.168 536 I CA -1.560 59.916 61.300 0.293 0.000 1.424 536 I CB 0.371 38.453 38.000 0.136 0.000 1.377 536 I HN 0.475 8.685 8.210 -0.000 0.000 0.560 537 P HA -0.039 4.381 4.420 -0.000 0.000 0.256 537 P C -1.962 175.403 177.300 0.108 0.000 1.173 537 P CA -0.609 62.584 63.100 0.154 0.000 0.768 537 P CB 0.099 31.871 31.700 0.120 0.000 0.758 538 P HA -0.246 4.174 4.420 -0.000 0.000 0.217 538 P C 1.375 178.718 177.300 0.072 0.000 1.151 538 P CA 1.436 64.592 63.100 0.093 0.000 0.849 538 P CB -0.232 31.525 31.700 0.096 0.000 0.787 539 E N -0.217 120.022 120.200 0.064 0.000 2.409 539 E HA -0.128 3.781 4.350 -0.735 0.000 0.198 539 E C 1.567 178.191 176.600 0.040 0.000 1.024 539 E CA 0.957 57.385 56.400 0.047 0.000 0.861 539 E CB -0.941 28.785 29.700 0.042 0.000 0.788 539 E HN 0.339 8.699 8.360 -0.000 0.000 0.521 540 L N 0.846 122.095 121.223 0.044 0.000 2.554 540 L HA 0.144 4.043 4.340 -0.735 0.000 0.225 540 L C 0.520 177.412 176.870 0.037 0.000 1.104 540 L CA -0.097 54.763 54.840 0.032 0.000 0.866 540 L CB 0.752 42.822 42.059 0.019 0.000 1.047 540 L HN -0.114 8.116 8.230 -0.000 0.000 0.468 541 V N 2.318 122.259 119.914 0.045 0.000 2.339 541 V HA 0.117 3.796 4.120 -0.735 0.000 0.261 541 V C 0.064 176.194 176.094 0.060 0.000 1.058 541 V CA -0.481 61.848 62.300 0.047 0.000 0.897 541 V CB 1.147 32.997 31.823 0.046 0.000 1.052 541 V HN 0.052 8.242 8.190 -0.000 0.000 0.480 542 L N 6.051 127.312 121.223 0.064 0.000 2.360 542 L HA 0.449 4.347 4.340 -0.735 0.000 0.276 542 L C 0.111 177.020 176.870 0.064 0.000 1.121 542 L CA 0.766 55.634 54.840 0.047 0.000 0.845 542 L CB 0.367 42.448 42.059 0.036 0.000 1.143 542 L HN 0.670 8.900 8.230 -0.000 0.000 0.452 543 E N 3.297 123.513 120.200 0.028 0.000 2.312 543 E HA 0.608 4.517 4.350 -0.735 0.000 0.267 543 E C -1.512 175.041 176.600 -0.077 0.000 0.894 543 E CA -0.994 55.427 56.400 0.035 0.000 0.773 543 E CB 2.579 32.336 29.700 0.095 0.000 1.241 543 E HN 0.386 8.746 8.360 -0.000 0.000 0.432 544 V N 3.279 123.119 119.914 -0.124 0.000 2.487 544 V HA 0.356 4.035 4.120 -0.735 0.000 0.298 544 V C -2.326 173.728 176.094 -0.065 0.000 1.028 544 V CA -1.850 60.323 62.300 -0.212 0.000 0.860 544 V CB 1.772 33.236 31.823 -0.600 0.000 0.991 544 V HN 0.548 8.738 8.190 -0.000 0.000 0.427 545 P HA 0.309 4.729 4.420 -0.000 0.000 0.281 545 P C -0.925 176.408 177.300 0.055 0.000 1.252 545 P CA -0.235 62.862 63.100 -0.005 0.000 0.778 545 P CB 1.138 32.834 31.700 -0.007 0.000 0.895 546 I N 5.144 125.788 120.570 0.123 0.000 2.312 546 I HA 0.288 4.017 4.170 -0.735 0.000 0.291 546 I C 1.230 177.522 176.117 0.291 0.000 1.031 546 I CA -0.217 61.217 61.300 0.223 0.000 1.293 546 I CB -0.015 38.194 38.000 0.348 0.000 1.403 546 I HN 0.435 8.645 8.210 -0.000 0.000 0.484 547 R N 5.250 125.872 120.500 0.203 0.000 2.867 547 R HA 0.518 4.417 4.340 -0.735 0.000 0.268 547 R C -1.098 175.178 176.300 -0.040 0.000 1.014 547 R CA -0.708 55.515 56.100 0.205 0.000 0.946 547 R CB 2.059 32.464 30.300 0.176 0.000 1.208 547 R HN 0.518 8.788 8.270 -0.000 0.000 0.477 548 H N 1.142 120.033 119.070 -0.299 0.000 2.472 548 H HA 0.339 4.454 4.556 -0.735 0.000 0.338 548 H C -1.876 173.108 175.328 -0.572 0.000 1.133 548 H CA -2.034 53.643 56.048 -0.619 0.000 1.216 548 H CB 2.271 31.490 29.762 -0.905 0.000 1.497 548 H HN 0.292 8.572 8.280 -0.000 0.000 0.500 549 P HA -0.000 4.420 4.420 -0.000 0.000 0.234 549 P C 0.704 177.802 177.300 -0.337 0.000 1.167 549 P CA 1.118 63.646 63.100 -0.953 0.000 0.763 549 P CB 0.494 31.474 31.700 -1.200 0.000 0.835 550 K N -1.994 118.373 120.400 -0.054 0.000 2.631 550 K HA 0.167 4.046 4.320 -0.735 0.000 0.200 550 K C -0.114 176.539 176.600 0.089 0.000 1.481 550 K CA -0.005 56.251 56.287 -0.052 0.000 1.087 550 K CB 0.559 33.002 32.500 -0.096 0.000 1.502 550 K HN -0.030 8.220 8.250 -0.000 0.000 0.560 551 F N 2.985 122.678 119.950 -0.428 0.000 2.334 551 F HA 0.190 4.275 4.527 -0.735 0.000 0.365 551 F C 0.390 175.842 175.800 -0.581 0.000 1.124 551 F CA -1.062 56.530 58.000 -0.681 0.000 1.166 551 F CB 0.944 39.163 39.000 -1.301 0.000 1.355 551 F HN 0.006 8.306 8.300 -0.000 0.000 0.532 552 D N 2.935 123.280 120.400 -0.093 0.000 2.310 552 D HA -0.155 4.044 4.640 -0.735 0.000 0.212 552 D C 1.899 178.226 176.300 0.045 0.000 0.965 552 D CA 0.868 54.868 54.000 0.001 0.000 0.879 552 D CB 0.025 40.868 40.800 0.073 0.000 0.921 552 D HN 0.721 9.091 8.370 -0.000 0.000 0.510 553 W N -0.165 121.245 121.300 0.183 0.000 2.800 553 W HA 0.032 4.251 4.660 -0.736 0.000 0.249 553 W C 1.541 178.147 176.519 0.145 0.000 1.294 553 W CA -0.468 56.949 57.345 0.121 0.000 1.402 553 W CB -1.189 28.305 29.460 0.057 0.000 1.126 553 W HN -0.184 7.996 8.180 -0.000 0.000 0.652 554 F N 3.844 123.513 119.950 -0.469 0.000 2.069 554 F HA -0.274 3.811 4.527 -0.736 0.000 0.298 554 F C 2.783 178.595 175.800 0.020 0.000 1.113 554 F CA 3.465 61.275 58.000 -0.317 0.000 1.214 554 F CB -0.279 38.460 39.000 -0.434 0.000 0.978 554 F HN -0.164 8.136 8.300 -0.000 0.000 0.474 555 K N -0.441 120.097 120.400 0.230 0.000 2.160 555 K HA -0.239 3.640 4.320 -0.735 0.000 0.206 555 K C 1.486 178.156 176.600 0.117 0.000 1.047 555 K CA 1.986 58.381 56.287 0.180 0.000 0.930 555 K CB -0.780 31.805 32.500 0.141 0.000 0.720 555 K HN 0.229 8.479 8.250 -0.000 0.000 0.450 556 D N 1.386 121.866 120.400 0.134 0.000 2.263 556 D HA -0.098 4.101 4.640 -0.735 0.000 0.208 556 D C 1.921 178.273 176.300 0.085 0.000 0.971 556 D CA 0.823 54.896 54.000 0.122 0.000 0.867 556 D CB -0.111 40.790 40.800 0.167 0.000 0.929 556 D HN 0.283 8.653 8.370 -0.000 0.000 0.492 557 L N 0.048 121.293 121.223 0.037 0.000 2.261 557 L HA -0.093 3.806 4.340 -0.735 0.000 0.216 557 L C 1.534 178.419 176.870 0.024 0.000 1.114 557 L CA 0.875 55.697 54.840 -0.030 0.000 0.777 557 L CB -0.556 41.345 42.059 -0.264 0.000 0.910 557 L HN 0.126 8.356 8.230 -0.000 0.000 0.440 558 G N 0.537 109.366 108.800 0.048 0.000 2.225 558 G HA2 -0.275 3.244 3.960 -0.735 0.000 0.264 558 G HA3 -0.275 3.244 3.960 -0.735 0.000 0.264 558 G C -0.063 174.890 174.900 0.089 0.000 1.060 558 G CA -0.107 45.045 45.100 0.086 0.000 0.833 558 G HN 0.242 8.532 8.290 -0.000 0.000 0.498 559 L N -0.348 120.875 121.223 0.001 0.000 2.322 559 L HA 0.800 4.699 4.340 -0.735 0.000 0.279 559 L C 0.524 177.267 176.870 -0.212 0.000 1.036 559 L CA -0.752 54.016 54.840 -0.120 0.000 0.807 559 L CB 1.809 43.802 42.059 -0.110 0.000 1.226 559 L HN 0.463 8.693 8.230 -0.000 0.000 0.433 560 K N 1.621 121.686 120.400 -0.558 0.000 2.556 560 K HA 0.515 4.393 4.320 -0.735 0.000 0.274 560 K C -2.027 174.582 176.600 0.014 0.000 0.966 560 K CA -1.001 55.128 56.287 -0.264 0.000 0.865 560 K CB 2.521 34.806 32.500 -0.358 0.000 1.444 560 K HN 0.565 8.815 8.250 -0.000 0.000 0.433 561 W N 2.737 124.071 121.300 0.056 0.000 3.062 561 W HA 0.374 4.596 4.660 -0.730 0.000 0.336 561 W C -1.198 175.451 176.519 0.217 0.000 1.224 561 W CA -0.899 56.567 57.345 0.201 0.000 1.159 561 W CB 1.767 31.196 29.460 -0.052 0.000 1.454 561 W HN 0.724 8.904 8.180 -0.000 0.000 0.569 562 Y N 0.116 120.327 120.300 -0.148 0.000 2.307 562 Y HA 0.567 4.679 4.550 -0.729 0.000 0.324 562 Y C 0.992 177.103 175.900 0.352 0.000 1.238 562 Y CA -0.016 58.087 58.100 0.004 0.000 1.280 562 Y CB 0.388 38.716 38.460 -0.220 0.000 1.248 562 Y HN 0.437 8.717 8.280 -0.000 0.000 0.508 563 G N 1.265 110.299 108.800 0.389 0.000 2.777 563 G HA2 0.053 3.572 3.960 -0.735 0.000 0.211 563 G HA3 0.053 3.572 3.960 -0.735 0.000 0.211 563 G C -0.408 174.814 174.900 0.536 0.000 1.149 563 G CA -0.039 45.358 45.100 0.495 0.000 0.785 563 G HN 0.525 8.815 8.290 -0.000 0.000 0.536 564 L N 2.525 124.029 121.223 0.468 0.000 2.277 564 L HA 0.478 4.377 4.340 -0.735 0.000 0.284 564 L C -2.359 174.660 176.870 0.249 0.000 1.028 564 L CA -2.631 52.390 54.840 0.301 0.000 0.835 564 L CB 1.667 43.847 42.059 0.203 0.000 1.215 564 L HN -0.200 8.030 8.230 -0.000 0.000 0.425 565 P HA 0.285 4.705 4.420 -0.000 0.000 0.286 565 P C -1.186 176.022 177.300 -0.154 0.000 1.321 565 P CA -0.267 62.683 63.100 -0.249 0.000 0.790 565 P CB 1.322 32.455 31.700 -0.945 0.000 0.897 566 A N 4.644 127.388 122.820 -0.126 0.000 2.893 566 A HA 0.328 4.207 4.320 -0.735 0.000 0.333 566 A C -0.039 177.308 177.584 -0.395 0.000 1.152 566 A CA -0.639 51.248 52.037 -0.249 0.000 0.782 566 A CB 0.340 19.216 19.000 -0.207 0.000 1.108 566 A HN 0.297 8.447 8.150 -0.000 0.000 0.469 567 V N 2.464 122.015 119.914 -0.605 0.000 2.539 567 V HA 0.041 3.719 4.120 -0.735 0.000 0.300 567 V C 1.363 176.994 176.094 -0.771 0.000 1.019 567 V CA 1.675 63.550 62.300 -0.708 0.000 1.160 567 V CB 0.587 31.828 31.823 -0.971 0.000 0.901 567 V HN 1.029 9.219 8.190 -0.000 0.000 0.481 568 S N 1.917 117.364 115.700 -0.422 0.000 2.666 568 S HA 0.049 4.078 4.470 -0.735 0.000 0.239 568 S C 0.856 175.359 174.600 -0.160 0.000 1.031 568 S CA 0.069 58.099 58.200 -0.284 0.000 1.015 568 S CB -0.314 62.765 63.200 -0.201 0.000 0.981 568 S HN 0.916 9.226 8.310 -0.000 0.000 0.547 569 N N 0.513 119.120 118.700 -0.156 0.000 2.235 569 N HA 0.288 4.587 4.740 -0.735 0.000 0.209 569 N C 0.296 175.792 175.510 -0.024 0.000 1.122 569 N CA -0.431 52.562 53.050 -0.095 0.000 0.845 569 N CB 0.057 38.470 38.487 -0.122 0.000 1.004 569 N HN 0.286 8.666 8.380 -0.000 0.000 0.499 570 M N 1.024 120.628 119.600 0.007 0.000 2.371 570 M HA 0.333 4.372 4.480 -0.735 0.000 0.301 570 M C -0.606 175.795 176.300 0.168 0.000 1.173 570 M CA -0.761 54.605 55.300 0.110 0.000 1.020 570 M CB 1.924 34.624 32.600 0.167 0.000 1.490 570 M HN 0.102 8.392 8.290 -0.000 0.000 0.485 571 L N 2.247 123.578 121.223 0.179 0.000 2.325 571 L HA 0.500 4.399 4.340 -0.735 0.000 0.281 571 L C -1.476 175.501 176.870 0.179 0.000 1.004 571 L CA -0.935 54.001 54.840 0.161 0.000 0.823 571 L CB 1.371 43.476 42.059 0.077 0.000 1.236 571 L HN 0.539 8.769 8.230 -0.000 0.000 0.415 572 L N 4.934 126.272 121.223 0.192 0.000 2.264 572 L HA 0.445 4.344 4.340 -0.735 0.000 0.289 572 L C -0.431 176.470 176.870 0.052 0.000 1.044 572 L CA 0.315 55.176 54.840 0.034 0.000 0.807 572 L CB 1.292 43.375 42.059 0.039 0.000 1.192 572 L HN 0.690 8.920 8.230 -0.000 0.000 0.425 573 E N 5.543 125.693 120.200 -0.084 0.000 2.158 573 E HA 0.576 4.485 4.350 -0.735 0.000 0.271 573 E C -1.446 175.078 176.600 -0.126 0.000 0.911 573 E CA -0.496 55.860 56.400 -0.073 0.000 0.767 573 E CB 1.028 30.678 29.700 -0.083 0.000 1.120 573 E HN 0.710 9.070 8.360 -0.000 0.000 0.405 574 I N 3.426 123.922 120.570 -0.124 0.000 2.534 574 I HA 0.321 4.050 4.170 -0.735 0.000 0.288 574 I C 0.657 176.543 176.117 -0.385 0.000 1.077 574 I CA -0.791 60.309 61.300 -0.334 0.000 1.051 574 I CB 2.114 39.892 38.000 -0.370 0.000 1.234 574 I HN 0.858 9.068 8.210 -0.000 0.000 0.425 575 G N 4.161 112.709 108.800 -0.419 0.000 2.379 575 G HA2 -0.105 3.413 3.960 -0.735 0.000 0.297 575 G HA3 -0.105 3.413 3.960 -0.735 0.000 0.297 575 G C 1.057 175.999 174.900 0.070 0.000 1.004 575 G CA 0.909 45.970 45.100 -0.065 0.000 0.921 575 G HN 1.607 9.897 8.290 -0.000 0.000 0.511 576 G N -1.943 106.850 108.800 -0.011 0.000 2.253 576 G HA2 -0.257 3.262 3.960 -0.735 0.000 0.251 576 G HA3 -0.257 3.262 3.960 -0.735 0.000 0.251 576 G C 0.552 175.391 174.900 -0.102 0.000 0.998 576 G CA 0.473 45.566 45.100 -0.012 0.000 0.621 576 G HN 1.308 9.598 8.290 -0.000 0.000 0.524 577 L N 1.154 122.262 121.223 -0.192 0.000 2.371 577 L HA 0.492 4.391 4.340 -0.735 0.000 0.272 577 L C 0.323 176.950 176.870 -0.406 0.000 1.124 577 L CA -0.266 54.345 54.840 -0.382 0.000 0.816 577 L CB 0.885 42.607 42.059 -0.562 0.000 1.129 577 L HN 0.203 8.433 8.230 -0.000 0.000 0.448 578 E N 3.322 123.234 120.200 -0.481 0.000 2.129 578 E HA 0.318 4.227 4.350 -0.735 0.000 0.268 578 E C -1.371 174.935 176.600 -0.491 0.000 0.900 578 E CA -0.344 55.846 56.400 -0.350 0.000 0.755 578 E CB 1.255 30.843 29.700 -0.187 0.000 1.117 578 E HN 0.296 8.656 8.360 -0.000 0.000 0.410 579 F N 2.044 121.956 119.950 -0.063 0.000 2.303 579 F HA 0.079 4.163 4.527 -0.738 0.000 0.368 579 F C 1.552 177.373 175.800 0.034 0.000 1.105 579 F CA -0.462 57.523 58.000 -0.026 0.000 1.153 579 F CB 0.994 39.962 39.000 -0.053 0.000 1.362 579 F HN 0.420 8.720 8.300 -0.000 0.000 0.511 580 S N 1.240 117.027 115.700 0.145 0.000 2.515 580 S HA 0.208 4.237 4.470 -0.735 0.000 0.231 580 S C 0.808 175.514 174.600 0.177 0.000 0.987 580 S CA 0.270 58.549 58.200 0.132 0.000 0.936 580 S CB 0.047 63.298 63.200 0.085 0.000 0.766 580 S HN 0.477 8.787 8.310 -0.000 0.000 0.528 581 A N 0.997 123.975 122.820 0.262 0.000 2.363 581 A HA 0.589 4.467 4.320 -0.735 0.000 0.296 581 A C -0.117 177.691 177.584 0.374 0.000 1.237 581 A CA -0.663 51.558 52.037 0.308 0.000 0.773 581 A CB 0.256 19.463 19.000 0.345 0.000 1.153 581 A HN 0.976 9.126 8.150 -0.000 0.000 0.473 582 C N 0.959 120.422 119.300 0.271 0.000 3.421 582 C HA 0.488 4.507 4.460 -0.735 0.000 0.194 582 C C -2.688 172.416 174.990 0.190 0.000 1.418 582 C CA -1.870 57.283 59.018 0.224 0.000 1.226 582 C CB -0.216 27.693 27.740 0.283 0.000 1.875 582 C HN 0.575 8.805 8.230 -0.000 0.000 0.561 583 P HA 0.283 4.702 4.420 -0.000 0.000 0.264 583 P C -0.594 176.705 177.300 -0.001 0.000 1.193 583 P CA 0.988 64.028 63.100 -0.100 0.000 0.763 583 P CB 0.453 32.069 31.700 -0.139 0.000 0.810 584 F N 0.051 119.927 119.950 -0.123 0.000 2.603 584 F HA 0.795 4.883 4.527 -0.733 0.000 0.317 584 F C -0.569 175.140 175.800 -0.153 0.000 1.066 584 F CA -1.232 56.705 58.000 -0.105 0.000 0.941 584 F CB 1.581 40.392 39.000 -0.315 0.000 1.291 584 F HN 0.400 8.700 8.300 -0.000 0.000 0.472 585 S N -0.013 115.797 115.700 0.183 0.000 2.579 585 S HA 0.949 4.978 4.470 -0.735 0.000 0.272 585 S C -0.719 173.835 174.600 -0.076 0.000 1.141 585 S CA -0.205 58.022 58.200 0.045 0.000 0.843 585 S CB 1.480 64.772 63.200 0.153 0.000 1.122 585 S HN 1.459 9.769 8.310 -0.000 0.000 0.468 586 G N -0.142 108.559 108.800 -0.164 0.000 3.366 586 G HA2 0.748 4.267 3.960 -0.735 0.000 0.179 586 G HA3 0.748 4.267 3.960 -0.735 0.000 0.179 586 G C -1.650 173.213 174.900 -0.061 0.000 1.143 586 G CA -0.303 44.607 45.100 -0.316 0.000 0.810 586 G HN 1.175 9.465 8.290 -0.000 0.000 0.697 587 W N -1.467 119.822 121.300 -0.018 0.000 3.118 587 W HA 0.786 5.004 4.660 -0.737 0.000 0.328 587 W C -1.532 174.971 176.519 -0.027 0.000 1.239 587 W CA -2.239 55.110 57.345 0.006 0.000 1.176 587 W CB 0.342 29.853 29.460 0.085 0.000 1.433 587 W HN 0.475 8.655 8.180 -0.000 0.000 0.562 588 Y N 2.620 123.094 120.300 0.290 0.000 2.397 588 Y HA 0.234 4.343 4.550 -0.736 0.000 0.335 588 Y C 0.963 176.911 175.900 0.081 0.000 1.213 588 Y CA -0.377 57.772 58.100 0.082 0.000 1.391 588 Y CB 1.054 39.453 38.460 -0.102 0.000 1.293 588 Y HN 0.429 8.709 8.280 -0.000 0.000 0.557 589 M N 2.423 122.157 119.600 0.223 0.000 2.238 589 M HA 0.335 4.374 4.480 -0.735 0.000 0.350 589 M C 1.119 177.406 176.300 -0.022 0.000 1.138 589 M CA -0.061 55.303 55.300 0.107 0.000 1.040 589 M CB 1.295 33.937 32.600 0.070 0.000 1.639 589 M HN 0.881 9.171 8.290 -0.000 0.000 0.451 590 G N 1.667 110.414 108.800 -0.088 0.000 2.574 590 G HA2 -0.344 3.175 3.960 -0.735 0.000 0.220 590 G HA3 -0.344 3.175 3.960 -0.735 0.000 0.220 590 G C 1.162 175.903 174.900 -0.266 0.000 1.173 590 G CA 1.938 46.907 45.100 -0.219 0.000 0.772 590 G HN 0.900 9.190 8.290 -0.000 0.000 0.585 591 T N -0.737 113.700 114.554 -0.194 0.000 2.822 591 T HA -0.101 3.807 4.350 -0.735 0.000 0.270 591 T C 1.943 176.474 174.700 -0.282 0.000 1.064 591 T CA 1.782 63.727 62.100 -0.259 0.000 1.131 591 T CB -0.370 68.312 68.868 -0.309 0.000 0.858 591 T HN 0.563 8.803 8.240 -0.000 0.000 0.483 592 E N 0.820 120.872 120.200 -0.247 0.000 2.085 592 E HA -0.064 3.845 4.350 -0.735 0.000 0.194 592 E C 2.069 178.389 176.600 -0.466 0.000 0.994 592 E CA 1.482 57.741 56.400 -0.234 0.000 0.801 592 E CB -0.305 29.391 29.700 -0.007 0.000 0.743 592 E HN 0.615 8.975 8.360 -0.000 0.000 0.453 593 I N 0.080 120.210 120.570 -0.734 0.000 2.364 593 I HA -0.047 3.682 4.170 -0.735 0.000 0.241 593 I C 2.604 178.161 176.117 -0.934 0.000 1.082 593 I CA 0.864 61.447 61.300 -1.195 0.000 1.401 593 I CB -0.524 36.591 38.000 -1.474 0.000 1.126 593 I HN 0.095 8.305 8.210 -0.000 0.000 0.429 594 G N 0.609 109.064 108.800 -0.575 0.000 2.442 594 G HA2 -0.147 3.371 3.960 -0.735 0.000 0.219 594 G HA3 -0.147 3.371 3.960 -0.735 0.000 0.219 594 G C 1.583 176.412 174.900 -0.118 0.000 1.141 594 G CA 1.197 46.160 45.100 -0.229 0.000 0.763 594 G HN 0.233 8.523 8.290 -0.000 0.000 0.554 595 V N 0.094 119.890 119.914 -0.196 0.000 2.403 595 V HA 0.078 3.757 4.120 -0.735 0.000 0.239 595 V C 2.799 178.819 176.094 -0.123 0.000 1.041 595 V CA 0.968 63.185 62.300 -0.138 0.000 1.051 595 V CB -0.299 31.413 31.823 -0.185 0.000 0.704 595 V HN 0.110 8.300 8.190 -0.000 0.000 0.472 596 R N 0.718 121.109 120.500 -0.182 0.000 2.055 596 R HA -0.035 3.864 4.340 -0.735 0.000 0.226 596 R C 1.952 178.188 176.300 -0.106 0.000 1.135 596 R CA 1.493 57.508 56.100 -0.141 0.000 0.959 596 R CB -1.015 29.186 30.300 -0.164 0.000 0.854 596 R HN 0.486 8.756 8.270 -0.000 0.000 0.431 597 D N -0.049 120.197 120.400 -0.256 0.000 2.144 597 D HA -0.116 4.083 4.640 -0.735 0.000 0.200 597 D C 2.017 178.342 176.300 0.041 0.000 0.978 597 D CA 1.187 55.039 54.000 -0.247 0.000 0.833 597 D CB -0.217 40.025 40.800 -0.930 0.000 0.961 597 D HN 0.359 8.729 8.370 -0.000 0.000 0.470 598 Y N -0.346 119.866 120.300 -0.145 0.000 2.347 598 Y HA -0.022 4.086 4.550 -0.736 0.000 0.294 598 Y C 2.229 178.184 175.900 0.092 0.000 1.117 598 Y CA 0.206 58.315 58.100 0.016 0.000 1.184 598 Y CB 0.380 38.820 38.460 -0.033 0.000 1.047 598 Y HN 0.019 8.299 8.280 -0.000 0.000 0.546 599 C N -0.832 118.584 119.300 0.193 0.000 3.065 599 C HA 0.148 4.167 4.460 -0.735 0.000 0.285 599 C C 0.358 175.397 174.990 0.082 0.000 1.257 599 C CA -0.741 58.354 59.018 0.128 0.000 1.691 599 C CB -0.762 27.027 27.740 0.082 0.000 2.089 599 C HN 0.253 8.483 8.230 -0.000 0.000 0.630 600 D N 1.825 122.265 120.400 0.067 0.000 2.478 600 D HA -0.002 4.197 4.640 -0.735 0.000 0.234 600 D C 1.074 177.413 176.300 0.065 0.000 1.154 600 D CA 0.494 54.520 54.000 0.044 0.000 0.874 600 D CB 0.498 41.321 40.800 0.039 0.000 1.198 600 D HN 0.223 8.593 8.370 -0.000 0.000 0.455 601 N N -0.009 118.718 118.700 0.045 0.000 2.331 601 N HA -0.120 4.179 4.740 -0.735 0.000 0.180 601 N C 1.176 176.715 175.510 0.049 0.000 1.019 601 N CA 0.613 53.693 53.050 0.050 0.000 0.881 601 N CB -0.012 38.498 38.487 0.038 0.000 0.972 601 N HN 0.359 8.739 8.380 -0.000 0.000 0.435 602 S N -0.213 115.514 115.700 0.046 0.000 2.634 602 S HA 0.276 4.305 4.470 -0.735 0.000 0.221 602 S C 0.982 175.615 174.600 0.056 0.000 0.952 602 S CA -0.378 57.848 58.200 0.044 0.000 0.930 602 S CB 0.602 63.827 63.200 0.042 0.000 0.780 602 S HN -0.007 8.303 8.310 -0.000 0.000 0.498 603 R N 0.197 120.746 120.500 0.082 0.000 3.006 603 R HA 0.403 4.302 4.340 -0.735 0.000 0.150 603 R C 0.534 176.894 176.300 0.100 0.000 1.285 603 R CA -0.659 55.521 56.100 0.133 0.000 0.813 603 R CB -1.091 29.342 30.300 0.222 0.000 1.582 603 R HN 0.269 8.539 8.270 -0.000 0.000 0.441 604 Y N 1.892 122.312 120.300 0.200 0.000 2.574 604 Y HA -0.015 4.093 4.550 -0.737 0.000 0.294 604 Y C 0.601 176.579 175.900 0.130 0.000 1.142 604 Y CA 0.909 59.126 58.100 0.194 0.000 1.314 604 Y CB -0.534 38.118 38.460 0.319 0.000 0.991 604 Y HN 0.530 8.810 8.280 -0.000 0.000 0.555 605 N N 1.328 120.158 118.700 0.216 0.000 2.726 605 N HA -0.229 4.070 4.740 -0.735 0.000 0.287 605 N C 0.398 175.997 175.510 0.148 0.000 1.052 605 N CA 0.364 53.503 53.050 0.149 0.000 0.805 605 N CB -0.844 37.700 38.487 0.095 0.000 0.944 605 N HN 0.639 9.019 8.380 -0.000 0.000 0.574 606 I N -1.323 119.347 120.570 0.166 0.000 3.941 606 I HA 0.112 3.841 4.170 -0.735 0.000 0.335 606 I C 1.458 177.664 176.117 0.149 0.000 1.402 606 I CA -0.613 60.768 61.300 0.134 0.000 1.112 606 I CB 0.052 38.104 38.000 0.086 0.000 1.043 606 I HN 0.247 8.457 8.210 -0.000 0.000 0.395 607 L N 1.170 122.497 121.223 0.174 0.000 1.955 607 L HA -0.180 3.719 4.340 -0.735 0.000 0.213 607 L C 2.624 179.686 176.870 0.320 0.000 1.072 607 L CA 2.014 56.991 54.840 0.229 0.000 0.755 607 L CB -0.495 41.671 42.059 0.179 0.000 0.888 607 L HN 0.353 8.583 8.230 -0.000 0.000 0.432 608 E N -0.198 120.202 120.200 0.334 0.000 2.048 608 E HA -0.355 3.554 4.350 -0.735 0.000 0.202 608 E C 2.010 178.663 176.600 0.090 0.000 1.021 608 E CA 1.987 58.530 56.400 0.238 0.000 0.825 608 E CB -0.218 29.560 29.700 0.131 0.000 0.756 608 E HN 0.451 8.811 8.360 -0.000 0.000 0.454 609 E N 0.562 120.802 120.200 0.067 0.000 2.114 609 E HA -0.228 3.681 4.350 -0.735 0.000 0.199 609 E C 2.072 178.673 176.600 0.002 0.000 1.008 609 E CA 1.703 58.107 56.400 0.007 0.000 0.810 609 E CB 0.071 29.780 29.700 0.016 0.000 0.739 609 E HN 0.077 8.437 8.360 -0.000 0.000 0.456 610 V N 0.999 120.974 119.914 0.101 0.000 2.427 610 V HA -0.209 3.470 4.120 -0.735 0.000 0.248 610 V C 2.470 178.661 176.094 0.162 0.000 1.051 610 V CA 1.603 64.017 62.300 0.190 0.000 1.048 610 V CB -0.789 31.228 31.823 0.324 0.000 0.666 610 V HN 0.478 8.668 8.190 -0.000 0.000 0.456 611 A N 0.041 122.973 122.820 0.186 0.000 1.908 611 A HA -0.261 3.617 4.320 -0.735 0.000 0.218 611 A C 2.291 179.844 177.584 -0.051 0.000 1.181 611 A CA 2.131 54.268 52.037 0.167 0.000 0.627 611 A CB -0.444 18.731 19.000 0.292 0.000 0.818 611 A HN 0.546 8.696 8.150 -0.000 0.000 0.445 612 K N -0.279 120.041 120.400 -0.134 0.000 1.978 612 K HA -0.151 3.728 4.320 -0.735 0.000 0.214 612 K C 2.058 178.467 176.600 -0.318 0.000 1.049 612 K CA 1.557 57.712 56.287 -0.219 0.000 0.939 612 K CB -0.209 32.170 32.500 -0.200 0.000 0.721 612 K HN 0.206 8.456 8.250 -0.000 0.000 0.441 613 K N 0.510 120.633 120.400 -0.462 0.000 2.228 613 K HA -0.142 3.737 4.320 -0.735 0.000 0.205 613 K C 1.882 177.931 176.600 -0.919 0.000 1.045 613 K CA 1.451 57.172 56.287 -0.943 0.000 0.931 613 K CB -0.135 31.381 32.500 -1.641 0.000 0.727 613 K HN 0.319 8.569 8.250 -0.000 0.000 0.458 614 M N -0.163 119.174 119.600 -0.439 0.000 2.556 614 M HA -0.042 3.997 4.480 -0.735 0.000 0.245 614 M C -0.237 175.950 176.300 -0.189 0.000 1.128 614 M CA 0.195 55.370 55.300 -0.208 0.000 1.069 614 M CB -0.195 32.447 32.600 0.071 0.000 1.469 614 M HN 0.015 8.305 8.290 -0.000 0.000 0.494 615 D N 1.960 122.229 120.400 -0.219 0.000 2.737 615 D HA -0.152 4.046 4.640 -0.735 0.000 0.238 615 D C -1.150 175.085 176.300 -0.108 0.000 1.157 615 D CA 0.457 54.353 54.000 -0.173 0.000 0.694 615 D CB -0.757 39.939 40.800 -0.172 0.000 1.021 615 D HN 0.298 8.668 8.370 -0.000 0.000 0.420 616 L N 0.400 121.570 121.223 -0.088 0.000 2.344 616 L HA 0.397 4.296 4.340 -0.735 0.000 0.272 616 L C 0.791 177.600 176.870 -0.101 0.000 1.035 616 L CA -1.060 53.763 54.840 -0.028 0.000 0.807 616 L CB 1.079 43.191 42.059 0.088 0.000 1.237 616 L HN 0.046 8.276 8.230 -0.000 0.000 0.442 617 D N 2.624 122.992 120.400 -0.053 0.000 2.367 617 D HA 0.078 4.277 4.640 -0.735 0.000 0.255 617 D C 0.345 176.526 176.300 -0.199 0.000 1.300 617 D CA 0.294 54.238 54.000 -0.093 0.000 0.959 617 D CB 0.667 41.457 40.800 -0.017 0.000 1.064 617 D HN 0.368 8.738 8.370 -0.000 0.000 0.509 618 M N 2.874 122.202 119.600 -0.453 0.000 2.530 618 M HA 0.164 4.202 4.480 -0.735 0.000 0.231 618 M C 1.651 177.698 176.300 -0.422 0.000 1.180 618 M CA -0.150 54.586 55.300 -0.941 0.000 0.985 618 M CB 0.450 32.283 32.600 -1.279 0.000 1.623 618 M HN 0.167 8.457 8.290 -0.000 0.000 0.475 619 R N 1.731 122.126 120.500 -0.175 0.000 2.093 619 R HA 0.010 3.909 4.340 -0.735 0.000 0.224 619 R C 0.344 176.666 176.300 0.036 0.000 1.101 619 R CA 0.896 56.958 56.100 -0.063 0.000 0.979 619 R CB 0.114 30.387 30.300 -0.045 0.000 0.877 619 R HN 0.346 8.616 8.270 -0.000 0.000 0.441 620 K N -0.058 120.402 120.400 0.101 0.000 2.397 620 K HA 0.236 4.115 4.320 -0.735 0.000 0.253 620 K C 0.427 177.185 176.600 0.265 0.000 0.932 620 K CA -0.373 56.004 56.287 0.150 0.000 0.795 620 K CB 1.973 34.529 32.500 0.094 0.000 1.159 620 K HN -0.143 8.107 8.250 -0.000 0.000 0.424 621 T N -1.346 113.350 114.554 0.237 0.000 2.778 621 T HA -0.253 3.656 4.350 -0.735 0.000 0.269 621 T C 1.858 176.614 174.700 0.094 0.000 1.050 621 T CA 1.864 64.067 62.100 0.172 0.000 1.137 621 T CB -0.574 68.333 68.868 0.065 0.000 0.860 621 T HN 0.687 8.927 8.240 -0.000 0.000 0.468 622 S N 1.931 117.687 115.700 0.093 0.000 2.537 622 S HA -0.070 3.959 4.470 -0.735 0.000 0.240 622 S C 2.051 176.699 174.600 0.080 0.000 0.981 622 S CA 0.866 59.104 58.200 0.063 0.000 0.948 622 S CB -0.924 62.307 63.200 0.052 0.000 0.759 622 S HN 0.806 9.116 8.310 -0.000 0.000 0.531 623 S N 1.488 117.272 115.700 0.140 0.000 2.562 623 S HA 0.260 4.289 4.470 -0.735 0.000 0.221 623 S C 0.924 175.608 174.600 0.140 0.000 0.975 623 S CA 0.130 58.420 58.200 0.149 0.000 0.918 623 S CB -0.968 62.352 63.200 0.201 0.000 0.772 623 S HN 0.645 8.955 8.310 -0.000 0.000 0.531 624 L N 0.975 122.247 121.223 0.082 0.000 3.717 624 L HA -0.178 3.720 4.340 -0.735 0.000 0.414 624 L C 1.642 178.520 176.870 0.014 0.000 1.228 624 L CA 0.655 55.483 54.840 -0.019 0.000 0.918 624 L CB -2.468 39.592 42.059 0.001 0.000 1.865 624 L HN 0.724 8.954 8.230 -0.000 0.000 0.922 625 W N -0.003 121.318 121.300 0.035 0.000 2.363 625 W HA -0.143 4.076 4.660 -0.736 0.000 0.296 625 W C 1.750 178.303 176.519 0.056 0.000 1.212 625 W CA 1.313 58.684 57.345 0.043 0.000 1.260 625 W CB -0.749 28.729 29.460 0.030 0.000 1.131 625 W HN 0.279 8.459 8.180 -0.000 0.000 0.530 626 K N 1.057 121.024 120.400 -0.722 0.000 2.057 626 K HA -0.170 3.709 4.320 -0.735 0.000 0.207 626 K C 1.540 178.017 176.600 -0.205 0.000 1.049 626 K CA 2.390 58.302 56.287 -0.625 0.000 0.931 626 K CB -0.360 31.606 32.500 -0.891 0.000 0.714 626 K HN 0.067 8.317 8.250 -0.000 0.000 0.440 627 D N 0.670 120.967 120.400 -0.171 0.000 2.097 627 D HA -0.147 4.052 4.640 -0.735 0.000 0.195 627 D C 2.051 178.364 176.300 0.022 0.000 0.989 627 D CA 1.017 54.979 54.000 -0.065 0.000 0.827 627 D CB -0.039 40.728 40.800 -0.056 0.000 0.966 627 D HN 0.161 8.531 8.370 -0.000 0.000 0.456 628 Q N 0.248 120.088 119.800 0.068 0.000 2.061 628 Q HA -0.188 3.711 4.340 -0.735 0.000 0.204 628 Q C 2.344 178.453 176.000 0.182 0.000 0.984 628 Q CA 1.489 57.371 55.803 0.133 0.000 0.846 628 Q CB -0.269 28.570 28.738 0.168 0.000 0.902 628 Q HN 0.317 8.587 8.270 -0.000 0.000 0.421 629 A N 0.992 123.940 122.820 0.212 0.000 1.877 629 A HA -0.198 3.681 4.320 -0.735 0.000 0.216 629 A C 2.097 179.813 177.584 0.220 0.000 1.186 629 A CA 1.290 53.492 52.037 0.275 0.000 0.620 629 A CB -0.819 18.369 19.000 0.314 0.000 0.822 629 A HN 0.339 8.489 8.150 -0.000 0.000 0.443 630 L N 0.186 121.487 121.223 0.130 0.000 2.010 630 L HA -0.220 3.679 4.340 -0.735 0.000 0.219 630 L C 2.462 179.383 176.870 0.086 0.000 1.077 630 L CA 2.408 57.299 54.840 0.085 0.000 0.773 630 L CB -0.664 41.401 42.059 0.009 0.000 0.892 630 L HN 0.206 8.436 8.230 -0.000 0.000 0.436 631 V N -0.362 119.602 119.914 0.083 0.000 2.255 631 V HA -0.286 3.393 4.120 -0.735 0.000 0.247 631 V C 2.642 178.785 176.094 0.081 0.000 1.051 631 V CA 1.967 64.313 62.300 0.076 0.000 1.018 631 V CB -0.831 31.042 31.823 0.084 0.000 0.641 631 V HN 0.468 8.658 8.190 -0.000 0.000 0.445 632 E N 0.069 120.358 120.200 0.147 0.000 2.058 632 E HA -0.202 3.706 4.350 -0.735 0.000 0.194 632 E C 2.150 178.803 176.600 0.088 0.000 0.997 632 E CA 1.574 58.077 56.400 0.172 0.000 0.801 632 E CB -0.464 29.434 29.700 0.330 0.000 0.746 632 E HN 0.595 8.955 8.360 -0.000 0.000 0.450 633 I N 1.678 122.368 120.570 0.200 0.000 2.118 633 I HA -0.311 3.418 4.170 -0.735 0.000 0.241 633 I C 2.122 178.263 176.117 0.040 0.000 1.070 633 I CA 1.140 62.571 61.300 0.219 0.000 1.327 633 I CB -0.417 37.776 38.000 0.322 0.000 1.034 633 I HN 0.099 8.309 8.210 -0.000 0.000 0.405 634 N N 0.769 119.483 118.700 0.023 0.000 2.289 634 N HA -0.132 4.167 4.740 -0.735 0.000 0.184 634 N C 1.914 177.373 175.510 -0.085 0.000 1.016 634 N CA 1.301 54.328 53.050 -0.038 0.000 0.872 634 N CB -0.062 38.405 38.487 -0.033 0.000 0.973 634 N HN 0.417 8.797 8.380 -0.000 0.000 0.433 635 I N 0.977 121.465 120.570 -0.137 0.000 2.439 635 I HA -0.173 3.556 4.170 -0.735 0.000 0.251 635 I C 2.376 178.285 176.117 -0.347 0.000 1.139 635 I CA 0.402 61.563 61.300 -0.232 0.000 1.438 635 I CB -0.139 37.669 38.000 -0.320 0.000 1.085 635 I HN 0.044 8.254 8.210 -0.000 0.000 0.427 636 A N 0.468 123.007 122.820 -0.468 0.000 1.877 636 A HA -0.148 3.731 4.320 -0.735 0.000 0.216 636 A C 2.413 179.908 177.584 -0.149 0.000 1.186 636 A CA 1.582 53.308 52.037 -0.519 0.000 0.620 636 A CB -0.950 17.493 19.000 -0.928 0.000 0.822 636 A HN 0.202 8.352 8.150 -0.000 0.000 0.443 637 V N 0.251 120.123 119.914 -0.070 0.000 2.255 637 V HA -0.294 3.385 4.120 -0.735 0.000 0.247 637 V C 2.600 178.691 176.094 -0.005 0.000 1.051 637 V CA 2.162 64.461 62.300 -0.002 0.000 1.018 637 V CB -0.792 30.948 31.823 -0.137 0.000 0.641 637 V HN 0.575 8.765 8.190 -0.000 0.000 0.445 638 L N -1.552 119.631 121.223 -0.067 0.000 2.083 638 L HA -0.207 3.692 4.340 -0.735 0.000 0.209 638 L C 2.471 179.363 176.870 0.037 0.000 1.083 638 L CA 1.862 56.679 54.840 -0.037 0.000 0.752 638 L CB -0.657 41.376 42.059 -0.044 0.000 0.899 638 L HN 0.425 8.655 8.230 -0.000 0.000 0.433 639 Y N 0.520 120.755 120.300 -0.109 0.000 2.163 639 Y HA -0.234 3.875 4.550 -0.735 0.000 0.288 639 Y C 2.789 178.665 175.900 -0.040 0.000 1.136 639 Y CA 1.597 59.627 58.100 -0.116 0.000 1.147 639 Y CB -0.253 38.063 38.460 -0.240 0.000 0.987 639 Y HN 0.051 8.331 8.280 -0.000 0.000 0.509 640 S N 0.275 115.947 115.700 -0.046 0.000 2.353 640 S HA -0.190 3.839 4.470 -0.735 0.000 0.222 640 S C 1.822 176.387 174.600 -0.058 0.000 1.035 640 S CA 1.658 59.815 58.200 -0.072 0.000 1.025 640 S CB -0.842 62.417 63.200 0.099 0.000 0.902 640 S HN 0.427 8.737 8.310 -0.000 0.000 0.440 641 F N 1.948 121.826 119.950 -0.120 0.000 2.095 641 F HA -0.149 3.936 4.527 -0.736 0.000 0.298 641 F C 2.728 178.455 175.800 -0.122 0.000 1.104 641 F CA 1.316 59.265 58.000 -0.086 0.000 1.232 641 F CB -0.796 38.178 39.000 -0.045 0.000 0.987 641 F HN 0.231 8.531 8.300 -0.000 0.000 0.475 642 Q N -0.662 119.165 119.800 0.046 0.000 2.084 642 Q HA -0.169 3.730 4.340 -0.735 0.000 0.202 642 Q C 2.389 178.295 176.000 -0.158 0.000 0.978 642 Q CA 1.795 57.564 55.803 -0.057 0.000 0.844 642 Q CB -0.370 28.330 28.738 -0.064 0.000 0.898 642 Q HN 0.292 8.562 8.270 -0.000 0.000 0.426 643 S N 1.212 116.732 115.700 -0.301 0.000 2.359 643 S HA -0.135 3.894 4.470 -0.735 0.000 0.224 643 S C 1.022 175.498 174.600 -0.206 0.000 1.035 643 S CA 1.386 59.378 58.200 -0.347 0.000 1.018 643 S CB -0.195 62.671 63.200 -0.558 0.000 0.876 643 S HN 0.348 8.658 8.310 -0.000 0.000 0.448 644 D N 0.486 120.772 120.400 -0.189 0.000 2.324 644 D HA 0.166 4.365 4.640 -0.735 0.000 0.235 644 D C 0.309 176.535 176.300 -0.124 0.000 1.095 644 D CA 0.226 54.134 54.000 -0.154 0.000 0.871 644 D CB -0.134 40.552 40.800 -0.189 0.000 0.906 644 D HN 0.063 8.433 8.370 -0.000 0.000 0.522 645 K N -0.874 119.463 120.400 -0.105 0.000 3.069 645 K HA -0.138 3.741 4.320 -0.735 0.000 0.267 645 K C -0.941 175.620 176.600 -0.065 0.000 1.082 645 K CA 0.222 56.462 56.287 -0.079 0.000 0.782 645 K CB -1.590 30.866 32.500 -0.072 0.000 1.230 645 K HN 0.051 8.301 8.250 -0.000 0.000 0.488 646 V N 1.093 120.975 119.914 -0.053 0.000 2.427 646 V HA 0.248 3.926 4.120 -0.735 0.000 0.286 646 V C 0.775 176.934 176.094 0.108 0.000 1.034 646 V CA -0.725 61.573 62.300 -0.002 0.000 0.893 646 V CB 1.835 33.590 31.823 -0.113 0.000 0.982 646 V HN 0.254 8.444 8.190 -0.000 0.000 0.452 647 T N 6.463 121.044 114.554 0.045 0.000 2.905 647 T HA 0.374 4.283 4.350 -0.735 0.000 0.299 647 T C -0.239 174.522 174.700 0.102 0.000 1.024 647 T CA 0.935 62.995 62.100 -0.067 0.000 1.151 647 T CB -0.038 68.654 68.868 -0.293 0.000 0.987 647 T HN 0.593 8.833 8.240 -0.000 0.000 0.535 648 I N 2.418 122.991 120.570 0.005 0.000 2.882 648 I HA 0.573 4.302 4.170 -0.735 0.000 0.298 648 I C -1.664 174.472 176.117 0.030 0.000 1.462 648 I CA -0.885 60.458 61.300 0.070 0.000 1.000 648 I CB 1.805 39.781 38.000 -0.039 0.000 1.340 648 I HN 0.444 8.654 8.210 -0.000 0.000 0.462 649 V N 5.290 125.272 119.914 0.113 0.000 2.709 649 V HA 0.490 4.168 4.120 -0.735 0.000 0.308 649 V C -1.168 174.964 176.094 0.063 0.000 1.062 649 V CA -0.281 62.082 62.300 0.105 0.000 0.901 649 V CB 2.237 34.197 31.823 0.229 0.000 1.003 649 V HN 0.869 9.059 8.190 -0.000 0.000 0.425 650 D N 4.053 124.470 120.400 0.028 0.000 2.344 650 D HA 0.168 4.367 4.640 -0.735 0.000 0.244 650 D C 1.309 177.592 176.300 -0.029 0.000 1.134 650 D CA 0.137 54.135 54.000 -0.004 0.000 0.930 650 D CB 0.523 41.294 40.800 -0.048 0.000 1.175 650 D HN 0.735 9.105 8.370 -0.000 0.000 0.437 651 H N 0.643 119.628 119.070 -0.141 0.000 2.456 651 H HA -0.174 3.940 4.556 -0.735 0.000 0.296 651 H C 0.986 176.216 175.328 -0.163 0.000 1.079 651 H CA 1.435 57.372 56.048 -0.184 0.000 1.322 651 H CB -0.623 28.971 29.762 -0.281 0.000 1.388 651 H HN 0.544 8.824 8.280 -0.000 0.000 0.538 652 H N 0.778 119.635 119.070 -0.355 0.000 2.299 652 H HA -0.085 4.030 4.556 -0.735 0.000 0.302 652 H C 2.543 177.845 175.328 -0.044 0.000 1.078 652 H CA 1.491 57.432 56.048 -0.179 0.000 1.323 652 H CB -0.301 29.320 29.762 -0.235 0.000 1.381 652 H HN 0.416 8.696 8.280 -0.000 0.000 0.498 653 S N 0.572 116.320 115.700 0.080 0.000 2.368 653 S HA -0.125 3.904 4.470 -0.735 0.000 0.225 653 S C 2.411 177.076 174.600 0.107 0.000 1.030 653 S CA 1.202 59.451 58.200 0.082 0.000 0.999 653 S CB -0.286 62.951 63.200 0.062 0.000 0.844 653 S HN 0.468 8.778 8.310 -0.000 0.000 0.459 654 A N 0.852 123.736 122.820 0.108 0.000 1.898 654 A HA -0.042 3.837 4.320 -0.735 0.000 0.216 654 A C 2.476 180.160 177.584 0.167 0.000 1.181 654 A CA 2.237 54.360 52.037 0.144 0.000 0.620 654 A CB -1.560 17.517 19.000 0.128 0.000 0.819 654 A HN 0.784 8.934 8.150 -0.000 0.000 0.442 655 T N -1.994 112.643 114.554 0.139 0.000 2.821 655 T HA -0.131 3.778 4.350 -0.735 0.000 0.267 655 T C 1.748 176.578 174.700 0.217 0.000 1.046 655 T CA 1.375 63.580 62.100 0.175 0.000 1.139 655 T CB -0.328 68.613 68.868 0.121 0.000 0.871 655 T HN 0.613 8.853 8.240 -0.000 0.000 0.454 656 E N 1.627 121.927 120.200 0.166 0.000 2.077 656 E HA -0.197 3.712 4.350 -0.735 0.000 0.193 656 E C 2.418 179.105 176.600 0.144 0.000 0.989 656 E CA 1.566 58.052 56.400 0.142 0.000 0.800 656 E CB -0.232 29.532 29.700 0.108 0.000 0.746 656 E HN 0.716 9.076 8.360 -0.000 0.000 0.452 657 S N -0.231 115.564 115.700 0.158 0.000 2.402 657 S HA -0.164 3.865 4.470 -0.735 0.000 0.229 657 S C 1.894 176.604 174.600 0.184 0.000 1.021 657 S CA 0.782 59.073 58.200 0.152 0.000 0.974 657 S CB -0.574 62.719 63.200 0.155 0.000 0.800 657 S HN 0.417 8.727 8.310 -0.000 0.000 0.484 658 F N 2.138 122.156 119.950 0.113 0.000 2.186 658 F HA 0.116 4.202 4.527 -0.735 0.000 0.299 658 F C 1.948 177.840 175.800 0.154 0.000 1.090 658 F CA 0.767 58.852 58.000 0.142 0.000 1.307 658 F CB -0.229 38.836 39.000 0.107 0.000 1.019 658 F HN 0.132 8.432 8.300 -0.000 0.000 0.489 659 I N 0.774 121.413 120.570 0.115 0.000 2.226 659 I HA -0.291 3.438 4.170 -0.735 0.000 0.245 659 I C 2.429 178.518 176.117 -0.047 0.000 1.100 659 I CA 1.459 62.777 61.300 0.031 0.000 1.374 659 I CB -1.302 36.765 38.000 0.111 0.000 1.057 659 I HN 0.212 8.422 8.210 -0.000 0.000 0.413 660 K N 0.111 120.514 120.400 0.005 0.000 2.057 660 K HA -0.272 3.607 4.320 -0.735 0.000 0.207 660 K C 2.346 178.931 176.600 -0.025 0.000 1.049 660 K CA 1.720 58.010 56.287 0.004 0.000 0.931 660 K CB -0.241 32.285 32.500 0.042 0.000 0.714 660 K HN 0.294 8.544 8.250 -0.000 0.000 0.440 661 H N 0.356 119.337 119.070 -0.148 0.000 2.353 661 H HA -0.048 4.067 4.556 -0.735 0.000 0.300 661 H C 2.053 177.236 175.328 -0.243 0.000 1.090 661 H CA 2.200 58.137 56.048 -0.184 0.000 1.327 661 H CB -0.073 29.556 29.762 -0.222 0.000 1.383 661 H HN 0.141 8.421 8.280 -0.000 0.000 0.508 662 M N 0.157 119.459 119.600 -0.497 0.000 2.080 662 M HA -0.202 3.837 4.480 -0.735 0.000 0.260 662 M C 2.123 178.375 176.300 -0.080 0.000 1.068 662 M CA 2.218 57.302 55.300 -0.359 0.000 1.109 662 M CB -0.117 32.315 32.600 -0.280 0.000 1.342 662 M HN 0.488 8.778 8.290 -0.000 0.000 0.405 663 E N -0.122 120.026 120.200 -0.087 0.000 2.058 663 E HA -0.208 3.701 4.350 -0.735 0.000 0.194 663 E C 1.699 178.290 176.600 -0.015 0.000 0.997 663 E CA 1.229 57.615 56.400 -0.023 0.000 0.801 663 E CB -0.346 29.331 29.700 -0.039 0.000 0.746 663 E HN 0.524 8.884 8.360 -0.000 0.000 0.450 664 N N 0.962 119.616 118.700 -0.076 0.000 2.069 664 N HA -0.169 4.129 4.740 -0.735 0.000 0.191 664 N C 1.699 177.146 175.510 -0.106 0.000 1.031 664 N CA 0.995 54.005 53.050 -0.067 0.000 0.852 664 N CB -0.216 38.241 38.487 -0.050 0.000 1.018 664 N HN 0.184 8.564 8.380 -0.000 0.000 0.423 665 E N 0.117 120.171 120.200 -0.244 0.000 2.077 665 E HA -0.132 3.777 4.350 -0.735 0.000 0.193 665 E C 1.951 178.424 176.600 -0.211 0.000 0.989 665 E CA 0.745 56.966 56.400 -0.297 0.000 0.800 665 E CB -0.420 28.972 29.700 -0.514 0.000 0.746 665 E HN 0.489 8.849 8.360 -0.000 0.000 0.452 666 Y N 1.390 121.599 120.300 -0.152 0.000 2.181 666 Y HA -0.215 3.894 4.550 -0.735 0.000 0.288 666 Y C 2.655 178.520 175.900 -0.058 0.000 1.146 666 Y CA 2.129 60.179 58.100 -0.082 0.000 1.164 666 Y CB -0.120 38.302 38.460 -0.063 0.000 0.982 666 Y HN 0.105 8.385 8.280 -0.000 0.000 0.515 667 R N -0.358 120.184 120.500 0.071 0.000 2.075 667 R HA -0.075 3.824 4.340 -0.735 0.000 0.226 667 R C 2.176 178.473 176.300 -0.004 0.000 1.114 667 R CA 1.594 57.715 56.100 0.035 0.000 0.972 667 R CB -1.432 28.885 30.300 0.029 0.000 0.869 667 R HN 0.444 8.714 8.270 -0.000 0.000 0.437 668 C N -1.129 118.157 119.300 -0.024 0.000 2.594 668 C HA 0.397 4.416 4.460 -0.735 0.000 0.265 668 C C 2.067 177.029 174.990 -0.047 0.000 1.351 668 C CA -0.200 58.804 59.018 -0.023 0.000 1.744 668 C CB -0.511 27.227 27.740 -0.002 0.000 1.890 668 C HN 0.604 8.834 8.230 -0.000 0.000 0.551 669 R N -0.345 120.099 120.500 -0.093 0.000 2.544 669 R HA 0.303 4.202 4.340 -0.735 0.000 0.303 669 R C 1.471 177.675 176.300 -0.161 0.000 0.939 669 R CA 0.848 56.874 56.100 -0.124 0.000 1.102 669 R CB 0.427 30.630 30.300 -0.162 0.000 1.440 669 R HN 0.602 8.872 8.270 -0.000 0.000 0.532 670 G N 0.059 108.758 108.800 -0.170 0.000 2.157 670 G HA2 -0.169 3.350 3.960 -0.735 0.000 0.248 670 G HA3 -0.169 3.350 3.960 -0.735 0.000 0.248 670 G C 0.180 174.855 174.900 -0.374 0.000 0.979 670 G CA 0.120 45.111 45.100 -0.182 0.000 0.650 670 G HN 0.825 9.115 8.290 -0.000 0.000 0.529 671 G N -2.377 106.010 108.800 -0.687 0.000 2.341 671 G HA2 0.531 4.050 3.960 -0.735 0.000 0.293 671 G HA3 0.531 4.050 3.960 -0.735 0.000 0.293 671 G C -0.889 173.534 174.900 -0.796 0.000 1.298 671 G CA 0.501 44.858 45.100 -1.237 0.000 0.868 671 G HN 1.913 10.203 8.290 -0.000 0.000 0.540 672 C N 2.074 121.068 119.300 -0.510 0.000 2.968 672 C HA 0.635 4.654 4.460 -0.735 0.000 0.389 672 C C -2.576 172.325 174.990 -0.148 0.000 1.068 672 C CA -0.971 57.911 59.018 -0.227 0.000 1.272 672 C CB 0.933 28.574 27.740 -0.165 0.000 1.711 672 C HN 0.724 8.954 8.230 -0.000 0.000 0.501 673 P HA 0.412 4.832 4.420 -0.000 0.000 0.267 673 P C -0.636 176.539 177.300 -0.207 0.000 1.205 673 P CA 0.573 63.237 63.100 -0.725 0.000 0.765 673 P CB 1.169 32.256 31.700 -1.022 0.000 0.828 674 A N 2.415 125.183 122.820 -0.086 0.000 2.488 674 A HA 0.416 4.295 4.320 -0.735 0.000 0.298 674 A C -1.164 176.465 177.584 0.075 0.000 1.044 674 A CA -0.548 51.537 52.037 0.081 0.000 0.693 674 A CB 1.309 20.488 19.000 0.299 0.000 1.272 674 A HN 0.451 8.601 8.150 -0.000 0.000 0.402 675 D N 1.925 122.361 120.400 0.059 0.000 2.467 675 D HA 0.165 4.364 4.640 -0.735 0.000 0.220 675 D C 0.781 177.205 176.300 0.207 0.000 1.103 675 D CA -0.517 53.553 54.000 0.117 0.000 0.886 675 D CB 0.310 41.133 40.800 0.038 0.000 1.025 675 D HN 0.577 8.947 8.370 -0.000 0.000 0.514 676 W N 3.890 125.219 121.300 0.048 0.000 2.321 676 W HA -0.278 3.941 4.660 -0.735 0.000 0.306 676 W C 1.709 178.258 176.519 0.050 0.000 1.217 676 W CA 1.315 58.678 57.345 0.030 0.000 1.257 676 W CB -0.002 29.458 29.460 -0.001 0.000 1.145 676 W HN 0.308 8.488 8.180 -0.000 0.000 0.509 677 V N -0.539 119.672 119.914 0.494 0.000 2.380 677 V HA -0.332 3.347 4.120 -0.735 0.000 0.251 677 V C 1.594 177.813 176.094 0.207 0.000 1.063 677 V CA 2.178 64.710 62.300 0.386 0.000 1.055 677 V CB -0.983 31.070 31.823 0.384 0.000 0.657 677 V HN 0.318 8.508 8.190 -0.000 0.000 0.455 678 W N -1.318 119.974 121.300 -0.013 0.000 2.704 678 W HA 0.216 4.434 4.660 -0.737 0.000 0.266 678 W C 2.206 178.623 176.519 -0.169 0.000 1.266 678 W CA 0.031 57.334 57.345 -0.069 0.000 1.377 678 W CB -0.070 29.369 29.460 -0.035 0.000 1.082 678 W HN 0.085 8.265 8.180 -0.000 0.000 0.608 679 I N -0.132 120.413 120.570 -0.042 0.000 2.286 679 I HA -0.095 3.634 4.170 -0.735 0.000 0.245 679 I C 0.687 176.608 176.117 -0.327 0.000 1.104 679 I CA 0.813 61.959 61.300 -0.256 0.000 1.397 679 I CB -1.591 36.180 38.000 -0.382 0.000 1.072 679 I HN -0.424 7.786 8.210 -0.000 0.000 0.417 680 V N 3.966 123.592 119.914 -0.480 0.000 2.529 680 V HA 0.041 3.720 4.120 -0.735 0.000 0.292 680 V C -1.876 174.035 176.094 -0.305 0.000 1.028 680 V CA -0.925 61.076 62.300 -0.497 0.000 1.074 680 V CB -0.154 31.136 31.823 -0.889 0.000 0.958 680 V HN 0.137 8.327 8.190 -0.000 0.000 0.481 681 P HA 0.093 4.513 4.420 -0.000 0.000 0.268 681 P C -1.807 175.355 177.300 -0.231 0.000 1.208 681 P CA -0.986 61.981 63.100 -0.222 0.000 0.777 681 P CB 0.056 31.627 31.700 -0.215 0.000 0.875 682 P HA -0.005 4.415 4.420 -0.000 0.000 0.242 682 P C -0.038 177.144 177.300 -0.197 0.000 1.197 682 P CA 1.125 64.100 63.100 -0.208 0.000 0.765 682 P CB 0.010 31.581 31.700 -0.214 0.000 0.936 683 M N -4.984 114.463 119.600 -0.256 0.000 2.575 683 M HA 0.522 4.561 4.480 -0.735 0.000 0.284 683 M C -0.203 175.972 176.300 -0.209 0.000 1.253 683 M CA -0.673 54.491 55.300 -0.226 0.000 0.861 683 M CB 1.881 34.319 32.600 -0.270 0.000 1.733 683 M HN -0.386 7.904 8.290 -0.000 0.000 0.462 684 S N 0.487 116.122 115.700 -0.107 0.000 3.477 684 S HA -0.195 3.834 4.470 -0.735 0.000 0.357 684 S C 1.144 175.716 174.600 -0.046 0.000 1.083 684 S CA 0.908 59.090 58.200 -0.031 0.000 1.042 684 S CB -2.024 61.235 63.200 0.099 0.000 0.911 684 S HN 1.224 9.534 8.310 -0.000 0.000 0.490 685 G N 2.440 111.186 108.800 -0.090 0.000 2.766 685 G HA2 -0.381 3.137 3.960 -0.735 0.000 0.222 685 G HA3 -0.381 3.137 3.960 -0.735 0.000 0.222 685 G C 1.446 176.229 174.900 -0.196 0.000 1.225 685 G CA 1.758 46.817 45.100 -0.069 0.000 0.784 685 G HN 1.367 9.657 8.290 -0.000 0.000 0.631 686 S N -0.009 115.281 115.700 -0.683 0.000 2.595 686 S HA 0.107 4.136 4.470 -0.735 0.000 0.235 686 S C 1.919 176.463 174.600 -0.092 0.000 0.974 686 S CA 0.592 58.239 58.200 -0.921 0.000 0.942 686 S CB -0.030 62.405 63.200 -1.275 0.000 0.766 686 S HN 0.204 8.514 8.310 -0.000 0.000 0.536 687 I N 2.741 123.309 120.570 -0.004 0.000 3.419 687 I HA 0.082 3.811 4.170 -0.735 0.000 0.286 687 I C 1.298 177.546 176.117 0.219 0.000 1.268 687 I CA 0.521 61.899 61.300 0.129 0.000 1.414 687 I CB -1.531 36.560 38.000 0.152 0.000 1.074 687 I HN 0.495 8.705 8.210 -0.000 0.000 0.457 688 T N -1.052 113.628 114.554 0.209 0.000 2.928 688 T HA 0.352 4.260 4.350 -0.735 0.000 0.284 688 T C -1.435 173.441 174.700 0.293 0.000 1.008 688 T CA -1.661 60.577 62.100 0.231 0.000 1.057 688 T CB 2.202 71.160 68.868 0.149 0.000 1.018 688 T HN -0.091 8.149 8.240 -0.000 0.000 0.493 689 P HA -0.036 4.384 4.420 -0.000 0.000 0.222 689 P C 1.794 179.297 177.300 0.339 0.000 1.153 689 P CA 0.798 64.088 63.100 0.316 0.000 0.798 689 P CB -0.323 31.506 31.700 0.214 0.000 0.796 690 V N -3.567 116.491 119.914 0.241 0.000 2.594 690 V HA -0.196 3.483 4.120 -0.735 0.000 0.253 690 V C 2.366 178.542 176.094 0.136 0.000 1.069 690 V CA 1.176 63.581 62.300 0.175 0.000 1.082 690 V CB -2.277 29.566 31.823 0.033 0.000 0.680 690 V HN -0.112 8.078 8.190 -0.000 0.000 0.469 691 F N 1.759 121.696 119.950 -0.022 0.000 2.161 691 F HA -0.169 3.917 4.527 -0.736 0.000 0.300 691 F C 2.450 178.393 175.800 0.239 0.000 1.089 691 F CA 2.239 60.230 58.000 -0.015 0.000 1.282 691 F CB -0.240 38.633 39.000 -0.212 0.000 1.010 691 F HN 0.275 8.575 8.300 -0.000 0.000 0.485 692 H N -1.027 118.381 119.070 0.562 0.000 2.539 692 H HA 0.099 4.214 4.556 -0.735 0.000 0.267 692 H C 0.272 175.852 175.328 0.420 0.000 0.982 692 H CA 0.162 56.499 56.048 0.483 0.000 1.146 692 H CB -0.132 29.892 29.762 0.437 0.000 1.382 692 H HN 0.253 8.533 8.280 -0.000 0.000 0.577 693 Q N 2.061 122.146 119.800 0.475 0.000 2.331 693 Q HA 0.139 4.038 4.340 -0.735 0.000 0.257 693 Q C -0.559 175.674 176.000 0.388 0.000 0.957 693 Q CA -0.358 55.667 55.803 0.370 0.000 0.923 693 Q CB 0.706 29.631 28.738 0.311 0.000 1.212 693 Q HN 0.234 8.504 8.270 -0.000 0.000 0.443 694 E N 3.681 124.049 120.200 0.280 0.000 2.373 694 E HA 0.240 4.149 4.350 -0.735 0.000 0.267 694 E C -0.523 176.204 176.600 0.211 0.000 1.032 694 E CA 0.296 56.820 56.400 0.206 0.000 0.889 694 E CB 0.800 30.603 29.700 0.170 0.000 0.984 694 E HN 0.602 8.962 8.360 -0.000 0.000 0.425 695 M N 2.626 122.357 119.600 0.218 0.000 2.518 695 M HA 0.398 4.436 4.480 -0.735 0.000 0.300 695 M C -1.061 175.348 176.300 0.182 0.000 1.175 695 M CA -0.681 54.764 55.300 0.243 0.000 0.890 695 M CB 1.792 34.591 32.600 0.331 0.000 1.710 695 M HN 0.228 8.518 8.290 -0.000 0.000 0.453 696 L N 1.927 123.270 121.223 0.199 0.000 2.313 696 L HA 0.500 4.399 4.340 -0.735 0.000 0.283 696 L C -0.436 176.506 176.870 0.120 0.000 1.013 696 L CA -0.396 54.560 54.840 0.194 0.000 0.816 696 L CB 1.516 43.745 42.059 0.282 0.000 1.236 696 L HN 0.714 8.944 8.230 -0.000 0.000 0.419 697 N N 2.999 121.761 118.700 0.103 0.000 2.419 697 N HA 0.540 4.839 4.740 -0.735 0.000 0.277 697 N C -1.677 173.895 175.510 0.103 0.000 1.006 697 N CA -0.404 52.641 53.050 -0.009 0.000 0.923 697 N CB 1.240 39.744 38.487 0.028 0.000 1.140 697 N HN 0.479 8.859 8.380 -0.000 0.000 0.488 698 Y N -0.005 120.314 120.300 0.032 0.000 2.656 698 Y HA 0.474 4.583 4.550 -0.735 0.000 0.334 698 Y C -1.314 174.590 175.900 0.008 0.000 1.179 698 Y CA -1.349 56.767 58.100 0.026 0.000 1.050 698 Y CB 0.790 39.280 38.460 0.049 0.000 1.308 698 Y HN 0.196 8.476 8.280 -0.000 0.000 0.456 699 R N 2.337 122.958 120.500 0.201 0.000 2.295 699 R HA 0.661 4.560 4.340 -0.735 0.000 0.324 699 R C -1.375 175.000 176.300 0.124 0.000 0.968 699 R CA -0.681 55.475 56.100 0.093 0.000 0.837 699 R CB 1.476 31.804 30.300 0.046 0.000 1.133 699 R HN 0.672 8.942 8.270 -0.000 0.000 0.450 700 L N 1.207 122.477 121.223 0.079 0.000 2.342 700 L HA 0.525 4.424 4.340 -0.735 0.000 0.271 700 L C 0.373 177.255 176.870 0.019 0.000 1.008 700 L CA -0.774 54.109 54.840 0.071 0.000 0.818 700 L CB 2.198 44.304 42.059 0.077 0.000 1.296 700 L HN 0.499 8.729 8.230 -0.000 0.000 0.427 701 T N 1.404 115.978 114.554 0.033 0.000 2.912 701 T HA 0.557 4.466 4.350 -0.735 0.000 0.288 701 T C -2.602 172.137 174.700 0.065 0.000 1.030 701 T CA -1.864 60.245 62.100 0.015 0.000 1.020 701 T CB 1.919 70.800 68.868 0.021 0.000 1.056 701 T HN 0.229 8.469 8.240 -0.000 0.000 0.480 702 P HA 0.244 4.664 4.420 -0.000 0.000 0.268 702 P C -1.116 176.087 177.300 -0.161 0.000 1.208 702 P CA -0.054 62.998 63.100 -0.081 0.000 0.777 702 P CB 0.474 32.111 31.700 -0.105 0.000 0.875 703 S N 0.505 116.060 115.700 -0.242 0.000 2.625 703 S HA 0.669 4.698 4.470 -0.735 0.000 0.271 703 S C -1.366 172.996 174.600 -0.398 0.000 1.161 703 S CA -0.837 57.197 58.200 -0.276 0.000 0.820 703 S CB 0.783 63.905 63.200 -0.129 0.000 1.137 703 S HN 0.127 8.437 8.310 -0.000 0.000 0.470 704 F N 1.204 121.083 119.950 -0.119 0.000 2.420 704 F HA 0.637 4.722 4.527 -0.736 0.000 0.342 704 F C 0.777 176.474 175.800 -0.172 0.000 1.113 704 F CA -0.320 57.607 58.000 -0.121 0.000 1.059 704 F CB 1.510 40.416 39.000 -0.156 0.000 1.128 704 F HN 0.496 8.796 8.300 -0.000 0.000 0.475 705 E N 2.047 122.271 120.200 0.040 0.000 2.336 705 E HA 0.287 4.196 4.350 -0.735 0.000 0.267 705 E C -1.245 175.321 176.600 -0.055 0.000 0.906 705 E CA -0.892 55.465 56.400 -0.072 0.000 0.781 705 E CB 2.109 31.799 29.700 -0.017 0.000 1.261 705 E HN 0.500 8.860 8.360 -0.000 0.000 0.436 706 Y N 0.911 121.217 120.300 0.010 0.000 2.299 706 Y HA 0.147 4.255 4.550 -0.737 0.000 0.335 706 Y C 1.008 176.890 175.900 -0.029 0.000 1.287 706 Y CA -0.070 58.021 58.100 -0.014 0.000 1.424 706 Y CB 1.000 39.442 38.460 -0.030 0.000 1.326 706 Y HN 0.303 8.583 8.280 -0.000 0.000 0.567 707 Q N 0.990 120.869 119.800 0.131 0.000 2.391 707 Q HA 0.499 4.398 4.340 -0.735 0.000 0.279 707 Q C -3.156 172.792 176.000 -0.087 0.000 1.028 707 Q CA -2.391 53.417 55.803 0.009 0.000 0.836 707 Q CB 1.745 30.477 28.738 -0.010 0.000 1.414 707 Q HN 0.301 8.571 8.270 -0.000 0.000 0.397 708 P HA 0.017 4.437 4.420 -0.000 0.000 0.265 708 P C -0.916 176.155 177.300 -0.382 0.000 1.187 708 P CA 0.173 63.143 63.100 -0.217 0.000 0.766 708 P CB 0.373 31.968 31.700 -0.176 0.000 0.820 709 D N 4.062 124.123 120.400 -0.565 0.000 2.458 709 D HA -0.024 4.175 4.640 -0.735 0.000 0.243 709 D C -0.966 174.679 176.300 -1.091 0.000 1.146 709 D CA -1.093 52.276 54.000 -1.052 0.000 0.877 709 D CB 0.509 40.311 40.800 -1.663 0.000 1.176 709 D HN 0.272 8.642 8.370 -0.000 0.000 0.461 710 P HA -0.176 4.244 4.420 -0.000 0.000 0.216 710 P C 1.396 178.185 177.300 -0.852 0.000 1.153 710 P CA 1.383 63.877 63.100 -1.010 0.000 0.858 710 P CB -0.240 30.552 31.700 -1.513 0.000 0.789 711 W N 0.773 121.573 121.300 -0.835 0.000 2.560 711 W HA 0.011 4.226 4.660 -0.742 0.000 0.252 711 W C 0.939 177.458 176.519 -0.000 0.000 1.242 711 W CA 0.453 57.644 57.345 -0.258 0.000 1.242 711 W CB -2.075 27.395 29.460 0.018 0.000 1.136 711 W HN -0.099 8.081 8.180 -0.000 0.000 0.625 712 N N -0.212 118.399 118.700 -0.148 0.000 2.236 712 N HA 0.062 4.361 4.740 -0.735 0.000 0.196 712 N C 0.683 176.179 175.510 -0.023 0.000 1.114 712 N CA 1.114 54.157 53.050 -0.012 0.000 0.859 712 N CB 0.461 38.883 38.487 -0.109 0.000 0.982 712 N HN 0.226 8.606 8.380 -0.000 0.000 0.493 713 T N -1.758 112.765 114.554 -0.052 0.000 3.010 713 T HA 0.019 3.928 4.350 -0.735 0.000 0.252 713 T C 0.254 174.990 174.700 0.059 0.000 0.963 713 T CA -0.205 61.883 62.100 -0.020 0.000 0.952 713 T CB 0.459 69.277 68.868 -0.083 0.000 1.182 713 T HN 0.163 8.403 8.240 -0.000 0.000 0.495 714 H N 2.180 121.232 119.070 -0.029 0.000 2.928 714 H HA 0.395 4.512 4.556 -0.732 0.000 0.338 714 H C -0.520 174.846 175.328 0.063 0.000 1.047 714 H CA -0.060 55.982 56.048 -0.009 0.000 1.435 714 H CB 0.589 30.361 29.762 0.017 0.000 1.428 714 H HN 0.042 8.322 8.280 -0.000 0.000 0.590 715 V N 8.081 127.679 119.914 -0.527 0.000 2.305 715 V HA 0.239 3.918 4.120 -0.735 0.000 0.275 715 V C -0.893 174.892 176.094 -0.516 0.000 1.020 715 V CA -0.630 61.497 62.300 -0.287 0.000 0.811 715 V CB -0.550 31.212 31.823 -0.101 0.000 1.031 715 V HN 0.752 8.942 8.190 -0.000 0.000 0.439 716 W N 0.000 121.020 121.300 -0.467 0.000 2.388 716 W HA 0.000 4.215 4.660 -0.742 0.000 0.303 716 W CA 0.000 57.194 57.345 -0.252 0.000 1.226 716 W CB 0.000 29.429 29.460 -0.052 0.000 1.126 716 W HN 0.000 8.180 8.180 -0.000 0.000 0.535